data_19443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19443 _Entry.Title ; 1H, 13C and 15N Backbone Assignment of the EC-1 Domain of Human E-Cadherin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-20 _Entry.Accession_date 2013-08-20 _Entry.Last_release_date 2013-08-21 _Entry.Original_release_date 2013-08-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vivitri Prasasty . D. . . 19443 2 Mary Krause . E. . . 19443 3 Teruna Siahaan . J. . . 19443 4 Jennifer Laurence . . . . 19443 5 Usman Tambunan . S. . . 19443 6 Asokan Anbanandam . . . . 19443 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The University of Kansas' . 19443 2 . 'University of Indonesia' . 19443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 19443 '15N chemical shifts' 117 19443 '1H chemical shifts' 117 19443 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 3 . . 2017-02-28 2013-08-20 update BMRB 'update entry citation' 19443 2 . . 2014-05-05 2013-08-20 update BMRB 'update entry citation' 19443 1 . . 2013-09-19 2013-08-20 original author 'original release' 19443 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19443 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24510398 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C and (15)N backbone assignment of the EC-1 domain of human E-cadherin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 31 _Citation.Page_last 35 _Citation.Year 2015 _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 Vivitri Prasasty . D. . . 19443 1 2 Mary Krause . E. . . 19443 1 3 Usman Tambunan . S.F. . . 19443 1 4 Asokan Anbanandam . . . . 19443 1 5 Jennifer Laurence . S. . . 19443 1 6 Teruna Siahaan . J. . . 19443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19443 _Assembly.ID 1 _Assembly.Name EC1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EC1 1 $entity_1 A . yes native no no . . . 19443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EC1 _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 ; DWVIPPISCPENEKGPFPKN LVQIKSNKDKEGKVFYSITG QGADTPPVGVFIIERETGWL KVTEPLDRERIATYTLFSHA VSSNGNAVEDPMEILITVTD QNDNKPEFTQEVFKGSVMEG ALPGTSVMEVTATDADDD ; _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 'free disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium-dependent cell-cell adhesion' 19443 1 'trans-membrane, and extracellular (EC) protein' 19443 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 . ASP . 19443 1 2 . TRP . 19443 1 3 . VAL . 19443 1 4 . ILE . 19443 1 5 . PRO . 19443 1 6 . PRO . 19443 1 7 . ILE . 19443 1 8 . SER . 19443 1 9 . CYS . 19443 1 10 . PRO . 19443 1 11 . GLU . 19443 1 12 . ASN . 19443 1 13 . GLU . 19443 1 14 . LYS . 19443 1 15 . GLY . 19443 1 16 . PRO . 19443 1 17 . PHE . 19443 1 18 . PRO . 19443 1 19 . LYS . 19443 1 20 . ASN . 19443 1 21 . LEU . 19443 1 22 . VAL . 19443 1 23 . GLN . 19443 1 24 . ILE . 19443 1 25 . LYS . 19443 1 26 . SER . 19443 1 27 . ASN . 19443 1 28 . LYS . 19443 1 29 . ASP . 19443 1 30 . LYS . 19443 1 31 . GLU . 19443 1 32 . GLY . 19443 1 33 . LYS . 19443 1 34 . VAL . 19443 1 35 . PHE . 19443 1 36 . TYR . 19443 1 37 . SER . 19443 1 38 . ILE . 19443 1 39 . THR . 19443 1 40 . GLY . 19443 1 41 . GLN . 19443 1 42 . GLY . 19443 1 43 . ALA . 19443 1 44 . ASP . 19443 1 45 . THR . 19443 1 46 . PRO . 19443 1 47 . PRO . 19443 1 48 . VAL . 19443 1 49 . GLY . 19443 1 50 . VAL . 19443 1 51 . PHE . 19443 1 52 . ILE . 19443 1 53 . ILE . 19443 1 54 . GLU . 19443 1 55 . ARG . 19443 1 56 . GLU . 19443 1 57 . THR . 19443 1 58 . GLY . 19443 1 59 . TRP . 19443 1 60 . LEU . 19443 1 61 . LYS . 19443 1 62 . VAL . 19443 1 63 . THR . 19443 1 64 . GLU . 19443 1 65 . PRO . 19443 1 66 . LEU . 19443 1 67 . ASP . 19443 1 68 . ARG . 19443 1 69 . GLU . 19443 1 70 . ARG . 19443 1 71 . ILE . 19443 1 72 . ALA . 19443 1 73 . THR . 19443 1 74 . TYR . 19443 1 75 . THR . 19443 1 76 . LEU . 19443 1 77 . PHE . 19443 1 78 . SER . 19443 1 79 . HIS . 19443 1 80 . ALA . 19443 1 81 . VAL . 19443 1 82 . SER . 19443 1 83 . SER . 19443 1 84 . ASN . 19443 1 85 . GLY . 19443 1 86 . ASN . 19443 1 87 . ALA . 19443 1 88 . VAL . 19443 1 89 . GLU . 19443 1 90 . ASP . 19443 1 91 . PRO . 19443 1 92 . MET . 19443 1 93 . GLU . 19443 1 94 . ILE . 19443 1 95 . LEU . 19443 1 96 . ILE . 19443 1 97 . THR . 19443 1 98 . VAL . 19443 1 99 . THR . 19443 1 100 . ASP . 19443 1 101 . GLN . 19443 1 102 . ASN . 19443 1 103 . ASP . 19443 1 104 . ASN . 19443 1 105 . LYS . 19443 1 106 . PRO . 19443 1 107 . GLU . 19443 1 108 . PHE . 19443 1 109 . THR . 19443 1 110 . GLN . 19443 1 111 . GLU . 19443 1 112 . VAL . 19443 1 113 . PHE . 19443 1 114 . LYS . 19443 1 115 . GLY . 19443 1 116 . SER . 19443 1 117 . VAL . 19443 1 118 . MET . 19443 1 119 . GLU . 19443 1 120 . GLY . 19443 1 121 . ALA . 19443 1 122 . LEU . 19443 1 123 . PRO . 19443 1 124 . GLY . 19443 1 125 . THR . 19443 1 126 . SER . 19443 1 127 . VAL . 19443 1 128 . MET . 19443 1 129 . GLU . 19443 1 130 . VAL . 19443 1 131 . THR . 19443 1 132 . ALA . 19443 1 133 . THR . 19443 1 134 . ASP . 19443 1 135 . ALA . 19443 1 136 . ASP . 19443 1 137 . ASP . 19443 1 138 . ASP . 19443 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 . ASP 1 1 19443 1 . TRP 2 2 19443 1 . VAL 3 3 19443 1 . ILE 4 4 19443 1 . PRO 5 5 19443 1 . PRO 6 6 19443 1 . ILE 7 7 19443 1 . SER 8 8 19443 1 . CYS 9 9 19443 1 . PRO 10 10 19443 1 . GLU 11 11 19443 1 . ASN 12 12 19443 1 . GLU 13 13 19443 1 . LYS 14 14 19443 1 . GLY 15 15 19443 1 . PRO 16 16 19443 1 . PHE 17 17 19443 1 . PRO 18 18 19443 1 . LYS 19 19 19443 1 . ASN 20 20 19443 1 . LEU 21 21 19443 1 . VAL 22 22 19443 1 . GLN 23 23 19443 1 . ILE 24 24 19443 1 . LYS 25 25 19443 1 . SER 26 26 19443 1 . ASN 27 27 19443 1 . LYS 28 28 19443 1 . ASP 29 29 19443 1 . LYS 30 30 19443 1 . GLU 31 31 19443 1 . GLY 32 32 19443 1 . LYS 33 33 19443 1 . VAL 34 34 19443 1 . PHE 35 35 19443 1 . TYR 36 36 19443 1 . SER 37 37 19443 1 . ILE 38 38 19443 1 . THR 39 39 19443 1 . GLY 40 40 19443 1 . GLN 41 41 19443 1 . GLY 42 42 19443 1 . ALA 43 43 19443 1 . ASP 44 44 19443 1 . THR 45 45 19443 1 . PRO 46 46 19443 1 . PRO 47 47 19443 1 . VAL 48 48 19443 1 . GLY 49 49 19443 1 . VAL 50 50 19443 1 . PHE 51 51 19443 1 . ILE 52 52 19443 1 . ILE 53 53 19443 1 . GLU 54 54 19443 1 . ARG 55 55 19443 1 . GLU 56 56 19443 1 . THR 57 57 19443 1 . GLY 58 58 19443 1 . TRP 59 59 19443 1 . LEU 60 60 19443 1 . LYS 61 61 19443 1 . VAL 62 62 19443 1 . THR 63 63 19443 1 . GLU 64 64 19443 1 . PRO 65 65 19443 1 . LEU 66 66 19443 1 . ASP 67 67 19443 1 . ARG 68 68 19443 1 . GLU 69 69 19443 1 . ARG 70 70 19443 1 . ILE 71 71 19443 1 . ALA 72 72 19443 1 . THR 73 73 19443 1 . TYR 74 74 19443 1 . THR 75 75 19443 1 . LEU 76 76 19443 1 . PHE 77 77 19443 1 . SER 78 78 19443 1 . HIS 79 79 19443 1 . ALA 80 80 19443 1 . VAL 81 81 19443 1 . SER 82 82 19443 1 . SER 83 83 19443 1 . ASN 84 84 19443 1 . GLY 85 85 19443 1 . ASN 86 86 19443 1 . ALA 87 87 19443 1 . VAL 88 88 19443 1 . GLU 89 89 19443 1 . ASP 90 90 19443 1 . PRO 91 91 19443 1 . MET 92 92 19443 1 . GLU 93 93 19443 1 . ILE 94 94 19443 1 . LEU 95 95 19443 1 . ILE 96 96 19443 1 . THR 97 97 19443 1 . VAL 98 98 19443 1 . THR 99 99 19443 1 . ASP 100 100 19443 1 . GLN 101 101 19443 1 . ASN 102 102 19443 1 . ASP 103 103 19443 1 . ASN 104 104 19443 1 . LYS 105 105 19443 1 . PRO 106 106 19443 1 . GLU 107 107 19443 1 . PHE 108 108 19443 1 . THR 109 109 19443 1 . GLN 110 110 19443 1 . GLU 111 111 19443 1 . VAL 112 112 19443 1 . PHE 113 113 19443 1 . LYS 114 114 19443 1 . GLY 115 115 19443 1 . SER 116 116 19443 1 . VAL 117 117 19443 1 . MET 118 118 19443 1 . GLU 119 119 19443 1 . GLY 120 120 19443 1 . ALA 121 121 19443 1 . LEU 122 122 19443 1 . PRO 123 123 19443 1 . GLY 124 124 19443 1 . THR 125 125 19443 1 . SER 126 126 19443 1 . VAL 127 127 19443 1 . MET 128 128 19443 1 . GLU 129 129 19443 1 . VAL 130 130 19443 1 . THR 131 131 19443 1 . ALA 132 132 19443 1 . THR 133 133 19443 1 . ASP 134 134 19443 1 . ALA 135 135 19443 1 . ASP 136 136 19443 1 . ASP 137 137 19443 1 . ASP 138 138 19443 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19443 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19443 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19443 _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 . . . . pASK-IBA6 . . . 19443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19443 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'potassium phosphate, KCl, CaCl2, DTT' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 19443 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19443 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19443 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 19443 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 19443 1 pressure 1 . atm 19443 1 temperature 298 0.2 K 19443 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19443 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19443 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19443 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19443 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19443 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19443 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19443 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19443 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19443 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19443 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19443 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19443 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19443 1 2 '3D HNCACB' . . . 19443 1 3 '3D HN(COCA)CB' . . . 19443 1 4 '3D HNCO' . . . 19443 1 5 '3D HNCA' . . . 19443 1 6 '3D HN(CO)CA' . . . 19443 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP H H 1 8.740 . . . . . . . 1 D HN . 19443 1 2 . 1 1 1 1 ASP C C 13 175.850 . . . . . . . 1 D CO . 19443 1 3 . 1 1 1 1 ASP CA C 13 53.200 . . . . . . . 1 D CA . 19443 1 4 . 1 1 1 1 ASP CB C 13 45.400 . . . . . . . 1 D CB . 19443 1 5 . 1 1 1 1 ASP N N 15 120.513 . . . . . . . 1 D N . 19443 1 6 . 1 1 2 2 TRP H H 1 8.347 . . . . . . . 2 W HN . 19443 1 7 . 1 1 2 2 TRP C C 13 172.990 . . . . . . . 2 W CO . 19443 1 8 . 1 1 2 2 TRP CA C 13 54.750 . . . . . . . 2 W CA . 19443 1 9 . 1 1 2 2 TRP CB C 13 41.660 . . . . . . . 2 W CB . 19443 1 10 . 1 1 2 2 TRP N N 15 122.791 . . . . . . . 2 W N . 19443 1 11 . 1 1 3 3 VAL H H 1 7.930 . . . . . . . 3 V HN . 19443 1 12 . 1 1 3 3 VAL C C 13 173.870 . . . . . . . 3 V CO . 19443 1 13 . 1 1 3 3 VAL CA C 13 61.680 . . . . . . . 3 V CA . 19443 1 14 . 1 1 3 3 VAL CB C 13 32.900 . . . . . . . 3 V CB . 19443 1 15 . 1 1 3 3 VAL N N 15 121.090 . . . . . . . 3 V N . 19443 1 16 . 1 1 4 4 ILE H H 1 7.891 . . . . . . . 4 I HN . 19443 1 17 . 1 1 4 4 ILE C C 13 175.059 . . . . . . . 4 I CO . 19443 1 18 . 1 1 4 4 ILE CA C 13 55.829 . . . . . . . 4 I CA . 19443 1 19 . 1 1 4 4 ILE CB C 13 35.902 . . . . . . . 4 I CB . 19443 1 20 . 1 1 4 4 ILE N N 15 125.661 . . . . . . . 4 I N . 19443 1 21 . 1 1 7 7 ILE H H 1 8.515 . . . . . . . 7 I HN . 19443 1 22 . 1 1 7 7 ILE C C 13 174.850 . . . . . . . 7 I CO . 19443 1 23 . 1 1 7 7 ILE CA C 13 63.300 . . . . . . . 7 I CA . 19443 1 24 . 1 1 7 7 ILE CB C 13 40.480 . . . . . . . 7 I CB . 19443 1 25 . 1 1 7 7 ILE N N 15 123.470 . . . . . . . 7 I N . 19443 1 26 . 1 1 8 8 SER H H 1 8.500 . . . . . . . 8 S HN . 19443 1 27 . 1 1 8 8 SER C C 13 173.680 . . . . . . . 8 S CO . 19443 1 28 . 1 1 8 8 SER CA C 13 56.870 . . . . . . . 8 S CA . 19443 1 29 . 1 1 8 8 SER CB C 13 65.120 . . . . . . . 8 S CB . 19443 1 30 . 1 1 8 8 SER N N 15 122.090 . . . . . . . 8 S N . 19443 1 31 . 1 1 9 9 CYS H H 1 8.812 . . . . . . . 9 C HN . 19443 1 32 . 1 1 9 9 CYS C C 13 173.780 . . . . . . . 9 C CO . 19443 1 33 . 1 1 9 9 CYS CA C 13 55.670 . . . . . . . 9 C CA . 19443 1 34 . 1 1 9 9 CYS CB C 13 30.320 . . . . . . . 9 C CB . 19443 1 35 . 1 1 9 9 CYS N N 15 123.920 . . . . . . . 9 C N . 19443 1 36 . 1 1 11 11 GLU H H 1 8.229 . . . . . . . 11 E HN . 19443 1 37 . 1 1 11 11 GLU C C 13 175.850 . . . . . . . 11 E CO . 19443 1 38 . 1 1 11 11 GLU CA C 13 56.340 . . . . . . . 11 E CA . 19443 1 39 . 1 1 11 11 GLU CB C 13 29.210 . . . . . . . 11 E CB . 19443 1 40 . 1 1 11 11 GLU N N 15 122.930 . . . . . . . 11 E N . 19443 1 41 . 1 1 12 12 ASN H H 1 8.878 . . . . . . . 12 N HN . 19443 1 42 . 1 1 12 12 ASN C C 13 175.968 . . . . . . . 12 N CO . 19443 1 43 . 1 1 12 12 ASN CA C 13 53.593 . . . . . . . 12 N CA . 19443 1 44 . 1 1 12 12 ASN CB C 13 40.990 . . . . . . . 12 N CB . 19443 1 45 . 1 1 12 12 ASN N N 15 116.890 . . . . . . . 12 N N . 19443 1 46 . 1 1 13 13 GLU H H 1 8.778 . . . . . . . 13 E HN . 19443 1 47 . 1 1 13 13 GLU C C 13 174.750 . . . . . . . 13 E CO . 19443 1 48 . 1 1 13 13 GLU CA C 13 58.540 . . . . . . . 13 E CA . 19443 1 49 . 1 1 13 13 GLU CB C 13 31.110 . . . . . . . 13 E CB . 19443 1 50 . 1 1 13 13 GLU N N 15 118.880 . . . . . . . 13 E N . 19443 1 51 . 1 1 14 14 LYS H H 1 8.020 . . . . . . . 14 K HN . 19443 1 52 . 1 1 14 14 LYS C C 13 176.840 . . . . . . . 14 K CO . 19443 1 53 . 1 1 14 14 LYS CA C 13 54.600 . . . . . . . 14 K CA . 19443 1 54 . 1 1 14 14 LYS CB C 13 34.200 . . . . . . . 14 K CB . 19443 1 55 . 1 1 14 14 LYS N N 15 118.080 . . . . . . . 14 K N . 19443 1 56 . 1 1 15 15 GLY H H 1 8.354 . . . . . . . 15 G HN . 19443 1 57 . 1 1 15 15 GLY CA C 13 44.730 . . . . . . . 15 G CA . 19443 1 58 . 1 1 15 15 GLY N N 15 110.810 . . . . . . . 15 G N . 19443 1 59 . 1 1 17 17 PHE H H 1 8.558 . . . . . . . 17 F HN . 19443 1 60 . 1 1 17 17 PHE CA C 13 56.420 . . . . . . . 17 F CA . 19443 1 61 . 1 1 17 17 PHE CB C 13 41.470 . . . . . . . 17 F CB . 19443 1 62 . 1 1 17 17 PHE N N 15 119.870 . . . . . . . 17 F N . 19443 1 63 . 1 1 19 19 LYS H H 1 8.620 . . . . . . . 19 K HN . 19443 1 64 . 1 1 19 19 LYS C C 13 175.850 . . . . . . . 19 K CO . 19443 1 65 . 1 1 19 19 LYS CA C 13 56.340 . . . . . . . 19 K CA . 19443 1 66 . 1 1 19 19 LYS CB C 13 29.210 . . . . . . . 19 K CB . 19443 1 67 . 1 1 19 19 LYS N N 15 118.450 . . . . . . . 19 K N . 19443 1 68 . 1 1 20 20 ASN H H 1 8.489 . . . . . . . 20 N HN . 19443 1 69 . 1 1 20 20 ASN C C 13 175.060 . . . . . . . 20 N CO . 19443 1 70 . 1 1 20 20 ASN CA C 13 54.020 . . . . . . . 20 N CA . 19443 1 71 . 1 1 20 20 ASN CB C 13 41.030 . . . . . . . 20 N CB . 19443 1 72 . 1 1 20 20 ASN N N 15 123.550 . . . . . . . 20 N N . 19443 1 73 . 1 1 21 21 LEU H H 1 9.218 . . . . . . . 21 L HN . 19443 1 74 . 1 1 21 21 LEU N N 15 116.820 . . . . . . . 21 L N . 19443 1 75 . 1 1 22 22 VAL H H 1 8.261 . . . . . . . 22 V HN . 19443 1 76 . 1 1 22 22 VAL C C 13 177.370 . . . . . . . 22 V CO . 19443 1 77 . 1 1 22 22 VAL CA C 13 52.610 . . . . . . . 22 V CA . 19443 1 78 . 1 1 22 22 VAL N N 15 115.100 . . . . . . . 22 V N . 19443 1 79 . 1 1 23 23 GLN H H 1 8.523 . . . . . . . 23 Q HN . 19443 1 80 . 1 1 23 23 GLN C C 13 176.210 . . . . . . . 23 Q CO . 19443 1 81 . 1 1 23 23 GLN CA C 13 56.660 . . . . . . . 23 Q CA . 19443 1 82 . 1 1 23 23 GLN CB C 13 30.160 . . . . . . . 23 Q CB . 19443 1 83 . 1 1 23 23 GLN N N 15 120.830 . . . . . . . 23 Q N . 19443 1 84 . 1 1 24 24 ILE H H 1 8.077 . . . . . . . 24 I HN . 19443 1 85 . 1 1 24 24 ILE C C 13 175.830 . . . . . . . 24 I CO . 19443 1 86 . 1 1 24 24 ILE CA C 13 62.500 . . . . . . . 24 I CA . 19443 1 87 . 1 1 24 24 ILE CB C 13 34.250 . . . . . . . 24 I CB . 19443 1 88 . 1 1 24 24 ILE N N 15 121.380 . . . . . . . 24 I N . 19443 1 89 . 1 1 25 25 LYS H H 1 8.703 . . . . . . . 25 K HN . 19443 1 90 . 1 1 25 25 LYS CA C 13 57.220 . . . . . . . 25 K CA . 19443 1 91 . 1 1 25 25 LYS CB C 13 29.730 . . . . . . . 25 K CB . 19443 1 92 . 1 1 25 25 LYS N N 15 121.620 . . . . . . . 25 K N . 19443 1 93 . 1 1 26 26 SER H H 1 8.017 . . . . . . . 26 S HN . 19443 1 94 . 1 1 26 26 SER C C 13 176.840 . . . . . . . 26 S CO . 19443 1 95 . 1 1 26 26 SER CA C 13 61.890 . . . . . . . 26 S CA . 19443 1 96 . 1 1 26 26 SER N N 15 117.250 . . . . . . . 26 S N . 19443 1 97 . 1 1 27 27 ASN H H 1 8.689 . . . . . . . 27 N HN . 19443 1 98 . 1 1 27 27 ASN C C 13 173.656 . . . . . . . 27 N CO . 19443 1 99 . 1 1 27 27 ASN CA C 13 45.140 . . . . . . . 27 N CA . 19443 1 100 . 1 1 27 27 ASN N N 15 123.274 . . . . . . . 27 N N . 19443 1 101 . 1 1 28 28 LYS H H 1 8.253 . . . . . . . 28 K HN . 19443 1 102 . 1 1 28 28 LYS C C 13 175.850 . . . . . . . 28 K CO . 19443 1 103 . 1 1 28 28 LYS CA C 13 55.576 . . . . . . . 28 K CA . 19443 1 104 . 1 1 28 28 LYS N N 15 119.700 . . . . . . . 28 K N . 19443 1 105 . 1 1 29 29 ASP H H 1 7.908 . . . . . . . 29 D HN . 19443 1 106 . 1 1 29 29 ASP C C 13 176.780 . . . . . . . 29 D CO . 19443 1 107 . 1 1 29 29 ASP CA C 13 54.107 . . . . . . . 29 D CA . 19443 1 108 . 1 1 29 29 ASP N N 15 120.300 . . . . . . . 29 D N . 19443 1 109 . 1 1 30 30 LYS H H 1 7.966 . . . . . . . 30 K HN . 19443 1 110 . 1 1 30 30 LYS C C 13 174.710 . . . . . . . 30 K CO . 19443 1 111 . 1 1 30 30 LYS CA C 13 61.270 . . . . . . . 30 K CA . 19443 1 112 . 1 1 30 30 LYS CB C 13 32.420 . . . . . . . 30 K CB . 19443 1 113 . 1 1 30 30 LYS N N 15 120.100 . . . . . . . 30 K N . 19443 1 114 . 1 1 31 31 GLU H H 1 7.996 . . . . . . . 31 E HN . 19443 1 115 . 1 1 31 31 GLU C C 13 178.270 . . . . . . . 31 E CO . 19443 1 116 . 1 1 31 31 GLU CA C 13 53.920 . . . . . . . 31 E CA . 19443 1 117 . 1 1 31 31 GLU CB C 13 37.450 . . . . . . . 31 E CB . 19443 1 118 . 1 1 31 31 GLU N N 15 120.720 . . . . . . . 31 E N . 19443 1 119 . 1 1 32 32 GLY H H 1 7.223 . . . . . . . 32 G HN . 19443 1 120 . 1 1 32 32 GLY C C 13 171.560 . . . . . . . 32 G CO . 19443 1 121 . 1 1 32 32 GLY CA C 13 43.570 . . . . . . . 32 G CA . 19443 1 122 . 1 1 32 32 GLY N N 15 110.510 . . . . . . . 32 G N . 19443 1 123 . 1 1 33 33 LYS H H 1 7.167 . . . . . . . 33 K HN . 19443 1 124 . 1 1 33 33 LYS C C 13 178.345 . . . . . . . 33 K CO . 19443 1 125 . 1 1 33 33 LYS CB C 13 27.370 . . . . . . . 33 K CB . 19443 1 126 . 1 1 33 33 LYS N N 15 109.740 . . . . . . . 33 K N . 19443 1 127 . 1 1 34 34 VAL H H 1 8.007 . . . . . . . 34 V HN . 19443 1 128 . 1 1 34 34 VAL C C 13 173.503 . . . . . . . 34 V CO . 19443 1 129 . 1 1 34 34 VAL CA C 13 52.126 . . . . . . . 34 V CA . 19443 1 130 . 1 1 34 34 VAL N N 15 123.310 . . . . . . . 34 V N . 19443 1 131 . 1 1 35 35 PHE H H 1 8.390 . . . . . . . 35 F HN . 19443 1 132 . 1 1 35 35 PHE C C 13 175.060 . . . . . . . 35 F CO . 19443 1 133 . 1 1 35 35 PHE CA C 13 57.031 . . . . . . . 35 F CA . 19443 1 134 . 1 1 35 35 PHE N N 15 123.900 . . . . . . . 35 F N . 19443 1 135 . 1 1 36 36 TYR H H 1 9.242 . . . . . . . 36 Y HN . 19443 1 136 . 1 1 36 36 TYR C C 13 175.970 . . . . . . . 36 Y CO . 19443 1 137 . 1 1 36 36 TYR CA C 13 55.190 . . . . . . . 36 Y CA . 19443 1 138 . 1 1 36 36 TYR CB C 13 38.010 . . . . . . . 36 Y CB . 19443 1 139 . 1 1 36 36 TYR N N 15 121.280 . . . . . . . 36 Y N . 19443 1 140 . 1 1 37 37 SER H H 1 8.749 . . . . . . . 37 S HN . 19443 1 141 . 1 1 37 37 SER CA C 13 57.746 . . . . . . . 37 S CA . 19443 1 142 . 1 1 37 37 SER CB C 13 65.679 . . . . . . . 37 S CB . 19443 1 143 . 1 1 37 37 SER N N 15 113.300 . . . . . . . 37 S N . 19443 1 144 . 1 1 38 38 ILE H H 1 8.650 . . . . . . . 38 I HN . 19443 1 145 . 1 1 38 38 ILE C C 13 172.693 . . . . . . . 38 I CO . 19443 1 146 . 1 1 38 38 ILE CB C 13 44.510 . . . . . . . 38 I CB . 19443 1 147 . 1 1 38 38 ILE N N 15 114.288 . . . . . . . 38 I N . 19443 1 148 . 1 1 39 39 THR H H 1 9.348 . . . . . . . 39 T HN . 19443 1 149 . 1 1 39 39 THR C C 13 172.870 . . . . . . . 39 T CO . 19443 1 150 . 1 1 39 39 THR CA C 13 59.960 . . . . . . . 39 T CA . 19443 1 151 . 1 1 39 39 THR CB C 13 72.980 . . . . . . . 39 T CB . 19443 1 152 . 1 1 39 39 THR N N 15 113.730 . . . . . . . 39 T N . 19443 1 153 . 1 1 40 40 GLY H H 1 9.349 . . . . . . . 40 G HN . 19443 1 154 . 1 1 40 40 GLY C C 13 174.860 . . . . . . . 40 G CO . 19443 1 155 . 1 1 40 40 GLY CA C 13 43.610 . . . . . . . 40 G CA . 19443 1 156 . 1 1 40 40 GLY N N 15 107.790 . . . . . . . 40 G N . 19443 1 157 . 1 1 41 41 GLN H H 1 8.613 . . . . . . . 41 Q HN . 19443 1 158 . 1 1 41 41 GLN C C 13 175.760 . . . . . . . 41 Q CO . 19443 1 159 . 1 1 41 41 GLN CA C 13 57.440 . . . . . . . 41 Q CA . 19443 1 160 . 1 1 41 41 GLN CB C 13 28.430 . . . . . . . 41 Q CB . 19443 1 161 . 1 1 41 41 GLN N N 15 123.500 . . . . . . . 41 Q N . 19443 1 162 . 1 1 42 42 GLY H H 1 7.807 . . . . . . . 42 G HN . 19443 1 163 . 1 1 42 42 GLY C C 13 173.500 . . . . . . . 42 G CO . 19443 1 164 . 1 1 42 42 GLY CA C 13 45.110 . . . . . . . 42 G CA . 19443 1 165 . 1 1 42 42 GLY N N 15 113.750 . . . . . . . 42 G N . 19443 1 166 . 1 1 43 43 ALA H H 1 7.976 . . . . . . . 43 A HN . 19443 1 167 . 1 1 43 43 ALA C C 13 177.460 . . . . . . . 43 A CO . 19443 1 168 . 1 1 43 43 ALA CA C 13 52.100 . . . . . . . 43 A CA . 19443 1 169 . 1 1 43 43 ALA CB C 13 19.410 . . . . . . . 43 A CB . 19443 1 170 . 1 1 43 43 ALA N N 15 123.310 . . . . . . . 43 A N . 19443 1 171 . 1 1 44 44 ASP H H 1 8.928 . . . . . . . 44 D HN . 19443 1 172 . 1 1 44 44 ASP C C 13 174.452 . . . . . . . 44 D CO . 19443 1 173 . 1 1 44 44 ASP CA C 13 58.070 . . . . . . . 44 D CA . 19443 1 174 . 1 1 44 44 ASP CB C 13 40.740 . . . . . . . 44 D CB . 19443 1 175 . 1 1 44 44 ASP N N 15 118.857 . . . . . . . 44 D N . 19443 1 176 . 1 1 45 45 THR H H 1 8.836 . . . . . . . 45 T HN . 19443 1 177 . 1 1 45 45 THR C C 13 174.501 . . . . . . . 45 T CO . 19443 1 178 . 1 1 45 45 THR CA C 13 61.880 . . . . . . . 45 T CA . 19443 1 179 . 1 1 45 45 THR CB C 13 69.930 . . . . . . . 45 T CB . 19443 1 180 . 1 1 45 45 THR N N 15 118.890 . . . . . . . 45 T N . 19443 1 181 . 1 1 48 48 VAL H H 1 8.160 . . . . . . . 48 V HN . 19443 1 182 . 1 1 48 48 VAL C C 13 176.880 . . . . . . . 48 V CO . 19443 1 183 . 1 1 48 48 VAL CA C 13 63.460 . . . . . . . 48 V CA . 19443 1 184 . 1 1 48 48 VAL CB C 13 31.990 . . . . . . . 48 V CB . 19443 1 185 . 1 1 48 48 VAL N N 15 124.150 . . . . . . . 48 V N . 19443 1 186 . 1 1 49 49 GLY H H 1 8.471 . . . . . . . 49 G HN . 19443 1 187 . 1 1 49 49 GLY C C 13 174.440 . . . . . . . 49 G CO . 19443 1 188 . 1 1 49 49 GLY CA C 13 45.310 . . . . . . . 49 G CA . 19443 1 189 . 1 1 49 49 GLY N N 15 109.350 . . . . . . . 49 G N . 19443 1 190 . 1 1 50 50 VAL H H 1 7.923 . . . . . . . 50 V HN . 19443 1 191 . 1 1 50 50 VAL C C 13 173.910 . . . . . . . 50 V CO . 19443 1 192 . 1 1 50 50 VAL CA C 13 61.730 . . . . . . . 50 V CA . 19443 1 193 . 1 1 50 50 VAL CB C 13 22.080 . . . . . . . 50 V CB . 19443 1 194 . 1 1 50 50 VAL N N 15 113.010 . . . . . . . 50 V N . 19443 1 195 . 1 1 51 51 PHE H H 1 8.322 . . . . . . . 51 F HN . 19443 1 196 . 1 1 51 51 PHE C C 13 175.970 . . . . . . . 51 F CO . 19443 1 197 . 1 1 51 51 PHE CA C 13 54.250 . . . . . . . 51 F CA . 19443 1 198 . 1 1 51 51 PHE CB C 13 40.952 . . . . . . . 51 F CB . 19443 1 199 . 1 1 51 51 PHE N N 15 122.640 . . . . . . . 51 F N . 19443 1 200 . 1 1 52 52 ILE H H 1 8.574 . . . . . . . 52 I HN . 19443 1 201 . 1 1 52 52 ILE C C 13 173.870 . . . . . . . 52 I CO . 19443 1 202 . 1 1 52 52 ILE CA C 13 57.570 . . . . . . . 52 I CA . 19443 1 203 . 1 1 52 52 ILE N N 15 113.480 . . . . . . . 52 I N . 19443 1 204 . 1 1 53 53 ILE H H 1 8.482 . . . . . . . 53 I HN . 19443 1 205 . 1 1 53 53 ILE C C 13 179.036 . . . . . . . 53 I CO . 19443 1 206 . 1 1 53 53 ILE CA C 13 56.960 . . . . . . . 53 I CA . 19443 1 207 . 1 1 53 53 ILE N N 15 116.100 . . . . . . . 53 I N . 19443 1 208 . 1 1 54 54 GLU H H 1 8.230 . . . . . . . 54 E HN . 19443 1 209 . 1 1 54 54 GLU C C 13 174.420 . . . . . . . 54 E CO . 19443 1 210 . 1 1 54 54 GLU CA C 13 53.871 . . . . . . . 54 E CA . 19443 1 211 . 1 1 54 54 GLU N N 15 130.275 . . . . . . . 54 E N . 19443 1 212 . 1 1 55 55 ARG H H 1 8.522 . . . . . . . 55 R HN . 19443 1 213 . 1 1 55 55 ARG C C 13 174.750 . . . . . . . 55 R CO . 19443 1 214 . 1 1 55 55 ARG CA C 13 55.998 . . . . . . . 55 R CA . 19443 1 215 . 1 1 55 55 ARG CB C 13 30.506 . . . . . . . 55 R CB . 19443 1 216 . 1 1 55 55 ARG N N 15 129.330 . . . . . . . 55 R N . 19443 1 217 . 1 1 56 56 GLU H H 1 9.105 . . . . . . . 56 E HN . 19443 1 218 . 1 1 56 56 GLU C C 13 177.493 . . . . . . . 56 E CO . 19443 1 219 . 1 1 56 56 GLU CA C 13 58.082 . . . . . . . 56 E CA . 19443 1 220 . 1 1 56 56 GLU N N 15 111.287 . . . . . . . 56 E N . 19443 1 221 . 1 1 58 58 GLY H H 1 8.950 . . . . . . . 58 G HN . 19443 1 222 . 1 1 58 58 GLY C C 13 174.010 . . . . . . . 58 G CO . 19443 1 223 . 1 1 58 58 GLY CA C 13 45.910 . . . . . . . 58 G CA . 19443 1 224 . 1 1 58 58 GLY N N 15 111.570 . . . . . . . 58 G N . 19443 1 225 . 1 1 59 59 TRP H H 1 7.572 . . . . . . . 59 W HN . 19443 1 226 . 1 1 59 59 TRP C C 13 174.013 . . . . . . . 59 W CO . 19443 1 227 . 1 1 59 59 TRP CA C 13 47.249 . . . . . . . 59 W CA . 19443 1 228 . 1 1 59 59 TRP N N 15 124.860 . . . . . . . 59 W N . 19443 1 229 . 1 1 60 60 LEU H H 1 9.004 . . . . . . . 60 L HN . 19443 1 230 . 1 1 60 60 LEU C C 13 174.793 . . . . . . . 60 L CO . 19443 1 231 . 1 1 60 60 LEU CA C 13 56.690 . . . . . . . 60 L CA . 19443 1 232 . 1 1 60 60 LEU CB C 13 41.070 . . . . . . . 60 L CB . 19443 1 233 . 1 1 60 60 LEU N N 15 128.486 . . . . . . . 60 L N . 19443 1 234 . 1 1 61 61 LYS H H 1 8.458 . . . . . . . 61 K HN . 19443 1 235 . 1 1 61 61 LYS C C 13 175.592 . . . . . . . 61 K CO . 19443 1 236 . 1 1 61 61 LYS CA C 13 56.320 . . . . . . . 61 K CA . 19443 1 237 . 1 1 61 61 LYS CB C 13 30.620 . . . . . . . 61 K CB . 19443 1 238 . 1 1 61 61 LYS N N 15 127.700 . . . . . . . 61 K N . 19443 1 239 . 1 1 62 62 VAL H H 1 8.840 . . . . . . . 62 V HN . 19443 1 240 . 1 1 62 62 VAL C C 13 177.310 . . . . . . . 62 V CO . 19443 1 241 . 1 1 62 62 VAL CA C 13 59.670 . . . . . . . 62 V CA . 19443 1 242 . 1 1 62 62 VAL CB C 13 39.450 . . . . . . . 62 V CB . 19443 1 243 . 1 1 62 62 VAL N N 15 129.670 . . . . . . . 62 V N . 19443 1 244 . 1 1 63 63 THR H H 1 8.815 . . . . . . . 63 T HN . 19443 1 245 . 1 1 63 63 THR CA C 13 61.110 . . . . . . . 63 T CA . 19443 1 246 . 1 1 63 63 THR CB C 13 70.340 . . . . . . . 63 T CB . 19443 1 247 . 1 1 63 63 THR N N 15 122.850 . . . . . . . 63 T N . 19443 1 248 . 1 1 65 65 PRO C C 13 176.760 . . . . . . . 65 P CO . 19443 1 249 . 1 1 65 65 PRO CA C 13 63.190 . . . . . . . 65 P CA . 19443 1 250 . 1 1 65 65 PRO CB C 13 32.080 . . . . . . . 65 P CB . 19443 1 251 . 1 1 67 67 ASP H H 1 8.378 . . . . . . . 67 D HN . 19443 1 252 . 1 1 67 67 ASP C C 13 175.279 . . . . . . . 67 D CO . 19443 1 253 . 1 1 67 67 ASP CA C 13 56.785 . . . . . . . 67 D CA . 19443 1 254 . 1 1 67 67 ASP N N 15 118.117 . . . . . . . 67 D N . 19443 1 255 . 1 1 68 68 ARG H H 1 9.161 . . . . . . . 68 R HN . 19443 1 256 . 1 1 68 68 ARG C C 13 176.150 . . . . . . . 68 R CO . 19443 1 257 . 1 1 68 68 ARG CA C 13 58.700 . . . . . . . 68 R CA . 19443 1 258 . 1 1 68 68 ARG CB C 13 24.900 . . . . . . . 68 R CB . 19443 1 259 . 1 1 68 68 ARG N N 15 125.550 . . . . . . . 68 R N . 19443 1 260 . 1 1 69 69 GLU H H 1 8.260 . . . . . . . 69 E HN . 19443 1 261 . 1 1 69 69 GLU C C 13 176.180 . . . . . . . 69 E CO . 19443 1 262 . 1 1 69 69 GLU CA C 13 57.990 . . . . . . . 69 E CA . 19443 1 263 . 1 1 69 69 GLU N N 15 116.120 . . . . . . . 69 E N . 19443 1 264 . 1 1 70 70 ARG H H 1 7.348 . . . . . . . 70 R HN . 19443 1 265 . 1 1 70 70 ARG C C 13 176.175 . . . . . . . 70 R CO . 19443 1 266 . 1 1 70 70 ARG CA C 13 53.770 . . . . . . . 70 R CA . 19443 1 267 . 1 1 70 70 ARG N N 15 117.140 . . . . . . . 70 R N . 19443 1 268 . 1 1 71 71 ILE H H 1 7.359 . . . . . . . 71 I HN . 19443 1 269 . 1 1 71 71 ILE C C 13 176.902 . . . . . . . 71 I CO . 19443 1 270 . 1 1 71 71 ILE CB C 13 25.880 . . . . . . . 71 I CB . 19443 1 271 . 1 1 71 71 ILE N N 15 118.580 . . . . . . . 71 I N . 19443 1 272 . 1 1 72 72 ALA H H 1 8.517 . . . . . . . 72 A HN . 19443 1 273 . 1 1 72 72 ALA C C 13 177.330 . . . . . . . 72 A CO . 19443 1 274 . 1 1 72 72 ALA CA C 13 53.580 . . . . . . . 72 A CA . 19443 1 275 . 1 1 72 72 ALA CB C 13 20.150 . . . . . . . 72 A CB . 19443 1 276 . 1 1 72 72 ALA N N 15 127.540 . . . . . . . 72 A N . 19443 1 277 . 1 1 73 73 THR H H 1 6.540 . . . . . . . 73 T HN . 19443 1 278 . 1 1 73 73 THR C C 13 179.100 . . . . . . . 73 T CO . 19443 1 279 . 1 1 73 73 THR CA C 13 59.690 . . . . . . . 73 T CA . 19443 1 280 . 1 1 73 73 THR CB C 13 72.370 . . . . . . . 73 T CB . 19443 1 281 . 1 1 73 73 THR N N 15 109.239 . . . . . . . 73 T N . 19443 1 282 . 1 1 74 74 TYR H H 1 7.964 . . . . . . . 74 Y HN . 19443 1 283 . 1 1 74 74 TYR C C 13 175.850 . . . . . . . 74 Y CO . 19443 1 284 . 1 1 74 74 TYR CA C 13 56.340 . . . . . . . 74 Y CA . 19443 1 285 . 1 1 74 74 TYR CB C 13 29.210 . . . . . . . 74 Y CB . 19443 1 286 . 1 1 74 74 TYR N N 15 121.280 . . . . . . . 74 Y N . 19443 1 287 . 1 1 75 75 THR H H 1 7.928 . . . . . . . 75 T HN . 19443 1 288 . 1 1 75 75 THR C C 13 175.076 . . . . . . . 75 T CO . 19443 1 289 . 1 1 75 75 THR CA C 13 55.505 . . . . . . . 75 T CA . 19443 1 290 . 1 1 75 75 THR N N 15 124.190 . . . . . . . 75 T N . 19443 1 291 . 1 1 76 76 LEU H H 1 8.811 . . . . . . . 76 L HN . 19443 1 292 . 1 1 76 76 LEU C C 13 176.780 . . . . . . . 76 L CO . 19443 1 293 . 1 1 76 76 LEU CA C 13 52.810 . . . . . . . 76 L CA . 19443 1 294 . 1 1 76 76 LEU CB C 13 45.270 . . . . . . . 76 L CB . 19443 1 295 . 1 1 76 76 LEU N N 15 126.710 . . . . . . . 76 L N . 19443 1 296 . 1 1 77 77 PHE H H 1 9.003 . . . . . . . 77 F HN . 19443 1 297 . 1 1 77 77 PHE C C 13 175.970 . . . . . . . 77 F CO . 19443 1 298 . 1 1 77 77 PHE CA C 13 55.190 . . . . . . . 77 F CA . 19443 1 299 . 1 1 77 77 PHE CB C 13 38.010 . . . . . . . 77 F CB . 19443 1 300 . 1 1 77 77 PHE N N 15 123.570 . . . . . . . 77 F N . 19443 1 301 . 1 1 78 78 SER H H 1 8.909 . . . . . . . 78 S HN . 19443 1 302 . 1 1 78 78 SER C C 13 175.979 . . . . . . . 78 S CO . 19443 1 303 . 1 1 78 78 SER CA C 13 53.593 . . . . . . . 78 S CA . 19443 1 304 . 1 1 78 78 SER N N 15 115.800 . . . . . . . 78 S N . 19443 1 305 . 1 1 79 79 HIS H H 1 8.908 . . . . . . . 79 H HN . 19443 1 306 . 1 1 79 79 HIS C C 13 172.990 . . . . . . . 79 H CO . 19443 1 307 . 1 1 79 79 HIS CA C 13 61.880 . . . . . . . 79 H CA . 19443 1 308 . 1 1 79 79 HIS CB C 13 30.180 . . . . . . . 79 H CB . 19443 1 309 . 1 1 79 79 HIS N N 15 125.450 . . . . . . . 79 H N . 19443 1 310 . 1 1 80 80 ALA H H 1 8.749 . . . . . . . 80 A HN . 19443 1 311 . 1 1 80 80 ALA CA C 13 56.345 . . . . . . . 80 A CA . 19443 1 312 . 1 1 80 80 ALA N N 15 126.800 . . . . . . . 80 A N . 19443 1 313 . 1 1 81 81 VAL C C 13 174.650 . . . . . . . 81 V CO . 19443 1 314 . 1 1 81 81 VAL CA C 13 58.770 . . . . . . . 81 V CA . 19443 1 315 . 1 1 81 81 VAL CB C 13 36.780 . . . . . . . 81 V CB . 19443 1 316 . 1 1 82 82 SER H H 1 8.573 . . . . . . . 82 S HN . 19443 1 317 . 1 1 82 82 SER C C 13 177.450 . . . . . . . 82 S CO . 19443 1 318 . 1 1 82 82 SER CA C 13 56.910 . . . . . . . 82 S CA . 19443 1 319 . 1 1 82 82 SER CB C 13 65.020 . . . . . . . 82 S CB . 19443 1 320 . 1 1 82 82 SER N N 15 115.620 . . . . . . . 82 S N . 19443 1 321 . 1 1 83 83 SER H H 1 9.312 . . . . . . . 83 S HN . 19443 1 322 . 1 1 83 83 SER C C 13 177.447 . . . . . . . 83 S CO . 19443 1 323 . 1 1 83 83 SER CA C 13 61.680 . . . . . . . 83 S CA . 19443 1 324 . 1 1 83 83 SER CB C 13 62.700 . . . . . . . 83 S CB . 19443 1 325 . 1 1 83 83 SER N N 15 117.920 . . . . . . . 83 S N . 19443 1 326 . 1 1 84 84 ASN H H 1 7.923 . . . . . . . 84 N HN . 19443 1 327 . 1 1 84 84 ASN C C 13 175.803 . . . . . . . 84 N CO . 19443 1 328 . 1 1 84 84 ASN CA C 13 59.815 . . . . . . . 84 N CA . 19443 1 329 . 1 1 84 84 ASN CB C 13 38.070 . . . . . . . 84 N CB . 19443 1 330 . 1 1 84 84 ASN N N 15 116.799 . . . . . . . 84 N N . 19443 1 331 . 1 1 85 85 GLY H H 1 7.925 . . . . . . . 85 G HN . 19443 1 332 . 1 1 85 85 GLY C C 13 173.590 . . . . . . . 85 G CO . 19443 1 333 . 1 1 85 85 GLY CA C 13 45.110 . . . . . . . 85 G CA . 19443 1 334 . 1 1 85 85 GLY N N 15 107.240 . . . . . . . 85 G N . 19443 1 335 . 1 1 86 86 ASN H H 1 7.775 . . . . . . . 86 N HN . 19443 1 336 . 1 1 86 86 ASN C C 13 174.600 . . . . . . . 86 N CO . 19443 1 337 . 1 1 86 86 ASN CA C 13 52.820 . . . . . . . 86 N CA . 19443 1 338 . 1 1 86 86 ASN CB C 13 38.770 . . . . . . . 86 N CB . 19443 1 339 . 1 1 86 86 ASN N N 15 118.440 . . . . . . . 86 N N . 19443 1 340 . 1 1 87 87 ALA H H 1 8.730 . . . . . . . 87 A HN . 19443 1 341 . 1 1 87 87 ALA C C 13 175.870 . . . . . . . 87 A CO . 19443 1 342 . 1 1 87 87 ALA CA C 13 54.080 . . . . . . . 87 A CA . 19443 1 343 . 1 1 87 87 ALA CB C 13 19.920 . . . . . . . 87 A CB . 19443 1 344 . 1 1 87 87 ALA N N 15 125.433 . . . . . . . 87 A N . 19443 1 345 . 1 1 88 88 VAL H H 1 8.239 . . . . . . . 88 V HN . 19443 1 346 . 1 1 88 88 VAL C C 13 170.230 . . . . . . . 88 V CO . 19443 1 347 . 1 1 88 88 VAL CA C 13 62.380 . . . . . . . 88 V CA . 19443 1 348 . 1 1 88 88 VAL N N 15 121.000 . . . . . . . 88 V N . 19443 1 349 . 1 1 89 89 GLU H H 1 8.029 . . . . . . . 89 E HN . 19443 1 350 . 1 1 89 89 GLU C C 13 170.206 . . . . . . . 89 E CO . 19443 1 351 . 1 1 89 89 GLU CA C 13 53.876 . . . . . . . 89 E CA . 19443 1 352 . 1 1 89 89 GLU N N 15 126.940 . . . . . . . 89 E N . 19443 1 353 . 1 1 90 90 ASP H H 1 8.613 . . . . . . . 90 D HN . 19443 1 354 . 1 1 90 90 ASP C C 13 174.850 . . . . . . . 90 D CO . 19443 1 355 . 1 1 90 90 ASP CA C 13 57.617 . . . . . . . 90 D CA . 19443 1 356 . 1 1 90 90 ASP N N 15 123.500 . . . . . . . 90 D N . 19443 1 357 . 1 1 91 91 PRO C C 13 176.640 . . . . . . . 91 P CO . 19443 1 358 . 1 1 91 91 PRO CA C 13 63.270 . . . . . . . 91 P CA . 19443 1 359 . 1 1 91 91 PRO CB C 13 31.910 . . . . . . . 91 P CB . 19443 1 360 . 1 1 92 92 MET H H 1 8.179 . . . . . . . 92 M HN . 19443 1 361 . 1 1 92 92 MET CA C 13 52.130 . . . . . . . 92 M CA . 19443 1 362 . 1 1 92 92 MET CB C 13 26.910 . . . . . . . 92 M CB . 19443 1 363 . 1 1 92 92 MET N N 15 124.300 . . . . . . . 92 M N . 19443 1 364 . 1 1 93 93 GLU H H 1 8.365 . . . . . . . 93 E HN . 19443 1 365 . 1 1 93 93 GLU C C 13 172.990 . . . . . . . 93 E CO . 19443 1 366 . 1 1 93 93 GLU CA C 13 52.290 . . . . . . . 93 E CA . 19443 1 367 . 1 1 93 93 GLU CB C 13 30.160 . . . . . . . 93 E CB . 19443 1 368 . 1 1 93 93 GLU N N 15 123.870 . . . . . . . 93 E N . 19443 1 369 . 1 1 94 94 ILE H H 1 8.749 . . . . . . . 94 I HN . 19443 1 370 . 1 1 94 94 ILE C C 13 172.973 . . . . . . . 94 I CO . 19443 1 371 . 1 1 94 94 ILE CA C 13 50.495 . . . . . . . 94 I CA . 19443 1 372 . 1 1 94 94 ILE N N 15 126.800 . . . . . . . 94 I N . 19443 1 373 . 1 1 95 95 LEU H H 1 8.181 . . . . . . . 95 L HN . 19443 1 374 . 1 1 95 95 LEU C C 13 175.956 . . . . . . . 95 L CO . 19443 1 375 . 1 1 95 95 LEU CA C 13 58.063 . . . . . . . 95 L CA . 19443 1 376 . 1 1 95 95 LEU N N 15 128.340 . . . . . . . 95 L N . 19443 1 377 . 1 1 96 96 ILE H H 1 9.156 . . . . . . . 96 I HN . 19443 1 378 . 1 1 96 96 ILE C C 13 176.674 . . . . . . . 96 I CO . 19443 1 379 . 1 1 96 96 ILE CA C 13 58.718 . . . . . . . 96 I CA . 19443 1 380 . 1 1 96 96 ILE CB C 13 32.660 . . . . . . . 96 I CB . 19443 1 381 . 1 1 96 96 ILE N N 15 127.118 . . . . . . . 96 I N . 19443 1 382 . 1 1 97 97 THR H H 1 8.273 . . . . . . . 97 T HN . 19443 1 383 . 1 1 97 97 THR C C 13 176.210 . . . . . . . 97 T CO . 19443 1 384 . 1 1 97 97 THR CA C 13 61.980 . . . . . . . 97 T CA . 19443 1 385 . 1 1 97 97 THR CB C 13 69.890 . . . . . . . 97 T CB . 19443 1 386 . 1 1 97 97 THR N N 15 118.760 . . . . . . . 97 T N . 19443 1 387 . 1 1 98 98 VAL H H 1 8.261 . . . . . . . 98 V HN . 19443 1 388 . 1 1 98 98 VAL C C 13 173.700 . . . . . . . 98 V CO . 19443 1 389 . 1 1 98 98 VAL CA C 13 60.030 . . . . . . . 98 V CA . 19443 1 390 . 1 1 98 98 VAL CB C 13 34.700 . . . . . . . 98 V CB . 19443 1 391 . 1 1 98 98 VAL N N 15 119.160 . . . . . . . 98 V N . 19443 1 392 . 1 1 99 99 THR H H 1 8.799 . . . . . . . 99 T HN . 19443 1 393 . 1 1 99 99 THR C C 13 172.970 . . . . . . . 99 T CO . 19443 1 394 . 1 1 99 99 THR CA C 13 61.930 . . . . . . . 99 T CA . 19443 1 395 . 1 1 99 99 THR CB C 13 70.200 . . . . . . . 99 T CB . 19443 1 396 . 1 1 99 99 THR N N 15 122.530 . . . . . . . 99 T N . 19443 1 397 . 1 1 100 100 ASP H H 1 8.331 . . . . . . . 100 D HN . 19443 1 398 . 1 1 100 100 ASP CA C 13 58.615 . . . . . . . 100 D CA . 19443 1 399 . 1 1 100 100 ASP CB C 13 41.319 . . . . . . . 100 D CB . 19443 1 400 . 1 1 100 100 ASP N N 15 119.260 . . . . . . . 100 D N . 19443 1 401 . 1 1 102 102 ASN H H 1 8.745 . . . . . . . 102 N HN . 19443 1 402 . 1 1 102 102 ASN C C 13 175.590 . . . . . . . 102 N CO . 19443 1 403 . 1 1 102 102 ASN CA C 13 54.430 . . . . . . . 102 N CA . 19443 1 404 . 1 1 102 102 ASN CB C 13 37.940 . . . . . . . 102 N CB . 19443 1 405 . 1 1 102 102 ASN N N 15 124.560 . . . . . . . 102 N N . 19443 1 406 . 1 1 103 103 ASP H H 1 9.046 . . . . . . . 103 D HN . 19443 1 407 . 1 1 103 103 ASP C C 13 175.590 . . . . . . . 103 D CO . 19443 1 408 . 1 1 103 103 ASP CA C 13 54.430 . . . . . . . 103 D CA . 19443 1 409 . 1 1 103 103 ASP CB C 13 37.940 . . . . . . . 103 D CB . 19443 1 410 . 1 1 103 103 ASP N N 15 121.835 . . . . . . . 103 D N . 19443 1 411 . 1 1 104 104 ASN H H 1 9.002 . . . . . . . 104 N HN . 19443 1 412 . 1 1 104 104 ASN CA C 13 53.520 . . . . . . . 104 N CA . 19443 1 413 . 1 1 104 104 ASN CB C 13 39.200 . . . . . . . 104 N CB . 19443 1 414 . 1 1 104 104 ASN N N 15 123.570 . . . . . . . 104 N N . 19443 1 415 . 1 1 105 105 LYS H H 1 8.352 . . . . . . . 105 K HN . 19443 1 416 . 1 1 105 105 LYS C C 13 174.864 . . . . . . . 105 K CO . 19443 1 417 . 1 1 105 105 LYS CA C 13 54.167 . . . . . . . 105 K CA . 19443 1 418 . 1 1 105 105 LYS N N 15 121.350 . . . . . . . 105 K N . 19443 1 419 . 1 1 107 107 GLU H H 1 8.810 . . . . . . . 107 E HN . 19443 1 420 . 1 1 107 107 GLU C C 13 174.747 . . . . . . . 107 E CO . 19443 1 421 . 1 1 107 107 GLU CA C 13 57.453 . . . . . . . 107 E CA . 19443 1 422 . 1 1 107 107 GLU N N 15 114.309 . . . . . . . 107 E N . 19443 1 423 . 1 1 108 108 PHE H H 1 8.347 . . . . . . . 108 F HN . 19443 1 424 . 1 1 108 108 PHE C C 13 174.559 . . . . . . . 108 F CO . 19443 1 425 . 1 1 108 108 PHE CA C 13 58.204 . . . . . . . 108 F CA . 19443 1 426 . 1 1 108 108 PHE CB C 13 37.490 . . . . . . . 108 F CB . 19443 1 427 . 1 1 108 108 PHE N N 15 118.475 . . . . . . . 108 F N . 19443 1 428 . 1 1 109 109 THR H H 1 9.103 . . . . . . . 109 T HN . 19443 1 429 . 1 1 109 109 THR C C 13 172.510 . . . . . . . 109 T CO . 19443 1 430 . 1 1 109 109 THR CA C 13 63.040 . . . . . . . 109 T CA . 19443 1 431 . 1 1 109 109 THR CB C 13 69.810 . . . . . . . 109 T CB . 19443 1 432 . 1 1 109 109 THR N N 15 115.710 . . . . . . . 109 T N . 19443 1 433 . 1 1 110 110 GLN H H 1 6.946 . . . . . . . 110 Q HN . 19443 1 434 . 1 1 110 110 GLN C C 13 172.509 . . . . . . . 110 Q CO . 19443 1 435 . 1 1 110 110 GLN CA C 13 52.860 . . . . . . . 110 Q CA . 19443 1 436 . 1 1 110 110 GLN CB C 13 29.560 . . . . . . . 110 Q CB . 19443 1 437 . 1 1 110 110 GLN N N 15 117.950 . . . . . . . 110 Q N . 19443 1 438 . 1 1 112 112 VAL H H 1 8.573 . . . . . . . 112 V HN . 19443 1 439 . 1 1 112 112 VAL C C 13 176.740 . . . . . . . 112 V CO . 19443 1 440 . 1 1 112 112 VAL CA C 13 63.540 . . . . . . . 112 V CA . 19443 1 441 . 1 1 112 112 VAL CB C 13 29.230 . . . . . . . 112 V CB . 19443 1 442 . 1 1 112 112 VAL N N 15 120.590 . . . . . . . 112 V N . 19443 1 443 . 1 1 113 113 PHE H H 1 8.746 . . . . . . . 113 F HN . 19443 1 444 . 1 1 113 113 PHE C C 13 174.770 . . . . . . . 113 F CO . 19443 1 445 . 1 1 113 113 PHE CA C 13 56.260 . . . . . . . 113 F CA . 19443 1 446 . 1 1 113 113 PHE CB C 13 39.050 . . . . . . . 113 F CB . 19443 1 447 . 1 1 113 113 PHE N N 15 120.010 . . . . . . . 113 F N . 19443 1 448 . 1 1 114 114 LYS H H 1 8.237 . . . . . . . 114 K HN . 19443 1 449 . 1 1 114 114 LYS C C 13 176.440 . . . . . . . 114 K CO . 19443 1 450 . 1 1 114 114 LYS CA C 13 56.370 . . . . . . . 114 K CA . 19443 1 451 . 1 1 114 114 LYS CB C 13 32.880 . . . . . . . 114 K CB . 19443 1 452 . 1 1 114 114 LYS N N 15 124.650 . . . . . . . 114 K N . 19443 1 453 . 1 1 115 115 GLY H H 1 7.667 . . . . . . . 115 G HN . 19443 1 454 . 1 1 115 115 GLY C C 13 173.810 . . . . . . . 115 G CO . 19443 1 455 . 1 1 115 115 GLY CA C 13 45.170 . . . . . . . 115 G CA . 19443 1 456 . 1 1 115 115 GLY N N 15 109.280 . . . . . . . 115 G N . 19443 1 457 . 1 1 116 116 SER H H 1 8.163 . . . . . . . 116 S HN . 19443 1 458 . 1 1 116 116 SER C C 13 174.250 . . . . . . . 116 S CO . 19443 1 459 . 1 1 116 116 SER CA C 13 58.380 . . . . . . . 116 S CA . 19443 1 460 . 1 1 116 116 SER CB C 13 64.080 . . . . . . . 116 S CB . 19443 1 461 . 1 1 116 116 SER N N 15 115.580 . . . . . . . 116 S N . 19443 1 462 . 1 1 117 117 VAL H H 1 8.170 . . . . . . . 117 V HN . 19443 1 463 . 1 1 117 117 VAL C C 13 175.700 . . . . . . . 117 V CO . 19443 1 464 . 1 1 117 117 VAL CA C 13 62.290 . . . . . . . 117 V CA . 19443 1 465 . 1 1 117 117 VAL CB C 13 32.670 . . . . . . . 117 V CB . 19443 1 466 . 1 1 117 117 VAL N N 15 120.750 . . . . . . . 117 V N . 19443 1 467 . 1 1 118 118 MET H H 1 8.333 . . . . . . . 118 M HN . 19443 1 468 . 1 1 118 118 MET C C 13 175.756 . . . . . . . 118 M CO . 19443 1 469 . 1 1 118 118 MET CA C 13 54.520 . . . . . . . 118 M CA . 19443 1 470 . 1 1 118 118 MET CB C 13 38.750 . . . . . . . 118 M CB . 19443 1 471 . 1 1 118 118 MET N N 15 124.090 . . . . . . . 118 M N . 19443 1 472 . 1 1 119 119 GLU H H 1 8.553 . . . . . . . 119 E HN . 19443 1 473 . 1 1 119 119 GLU C C 13 176.790 . . . . . . . 119 E CO . 19443 1 474 . 1 1 119 119 GLU CA C 13 56.920 . . . . . . . 119 E CA . 19443 1 475 . 1 1 119 119 GLU CB C 13 30.100 . . . . . . . 119 E CB . 19443 1 476 . 1 1 119 119 GLU N N 15 125.670 . . . . . . . 119 E N . 19443 1 477 . 1 1 120 120 GLY H H 1 8.381 . . . . . . . 120 G HN . 19443 1 478 . 1 1 120 120 GLY C C 13 173.510 . . . . . . . 120 G CO . 19443 1 479 . 1 1 120 120 GLY CA C 13 45.230 . . . . . . . 120 G CA . 19443 1 480 . 1 1 120 120 GLY N N 15 110.430 . . . . . . . 120 G N . 19443 1 481 . 1 1 121 121 ALA H H 1 7.983 . . . . . . . 121 A HN . 19443 1 482 . 1 1 121 121 ALA C C 13 176.801 . . . . . . . 121 A CO . 19443 1 483 . 1 1 121 121 ALA CA C 13 55.880 . . . . . . . 121 A CA . 19443 1 484 . 1 1 121 121 ALA N N 15 122.150 . . . . . . . 121 A N . 19443 1 485 . 1 1 123 123 PRO C C 13 176.910 . . . . . . . 123 P CO . 19443 1 486 . 1 1 123 123 PRO CA C 13 63.280 . . . . . . . 123 P CA . 19443 1 487 . 1 1 123 123 PRO CB C 13 34.340 . . . . . . . 123 P CB . 19443 1 488 . 1 1 124 124 GLY H H 1 8.555 . . . . . . . 124 G HN . 19443 1 489 . 1 1 124 124 GLY C C 13 174.000 . . . . . . . 124 G CO . 19443 1 490 . 1 1 124 124 GLY CA C 13 45.450 . . . . . . . 124 G CA . 19443 1 491 . 1 1 124 124 GLY N N 15 110.950 . . . . . . . 124 G N . 19443 1 492 . 1 1 125 125 THR H H 1 8.090 . . . . . . . 125 T HN . 19443 1 493 . 1 1 125 125 THR C C 13 173.995 . . . . . . . 125 T CO . 19443 1 494 . 1 1 125 125 THR CA C 13 62.010 . . . . . . . 125 T CA . 19443 1 495 . 1 1 125 125 THR CB C 13 69.850 . . . . . . . 125 T CB . 19443 1 496 . 1 1 125 125 THR N N 15 113.360 . . . . . . . 125 T N . 19443 1 497 . 1 1 126 126 SER H H 1 8.285 . . . . . . . 126 S HN . 19443 1 498 . 1 1 126 126 SER CA C 13 56.470 . . . . . . . 126 S CA . 19443 1 499 . 1 1 126 126 SER CB C 13 69.850 . . . . . . . 126 S CB . 19443 1 500 . 1 1 126 126 SER N N 15 122.620 . . . . . . . 126 S N . 19443 1 501 . 1 1 127 127 VAL H H 1 7.885 . . . . . . . 127 V HN . 19443 1 502 . 1 1 127 127 VAL C C 13 174.651 . . . . . . . 127 V CO . 19443 1 503 . 1 1 127 127 VAL CA C 13 52.646 . . . . . . . 127 V CA . 19443 1 504 . 1 1 127 127 VAL CB C 13 38.045 . . . . . . . 127 V CB . 19443 1 505 . 1 1 127 127 VAL N N 15 117.030 . . . . . . . 127 V N . 19443 1 506 . 1 1 129 129 GLU H H 1 8.175 . . . . . . . 129 E HN . 19443 1 507 . 1 1 129 129 GLU C C 13 175.710 . . . . . . . 129 E CO . 19443 1 508 . 1 1 129 129 GLU CA C 13 62.420 . . . . . . . 129 E CA . 19443 1 509 . 1 1 129 129 GLU CB C 13 32.630 . . . . . . . 129 E CB . 19443 1 510 . 1 1 129 129 GLU N N 15 121.710 . . . . . . . 129 E N . 19443 1 511 . 1 1 130 130 VAL H H 1 8.330 . . . . . . . 130 V HN . 19443 1 512 . 1 1 130 130 VAL C C 13 175.712 . . . . . . . 130 V CO . 19443 1 513 . 1 1 130 130 VAL CA C 13 57.380 . . . . . . . 130 V CA . 19443 1 514 . 1 1 130 130 VAL CB C 13 39.450 . . . . . . . 130 V CB . 19443 1 515 . 1 1 130 130 VAL N N 15 124.520 . . . . . . . 130 V N . 19443 1 516 . 1 1 131 131 THR H H 1 8.007 . . . . . . . 131 T HN . 19443 1 517 . 1 1 131 131 THR CA C 13 61.700 . . . . . . . 131 T CA . 19443 1 518 . 1 1 131 131 THR CB C 13 69.880 . . . . . . . 131 T CB . 19443 1 519 . 1 1 131 131 THR N N 15 116.400 . . . . . . . 131 T N . 19443 1 520 . 1 1 132 132 ALA H H 1 8.369 . . . . . . . 132 A HN . 19443 1 521 . 1 1 132 132 ALA C C 13 177.730 . . . . . . . 132 A CO . 19443 1 522 . 1 1 132 132 ALA CA C 13 52.500 . . . . . . . 132 A CA . 19443 1 523 . 1 1 132 132 ALA CB C 13 19.530 . . . . . . . 132 A CB . 19443 1 524 . 1 1 132 132 ALA N N 15 127.420 . . . . . . . 132 A N . 19443 1 525 . 1 1 133 133 THR H H 1 8.202 . . . . . . . 133 T HN . 19443 1 526 . 1 1 133 133 THR C C 13 174.360 . . . . . . . 133 T CO . 19443 1 527 . 1 1 133 133 THR CA C 13 61.640 . . . . . . . 133 T CA . 19443 1 528 . 1 1 133 133 THR CB C 13 70.010 . . . . . . . 133 T CB . 19443 1 529 . 1 1 133 133 THR N N 15 113.700 . . . . . . . 133 T N . 19443 1 530 . 1 1 134 134 ASP H H 1 8.346 . . . . . . . 134 D HN . 19443 1 531 . 1 1 134 134 ASP C C 13 175.970 . . . . . . . 134 D CO . 19443 1 532 . 1 1 134 134 ASP CA C 13 54.270 . . . . . . . 134 D CA . 19443 1 533 . 1 1 134 134 ASP CB C 13 40.910 . . . . . . . 134 D CB . 19443 1 534 . 1 1 134 134 ASP N N 15 123.080 . . . . . . . 134 D N . 19443 1 535 . 1 1 137 137 ASP H H 1 8.370 . . . . . . . 137 D HN . 19443 1 536 . 1 1 137 137 ASP C C 13 175.060 . . . . . . . 137 D CO . 19443 1 537 . 1 1 137 137 ASP CA C 13 55.470 . . . . . . . 137 D CA . 19443 1 538 . 1 1 137 137 ASP CB C 13 41.200 . . . . . . . 137 D CB . 19443 1 539 . 1 1 137 137 ASP N N 15 114.590 . . . . . . . 137 D N . 19443 1 540 . 1 1 138 138 ASP H H 1 8.152 . . . . . . . 138 D HN . 19443 1 541 . 1 1 138 138 ASP C C 13 174.289 . . . . . . . 138 D CO . 19443 1 542 . 1 1 138 138 ASP CA C 13 56.217 . . . . . . . 138 D CA . 19443 1 543 . 1 1 138 138 ASP CB C 13 32.412 . . . . . . . 138 D CB . 19443 1 544 . 1 1 138 138 ASP N N 15 122.680 . . . . . . . 138 D N . 19443 1 stop_ save_