data_19397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19397 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for the first domain of FAT10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-30 _Entry.Accession_date 2013-07-30 _Entry.Last_release_date 2014-08-25 _Entry.Original_release_date 2014-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Wei Wang . . . 19397 2 Liangzhong Lim . . . 19397 3 Haina Qin . . . 19397 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19397 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAT10 . 19397 structure . 19397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 52 19397 '1H chemical shifts' 296 19397 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 . . 2014-08-25 2013-07-30 original author . 19397 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19397 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of FAT10 first domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wei Wang . . . 19397 1 2 Liangzhong Lim . . . 19397 1 3 Haina Qin . . . 19397 1 4 Jianxing Song . . . 19397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19397 _Assembly.ID 1 _Assembly.Name 'FAT10 first domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FAT10 1 $FAT10 A . yes native no no . . . 19397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAT10 _Entity.Sf_category entity _Entity.Sf_framecode FAT10 _Entity.Entry_ID 19397 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAT10 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LCVHVRSEEWDLMTFDANPY DSVLKIKEHVRSKTKVPVQD QVLLLGSKILKPRRSLSSYG IDKEKTIHLTLKVVK ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8676.306 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MBE . "Backbone 1h And 15n Chemical Shift Assignments For The First Domain Of Fat10" . . . . . 100.00 75 100.00 100.00 4.29e-45 . . . . 19397 1 2 no DBJ BAG34855 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 165 97.33 97.33 1.30e-42 . . . . 19397 1 3 no EMBL CAA21458 . "ubiquitin D [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 9.23e-44 . . . . 19397 1 4 no EMBL CAA73200 . "diubiquitin [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 9.23e-44 . . . . 19397 1 5 no GB AAD52982 . "ubiquitin-like protein FAT10 [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 9.23e-44 . . . . 19397 1 6 no GB AAH12472 . "Ubiquitin D [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 1.15e-43 . . . . 19397 1 7 no GB ABM85550 . "ubiquitin D [synthetic construct]" . . . . . 100.00 165 98.67 98.67 1.15e-43 . . . . 19397 1 8 no GB AIC55799 . "UBD, partial [synthetic construct]" . . . . . 100.00 165 98.67 98.67 1.15e-43 . . . . 19397 1 9 no GB EAX03201 . "ubiquitin D [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 9.23e-44 . . . . 19397 1 10 no REF NP_006389 . "ubiquitin D [Homo sapiens]" . . . . . 100.00 165 98.67 98.67 1.15e-43 . . . . 19397 1 11 no REF XP_004043579 . "PREDICTED: ubiquitin D [Gorilla gorilla gorilla]" . . . . . 100.00 165 97.33 97.33 4.91e-42 . . . . 19397 1 12 no SP O15205 . "RecName: Full=Ubiquitin D; AltName: Full=Diubiquitin; AltName: Full=Ubiquitin-like protein FAT10" . . . . . 100.00 165 98.67 98.67 1.15e-43 . . . . 19397 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 . LEU . 19397 1 2 . CYS . 19397 1 3 . VAL . 19397 1 4 . HIS . 19397 1 5 . VAL . 19397 1 6 . ARG . 19397 1 7 . SER . 19397 1 8 . GLU . 19397 1 9 . GLU . 19397 1 10 . TRP . 19397 1 11 . ASP . 19397 1 12 . LEU . 19397 1 13 . MET . 19397 1 14 . THR . 19397 1 15 . PHE . 19397 1 16 . ASP . 19397 1 17 . ALA . 19397 1 18 . ASN . 19397 1 19 . PRO . 19397 1 20 . TYR . 19397 1 21 . ASP . 19397 1 22 . SER . 19397 1 23 . VAL . 19397 1 24 . LEU . 19397 1 25 . LYS . 19397 1 26 . ILE . 19397 1 27 . LYS . 19397 1 28 . GLU . 19397 1 29 . HIS . 19397 1 30 . VAL . 19397 1 31 . ARG . 19397 1 32 . SER . 19397 1 33 . LYS . 19397 1 34 . THR . 19397 1 35 . LYS . 19397 1 36 . VAL . 19397 1 37 . PRO . 19397 1 38 . VAL . 19397 1 39 . GLN . 19397 1 40 . ASP . 19397 1 41 . GLN . 19397 1 42 . VAL . 19397 1 43 . LEU . 19397 1 44 . LEU . 19397 1 45 . LEU . 19397 1 46 . GLY . 19397 1 47 . SER . 19397 1 48 . LYS . 19397 1 49 . ILE . 19397 1 50 . LEU . 19397 1 51 . LYS . 19397 1 52 . PRO . 19397 1 53 . ARG . 19397 1 54 . ARG . 19397 1 55 . SER . 19397 1 56 . LEU . 19397 1 57 . SER . 19397 1 58 . SER . 19397 1 59 . TYR . 19397 1 60 . GLY . 19397 1 61 . ILE . 19397 1 62 . ASP . 19397 1 63 . LYS . 19397 1 64 . GLU . 19397 1 65 . LYS . 19397 1 66 . THR . 19397 1 67 . ILE . 19397 1 68 . HIS . 19397 1 69 . LEU . 19397 1 70 . THR . 19397 1 71 . LEU . 19397 1 72 . LYS . 19397 1 73 . VAL . 19397 1 74 . VAL . 19397 1 75 . LYS . 19397 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 . LEU 1 1 19397 1 . CYS 2 2 19397 1 . VAL 3 3 19397 1 . HIS 4 4 19397 1 . VAL 5 5 19397 1 . ARG 6 6 19397 1 . SER 7 7 19397 1 . GLU 8 8 19397 1 . GLU 9 9 19397 1 . TRP 10 10 19397 1 . ASP 11 11 19397 1 . LEU 12 12 19397 1 . MET 13 13 19397 1 . THR 14 14 19397 1 . PHE 15 15 19397 1 . ASP 16 16 19397 1 . ALA 17 17 19397 1 . ASN 18 18 19397 1 . PRO 19 19 19397 1 . TYR 20 20 19397 1 . ASP 21 21 19397 1 . SER 22 22 19397 1 . VAL 23 23 19397 1 . LEU 24 24 19397 1 . LYS 25 25 19397 1 . ILE 26 26 19397 1 . LYS 27 27 19397 1 . GLU 28 28 19397 1 . HIS 29 29 19397 1 . VAL 30 30 19397 1 . ARG 31 31 19397 1 . SER 32 32 19397 1 . LYS 33 33 19397 1 . THR 34 34 19397 1 . LYS 35 35 19397 1 . VAL 36 36 19397 1 . PRO 37 37 19397 1 . VAL 38 38 19397 1 . GLN 39 39 19397 1 . ASP 40 40 19397 1 . GLN 41 41 19397 1 . VAL 42 42 19397 1 . LEU 43 43 19397 1 . LEU 44 44 19397 1 . LEU 45 45 19397 1 . GLY 46 46 19397 1 . SER 47 47 19397 1 . LYS 48 48 19397 1 . ILE 49 49 19397 1 . LEU 50 50 19397 1 . LYS 51 51 19397 1 . PRO 52 52 19397 1 . ARG 53 53 19397 1 . ARG 54 54 19397 1 . SER 55 55 19397 1 . LEU 56 56 19397 1 . SER 57 57 19397 1 . SER 58 58 19397 1 . TYR 59 59 19397 1 . GLY 60 60 19397 1 . ILE 61 61 19397 1 . ASP 62 62 19397 1 . LYS 63 63 19397 1 . GLU 64 64 19397 1 . LYS 65 65 19397 1 . THR 66 66 19397 1 . ILE 67 67 19397 1 . HIS 68 68 19397 1 . LEU 69 69 19397 1 . THR 70 70 19397 1 . LEU 71 71 19397 1 . LYS 72 72 19397 1 . VAL 73 73 19397 1 . VAL 74 74 19397 1 . LYS 75 75 19397 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 19397 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FAT10 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19397 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 19397 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FAT10 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET32a . . . . . . 19397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19397 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 0.01 . . mM . . . . 19397 1 2 DTT 'natural abundance' . . . . . . 0.01 . . mM . . . . 19397 1 3 FAT10 '[U-100% 15N]' . . 1 $FAT10 . . 0.4 . . mM . . . . 19397 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19397 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19397 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 19397 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19397 1 pH 7.4 . pH 19397 1 pressure 1 . atm 19397 1 temperature 298.15 . K 19397 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19397 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19397 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19397 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19397 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19397 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19397 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19397 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19397 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19397 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19397 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19397 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19397 4 'structure solution' 19397 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19397 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19397 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19397 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19397 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19397 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19397 6 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 19397 _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 19397 _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 . . . 19397 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 19397 _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 . . . . . . . . . . . . . . . . 19397 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19397 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19397 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 19397 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm . external indirect 1.00000000 . . . . . . . . . 19397 1 N 15 water protons . . . . ppm . external indirect 0.10000000 . . . . . . . . . 19397 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 19397 _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 2 '3D 1H-15N TOCSY' . . . 19397 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 LEU HA H 1 4.640 . . . . . . A 1 LEU HA . 19397 1 2 . 1 1 1 1 LEU HB2 H 1 1.275 . . . . . . A 1 LEU HB2 . 19397 1 3 . 1 1 1 1 LEU HG H 1 1.189 . . . . . . A 1 LEU HG . 19397 1 4 . 1 1 1 1 LEU HD11 H 1 0.591 . . . . . . A 1 LEU HD11 . 19397 1 5 . 1 1 1 1 LEU HD12 H 1 0.591 . . . . . . A 1 LEU HD12 . 19397 1 6 . 1 1 1 1 LEU HD13 H 1 0.591 . . . . . . A 1 LEU HD13 . 19397 1 7 . 1 1 1 1 LEU HD21 H 1 0.480 . . . . . . A 1 LEU HD21 . 19397 1 8 . 1 1 1 1 LEU HD22 H 1 0.480 . . . . . . A 1 LEU HD22 . 19397 1 9 . 1 1 1 1 LEU HD23 H 1 0.480 . . . . . . A 1 LEU HD23 . 19397 1 10 . 1 1 1 1 LEU H H 1 8.669 . . . . . . A 1 LEU H1 . 19397 1 11 . 1 1 1 1 LEU N N 15 123.014 . . . . . . A 1 LEU N . 19397 1 12 . 1 1 2 2 CYS H H 1 8.271 . . . . . . A 2 CYS H . 19397 1 13 . 1 1 2 2 CYS HA H 1 4.643 . . . . . . A 2 CYS HA . 19397 1 14 . 1 1 2 2 CYS HB2 H 1 2.714 . . . . . . A 2 CYS HB2 . 19397 1 15 . 1 1 2 2 CYS N N 15 123.896 . . . . . . A 2 CYS N . 19397 1 16 . 1 1 3 3 VAL H H 1 8.930 . . . . . . A 3 VAL H . 19397 1 17 . 1 1 3 3 VAL HA H 1 4.225 . . . . . . A 3 VAL HA . 19397 1 18 . 1 1 3 3 VAL HB H 1 1.708 . . . . . . A 3 VAL HB . 19397 1 19 . 1 1 3 3 VAL HG11 H 1 0.588 . . . . . . A 3 VAL HG11 . 19397 1 20 . 1 1 3 3 VAL HG12 H 1 0.588 . . . . . . A 3 VAL HG12 . 19397 1 21 . 1 1 3 3 VAL HG13 H 1 0.588 . . . . . . A 3 VAL HG13 . 19397 1 22 . 1 1 3 3 VAL HG21 H 1 0.648 . . . . . . A 3 VAL HG21 . 19397 1 23 . 1 1 3 3 VAL HG22 H 1 0.648 . . . . . . A 3 VAL HG22 . 19397 1 24 . 1 1 3 3 VAL HG23 H 1 0.648 . . . . . . A 3 VAL HG23 . 19397 1 25 . 1 1 3 3 VAL N N 15 128.209 . . . . . . A 3 VAL N . 19397 1 26 . 1 1 4 4 HIS H H 1 8.723 . . . . . . A 4 HIS H . 19397 1 27 . 1 1 4 4 HIS HA H 1 5.364 . . . . . . A 4 HIS HA . 19397 1 28 . 1 1 4 4 HIS HB2 H 1 2.973 . . . . . . A 4 HIS HB2 . 19397 1 29 . 1 1 4 4 HIS HB3 H 1 2.734 . . . . . . A 4 HIS HB3 . 19397 1 30 . 1 1 4 4 HIS N N 15 126.227 . . . . . . A 4 HIS N . 19397 1 31 . 1 1 5 5 VAL H H 1 9.400 . . . . . . A 5 VAL H . 19397 1 32 . 1 1 5 5 VAL HA H 1 4.636 . . . . . . A 5 VAL HA . 19397 1 33 . 1 1 5 5 VAL HB H 1 2.100 . . . . . . A 5 VAL HB . 19397 1 34 . 1 1 5 5 VAL HG11 H 1 0.652 . . . . . . A 5 VAL HG11 . 19397 1 35 . 1 1 5 5 VAL HG12 H 1 0.652 . . . . . . A 5 VAL HG12 . 19397 1 36 . 1 1 5 5 VAL HG13 H 1 0.652 . . . . . . A 5 VAL HG13 . 19397 1 37 . 1 1 5 5 VAL HG21 H 1 0.817 . . . . . . A 5 VAL HG21 . 19397 1 38 . 1 1 5 5 VAL HG22 H 1 0.817 . . . . . . A 5 VAL HG22 . 19397 1 39 . 1 1 5 5 VAL HG23 H 1 0.817 . . . . . . A 5 VAL HG23 . 19397 1 40 . 1 1 5 5 VAL N N 15 122.706 . . . . . . A 5 VAL N . 19397 1 41 . 1 1 6 6 ARG H H 1 8.874 . . . . . . A 6 ARG H . 19397 1 42 . 1 1 6 6 ARG HA H 1 4.992 . . . . . . A 6 ARG HA . 19397 1 43 . 1 1 6 6 ARG HB2 H 1 1.898 . . . . . . A 6 ARG HB2 . 19397 1 44 . 1 1 6 6 ARG HG2 H 1 1.714 . . . . . . A 6 ARG HG2 . 19397 1 45 . 1 1 6 6 ARG HD2 H 1 3.175 . . . . . . A 6 ARG HD2 . 19397 1 46 . 1 1 6 6 ARG N N 15 130.121 . . . . . . A 6 ARG N . 19397 1 47 . 1 1 7 7 SER H H 1 8.936 . . . . . . A 7 SER H . 19397 1 48 . 1 1 7 7 SER HA H 1 5.085 . . . . . . A 7 SER HA . 19397 1 49 . 1 1 7 7 SER HB2 H 1 4.023 . . . . . . A 7 SER HB2 . 19397 1 50 . 1 1 7 7 SER N N 15 117.297 . . . . . . A 7 SER N . 19397 1 51 . 1 1 10 10 TRP H H 1 7.235 . . . . . . A 10 TRP H . 19397 1 52 . 1 1 10 10 TRP HA H 1 4.745 . . . . . . A 10 TRP HA . 19397 1 53 . 1 1 10 10 TRP HB2 H 1 3.770 . . . . . . A 10 TRP HB2 . 19397 1 54 . 1 1 10 10 TRP HE1 H 1 9.910 . . . . . . A 10 TRP HE1 . 19397 1 55 . 1 1 10 10 TRP NE1 N 15 128.279 . . . . . . A 10 TRP NE1 . 19397 1 56 . 1 1 11 11 ASP H H 1 7.665 . . . . . . A 11 ASP H . 19397 1 57 . 1 1 11 11 ASP HA H 1 4.791 . . . . . . A 11 ASP HA . 19397 1 58 . 1 1 11 11 ASP HB2 H 1 3.340 . . . . . . A 11 ASP HB2 . 19397 1 59 . 1 1 11 11 ASP HB3 H 1 2.948 . . . . . . A 11 ASP HB3 . 19397 1 60 . 1 1 11 11 ASP N N 15 117.787 . . . . . . A 11 ASP N . 19397 1 61 . 1 1 13 13 MET H H 1 8.827 . . . . . . A 13 MET H . 19397 1 62 . 1 1 13 13 MET HA H 1 4.858 . . . . . . A 13 MET HA . 19397 1 63 . 1 1 13 13 MET HB2 H 1 2.363 . . . . . . A 13 MET HB2 . 19397 1 64 . 1 1 13 13 MET HG2 H 1 2.948 . . . . . . A 13 MET HG2 . 19397 1 65 . 1 1 13 13 MET N N 15 122.940 . . . . . . A 13 MET N . 19397 1 66 . 1 1 14 14 THR H H 1 8.273 . . . . . . A 14 THR H . 19397 1 67 . 1 1 14 14 THR HA H 1 5.262 . . . . . . A 14 THR HA . 19397 1 68 . 1 1 14 14 THR HB H 1 4.706 . . . . . . A 14 THR HB . 19397 1 69 . 1 1 14 14 THR HG21 H 1 2.492 . . . . . . A 14 THR HG21 . 19397 1 70 . 1 1 14 14 THR HG22 H 1 2.492 . . . . . . A 14 THR HG22 . 19397 1 71 . 1 1 14 14 THR HG23 H 1 2.492 . . . . . . A 14 THR HG23 . 19397 1 72 . 1 1 14 14 THR N N 15 121.214 . . . . . . A 14 THR N . 19397 1 73 . 1 1 16 16 ASP H H 1 8.719 . . . . . . A 16 ASP H . 19397 1 74 . 1 1 16 16 ASP HA H 1 4.621 . . . . . . A 16 ASP HA . 19397 1 75 . 1 1 16 16 ASP HB2 H 1 1.278 . . . . . . A 16 ASP HB2 . 19397 1 76 . 1 1 16 16 ASP HB3 H 1 1.177 . . . . . . A 16 ASP HB3 . 19397 1 77 . 1 1 16 16 ASP N N 15 122.962 . . . . . . A 16 ASP N . 19397 1 78 . 1 1 17 17 ALA H H 1 8.670 . . . . . . A 17 ALA H . 19397 1 79 . 1 1 17 17 ALA HA H 1 5.131 . . . . . . A 17 ALA HA . 19397 1 80 . 1 1 17 17 ALA HB1 H 1 2.164 . . . . . . A 17 ALA HB1 . 19397 1 81 . 1 1 17 17 ALA HB2 H 1 2.164 . . . . . . A 17 ALA HB2 . 19397 1 82 . 1 1 17 17 ALA HB3 H 1 2.164 . . . . . . A 17 ALA HB3 . 19397 1 83 . 1 1 17 17 ALA N N 15 118.368 . . . . . . A 17 ALA N . 19397 1 84 . 1 1 18 18 ASN N N 15 123.103 . . . . . . A 18 ASN N . 19397 1 85 . 1 1 20 20 TYR H H 1 7.004 . . . . . . A 20 TYR H . 19397 1 86 . 1 1 20 20 TYR HA H 1 4.588 . . . . . . A 20 TYR HA . 19397 1 87 . 1 1 20 20 TYR HB2 H 1 3.157 . . . . . . A 20 TYR HB2 . 19397 1 88 . 1 1 20 20 TYR HB3 H 1 3.110 . . . . . . A 20 TYR HB3 . 19397 1 89 . 1 1 20 20 TYR N N 15 128.229 . . . . . . A 20 TYR N . 19397 1 90 . 1 1 21 21 ASP H H 1 7.590 . . . . . . A 21 ASP H . 19397 1 91 . 1 1 21 21 ASP HA H 1 4.671 . . . . . . A 21 ASP HA . 19397 1 92 . 1 1 21 21 ASP HB2 H 1 2.885 . . . . . . A 21 ASP HB2 . 19397 1 93 . 1 1 21 21 ASP HB3 H 1 2.632 . . . . . . A 21 ASP HB3 . 19397 1 94 . 1 1 23 23 VAL H H 1 8.753 . . . . . . A 23 VAL H . 19397 1 95 . 1 1 23 23 VAL HA H 1 3.415 . . . . . . A 23 VAL HA . 19397 1 96 . 1 1 23 23 VAL HB H 1 2.487 . . . . . . A 23 VAL HB . 19397 1 97 . 1 1 23 23 VAL HG11 H 1 0.647 . . . . . . A 23 VAL HG11 . 19397 1 98 . 1 1 23 23 VAL HG12 H 1 0.647 . . . . . . A 23 VAL HG12 . 19397 1 99 . 1 1 23 23 VAL HG13 H 1 0.647 . . . . . . A 23 VAL HG13 . 19397 1 100 . 1 1 23 23 VAL HG21 H 1 0.971 . . . . . . A 23 VAL HG21 . 19397 1 101 . 1 1 23 23 VAL HG22 H 1 0.971 . . . . . . A 23 VAL HG22 . 19397 1 102 . 1 1 23 23 VAL HG23 H 1 0.971 . . . . . . A 23 VAL HG23 . 19397 1 103 . 1 1 23 23 VAL N N 15 123.649 . . . . . . A 23 VAL N . 19397 1 104 . 1 1 25 25 LYS H H 1 7.760 . . . . . . A 25 LYS H . 19397 1 105 . 1 1 25 25 LYS HA H 1 3.871 . . . . . . A 25 LYS HA . 19397 1 106 . 1 1 25 25 LYS HB2 H 1 1.923 . . . . . . A 25 LYS HB2 . 19397 1 107 . 1 1 25 25 LYS HB3 H 1 1.358 . . . . . . A 25 LYS HB3 . 19397 1 108 . 1 1 25 25 LYS HG2 H 1 1.759 . . . . . . A 25 LYS HG2 . 19397 1 109 . 1 1 25 25 LYS N N 15 119.120 . . . . . . A 25 LYS N . 19397 1 110 . 1 1 26 26 ILE H H 1 7.324 . . . . . . A 26 ILE H . 19397 1 111 . 1 1 26 26 ILE HA H 1 3.508 . . . . . . A 26 ILE HA . 19397 1 112 . 1 1 26 26 ILE HB H 1 2.214 . . . . . . A 26 ILE HB . 19397 1 113 . 1 1 26 26 ILE HG12 H 1 0.739 . . . . . . A 26 ILE HG12 . 19397 1 114 . 1 1 26 26 ILE N N 15 117.483 . . . . . . A 26 ILE N . 19397 1 115 . 1 1 27 27 LYS H H 1 7.665 . . . . . . A 27 LYS H . 19397 1 116 . 1 1 27 27 LYS HA H 1 4.400 . . . . . . A 27 LYS HA . 19397 1 117 . 1 1 27 27 LYS HB2 H 1 2.202 . . . . . . A 27 LYS HB2 . 19397 1 118 . 1 1 27 27 LYS HB3 H 1 1.911 . . . . . . A 27 LYS HB3 . 19397 1 119 . 1 1 27 27 LYS N N 15 119.349 . . . . . . A 27 LYS N . 19397 1 120 . 1 1 28 28 GLU H H 1 8.379 . . . . . . A 28 GLU H . 19397 1 121 . 1 1 28 28 GLU HA H 1 3.770 . . . . . . A 28 GLU HA . 19397 1 122 . 1 1 28 28 GLU HB2 H 1 2.054 . . . . . . A 28 GLU HB2 . 19397 1 123 . 1 1 28 28 GLU HG2 H 1 2.363 . . . . . . A 28 GLU HG2 . 19397 1 124 . 1 1 28 28 GLU N N 15 121.785 . . . . . . A 28 GLU N . 19397 1 125 . 1 1 29 29 HIS H H 1 7.590 . . . . . . A 29 HIS H . 19397 1 126 . 1 1 29 29 HIS HA H 1 4.203 . . . . . . A 29 HIS HA . 19397 1 127 . 1 1 29 29 HIS HB2 H 1 2.492 . . . . . . A 29 HIS HB2 . 19397 1 128 . 1 1 29 29 HIS HB3 H 1 1.835 . . . . . . A 29 HIS HB3 . 19397 1 129 . 1 1 29 29 HIS N N 15 122.422 . . . . . . A 29 HIS N . 19397 1 130 . 1 1 30 30 VAL H H 1 8.412 . . . . . . A 30 VAL H . 19397 1 131 . 1 1 30 30 VAL HA H 1 3.477 . . . . . . A 30 VAL HA . 19397 1 132 . 1 1 30 30 VAL HB H 1 2.543 . . . . . . A 30 VAL HB . 19397 1 133 . 1 1 30 30 VAL HG11 H 1 0.557 . . . . . . A 30 VAL HG11 . 19397 1 134 . 1 1 30 30 VAL HG12 H 1 0.557 . . . . . . A 30 VAL HG12 . 19397 1 135 . 1 1 30 30 VAL HG13 H 1 0.557 . . . . . . A 30 VAL HG13 . 19397 1 136 . 1 1 30 30 VAL HG21 H 1 1.025 . . . . . . A 30 VAL HG21 . 19397 1 137 . 1 1 30 30 VAL HG22 H 1 1.025 . . . . . . A 30 VAL HG22 . 19397 1 138 . 1 1 30 30 VAL HG23 H 1 1.025 . . . . . . A 30 VAL HG23 . 19397 1 139 . 1 1 30 30 VAL N N 15 121.437 . . . . . . A 30 VAL N . 19397 1 140 . 1 1 32 32 SER N N 15 121.037 . . . . . . A 32 SER N . 19397 1 141 . 1 1 33 33 LYS H H 1 8.918 . . . . . . A 33 LYS H . 19397 1 142 . 1 1 33 33 LYS HA H 1 3.757 . . . . . . A 33 LYS HA . 19397 1 143 . 1 1 33 33 LYS HB2 H 1 2.037 . . . . . . A 33 LYS HB2 . 19397 1 144 . 1 1 33 33 LYS HB3 H 1 1.557 . . . . . . A 33 LYS HB3 . 19397 1 145 . 1 1 33 33 LYS N N 15 125.831 . . . . . . A 33 LYS N . 19397 1 146 . 1 1 34 34 THR H H 1 7.961 . . . . . . A 34 THR H . 19397 1 147 . 1 1 34 34 THR HA H 1 4.111 . . . . . . A 34 THR HA . 19397 1 148 . 1 1 34 34 THR HB H 1 4.004 . . . . . . A 34 THR HB . 19397 1 149 . 1 1 34 34 THR HG21 H 1 0.971 . . . . . . A 34 THR HG21 . 19397 1 150 . 1 1 34 34 THR HG22 H 1 0.971 . . . . . . A 34 THR HG22 . 19397 1 151 . 1 1 34 34 THR HG23 H 1 0.971 . . . . . . A 34 THR HG23 . 19397 1 152 . 1 1 34 34 THR N N 15 116.691 . . . . . . A 34 THR N . 19397 1 153 . 1 1 35 35 LYS H H 1 7.064 . . . . . . A 35 LYS H . 19397 1 154 . 1 1 35 35 LYS HA H 1 4.352 . . . . . . A 35 LYS HA . 19397 1 155 . 1 1 35 35 LYS HB2 H 1 1.938 . . . . . . A 35 LYS HB2 . 19397 1 156 . 1 1 35 35 LYS HB3 H 1 1.877 . . . . . . A 35 LYS HB3 . 19397 1 157 . 1 1 35 35 LYS HG2 H 1 1.479 . . . . . . A 35 LYS HG2 . 19397 1 158 . 1 1 35 35 LYS HD2 H 1 1.673 . . . . . . A 35 LYS HD2 . 19397 1 159 . 1 1 35 35 LYS HE2 H 1 2.935 . . . . . . A 35 LYS HE2 . 19397 1 160 . 1 1 35 35 LYS N N 15 117.623 . . . . . . A 35 LYS N . 19397 1 161 . 1 1 36 36 VAL H H 1 7.918 . . . . . . A 36 VAL H . 19397 1 162 . 1 1 36 36 VAL HA H 1 3.770 . . . . . . A 36 VAL HA . 19397 1 163 . 1 1 36 36 VAL HB H 1 2.935 . . . . . . A 36 VAL HB . 19397 1 164 . 1 1 36 36 VAL HG11 H 1 0.028 . . . . . . A 36 VAL HG11 . 19397 1 165 . 1 1 36 36 VAL HG12 H 1 0.028 . . . . . . A 36 VAL HG12 . 19397 1 166 . 1 1 36 36 VAL HG13 H 1 0.028 . . . . . . A 36 VAL HG13 . 19397 1 167 . 1 1 36 36 VAL HG21 H 1 0.570 . . . . . . A 36 VAL HG21 . 19397 1 168 . 1 1 36 36 VAL HG22 H 1 0.570 . . . . . . A 36 VAL HG22 . 19397 1 169 . 1 1 36 36 VAL HG23 H 1 0.570 . . . . . . A 36 VAL HG23 . 19397 1 170 . 1 1 36 36 VAL N N 15 125.248 . . . . . . A 36 VAL N . 19397 1 171 . 1 1 38 38 VAL H H 1 8.409 . . . . . . A 38 VAL H . 19397 1 172 . 1 1 38 38 VAL HA H 1 4.078 . . . . . . A 38 VAL HA . 19397 1 173 . 1 1 38 38 VAL HB H 1 1.923 . . . . . . A 38 VAL HB . 19397 1 174 . 1 1 38 38 VAL HG11 H 1 0.809 . . . . . . A 38 VAL HG11 . 19397 1 175 . 1 1 38 38 VAL HG12 H 1 0.809 . . . . . . A 38 VAL HG12 . 19397 1 176 . 1 1 38 38 VAL HG13 H 1 0.809 . . . . . . A 38 VAL HG13 . 19397 1 177 . 1 1 38 38 VAL HG21 H 1 0.867 . . . . . . A 38 VAL HG21 . 19397 1 178 . 1 1 38 38 VAL HG22 H 1 0.867 . . . . . . A 38 VAL HG22 . 19397 1 179 . 1 1 38 38 VAL HG23 H 1 0.867 . . . . . . A 38 VAL HG23 . 19397 1 180 . 1 1 39 39 GLN H H 1 8.793 . . . . . . A 39 GLN H . 19397 1 181 . 1 1 39 39 GLN HA H 1 4.162 . . . . . . A 39 GLN HA . 19397 1 182 . 1 1 39 39 GLN HB2 H 1 2.031 . . . . . . A 39 GLN HB2 . 19397 1 183 . 1 1 39 39 GLN HB3 H 1 1.937 . . . . . . A 39 GLN HB3 . 19397 1 184 . 1 1 39 39 GLN HG2 H 1 2.378 . . . . . . A 39 GLN HG2 . 19397 1 185 . 1 1 39 39 GLN N N 15 115.805 . . . . . . A 39 GLN N . 19397 1 186 . 1 1 40 40 ASP H H 1 7.590 . . . . . . A 40 ASP H . 19397 1 187 . 1 1 40 40 ASP HA H 1 4.769 . . . . . . A 40 ASP HA . 19397 1 188 . 1 1 40 40 ASP HB2 H 1 3.074 . . . . . . A 40 ASP HB2 . 19397 1 189 . 1 1 40 40 ASP HB3 H 1 2.467 . . . . . . A 40 ASP HB3 . 19397 1 190 . 1 1 40 40 ASP N N 15 120.069 . . . . . . A 40 ASP N . 19397 1 191 . 1 1 41 41 GLN H H 1 7.046 . . . . . . A 41 GLN H . 19397 1 192 . 1 1 41 41 GLN HA H 1 4.453 . . . . . . A 41 GLN HA . 19397 1 193 . 1 1 41 41 GLN HB2 H 1 1.835 . . . . . . A 41 GLN HB2 . 19397 1 194 . 1 1 41 41 GLN HB3 H 1 1.569 . . . . . . A 41 GLN HB3 . 19397 1 195 . 1 1 41 41 GLN HG2 H 1 2.556 . . . . . . A 41 GLN HG2 . 19397 1 196 . 1 1 41 41 GLN HG3 H 1 2.463 . . . . . . A 41 GLN HG3 . 19397 1 197 . 1 1 41 41 GLN N N 15 117.974 . . . . . . A 41 GLN N . 19397 1 198 . 1 1 42 42 VAL H H 1 8.842 . . . . . . A 42 VAL H . 19397 1 199 . 1 1 42 42 VAL HA H 1 4.175 . . . . . . A 42 VAL HA . 19397 1 200 . 1 1 42 42 VAL HB H 1 1.873 . . . . . . A 42 VAL HB . 19397 1 201 . 1 1 42 42 VAL HG11 H 1 0.779 . . . . . . A 42 VAL HG11 . 19397 1 202 . 1 1 42 42 VAL HG12 H 1 0.779 . . . . . . A 42 VAL HG12 . 19397 1 203 . 1 1 42 42 VAL HG13 H 1 0.779 . . . . . . A 42 VAL HG13 . 19397 1 204 . 1 1 42 42 VAL HG21 H 1 0.851 . . . . . . A 42 VAL HG21 . 19397 1 205 . 1 1 42 42 VAL HG22 H 1 0.851 . . . . . . A 42 VAL HG22 . 19397 1 206 . 1 1 42 42 VAL HG23 H 1 0.851 . . . . . . A 42 VAL HG23 . 19397 1 207 . 1 1 42 42 VAL N N 15 123.686 . . . . . . A 42 VAL N . 19397 1 208 . 1 1 43 43 LEU H H 1 9.208 . . . . . . A 43 LEU H . 19397 1 209 . 1 1 43 43 LEU HA H 1 5.450 . . . . . . A 43 LEU HA . 19397 1 210 . 1 1 43 43 LEU HB2 H 1 1.519 . . . . . . A 43 LEU HB2 . 19397 1 211 . 1 1 43 43 LEU HG H 1 1.114 . . . . . . A 43 LEU HG . 19397 1 212 . 1 1 43 43 LEU N N 15 126.600 . . . . . . A 43 LEU N . 19397 1 213 . 1 1 44 44 LEU H H 1 9.107 . . . . . . A 44 LEU H . 19397 1 214 . 1 1 44 44 LEU HA H 1 5.178 . . . . . . A 44 LEU HA . 19397 1 215 . 1 1 44 44 LEU HB2 H 1 1.455 . . . . . . A 44 LEU HB2 . 19397 1 216 . 1 1 44 44 LEU HG H 1 1.319 . . . . . . A 44 LEU HG . 19397 1 217 . 1 1 44 44 LEU HD11 H 1 0.722 . . . . . . A 44 LEU HD11 . 19397 1 218 . 1 1 44 44 LEU HD12 H 1 0.722 . . . . . . A 44 LEU HD12 . 19397 1 219 . 1 1 44 44 LEU HD13 H 1 0.722 . . . . . . A 44 LEU HD13 . 19397 1 220 . 1 1 44 44 LEU N N 15 120.515 . . . . . . A 44 LEU N . 19397 1 221 . 1 1 45 45 LEU H H 1 8.551 . . . . . . A 45 LEU H . 19397 1 222 . 1 1 45 45 LEU HA H 1 4.706 . . . . . . A 45 LEU HA . 19397 1 223 . 1 1 45 45 LEU HB2 H 1 1.759 . . . . . . A 45 LEU HB2 . 19397 1 224 . 1 1 45 45 LEU HG H 1 1.485 . . . . . . A 45 LEU HG . 19397 1 225 . 1 1 45 45 LEU HD11 H 1 0.954 . . . . . . A 45 LEU HD11 . 19397 1 226 . 1 1 45 45 LEU HD12 H 1 0.954 . . . . . . A 45 LEU HD12 . 19397 1 227 . 1 1 45 45 LEU HD13 H 1 0.954 . . . . . . A 45 LEU HD13 . 19397 1 228 . 1 1 45 45 LEU N N 15 124.199 . . . . . . A 45 LEU N . 19397 1 229 . 1 1 48 48 LYS H H 1 7.982 . . . . . . A 48 LYS H . 19397 1 230 . 1 1 48 48 LYS HA H 1 4.339 . . . . . . A 48 LYS HA . 19397 1 231 . 1 1 48 48 LYS HB2 H 1 1.916 . . . . . . A 48 LYS HB2 . 19397 1 232 . 1 1 48 48 LYS HB3 H 1 1.832 . . . . . . A 48 LYS HB3 . 19397 1 233 . 1 1 48 48 LYS HG2 H 1 1.475 . . . . . . A 48 LYS HG2 . 19397 1 234 . 1 1 48 48 LYS HG3 H 1 1.412 . . . . . . A 48 LYS HG3 . 19397 1 235 . 1 1 48 48 LYS HD2 H 1 1.747 . . . . . . A 48 LYS HD2 . 19397 1 236 . 1 1 48 48 LYS HE2 H 1 3.112 . . . . . . A 48 LYS HE2 . 19397 1 237 . 1 1 48 48 LYS N N 15 124.618 . . . . . . A 48 LYS N . 19397 1 238 . 1 1 49 49 ILE H H 1 8.399 . . . . . . A 49 ILE H . 19397 1 239 . 1 1 49 49 ILE HA H 1 4.018 . . . . . . A 49 ILE HA . 19397 1 240 . 1 1 49 49 ILE HB H 1 1.607 . . . . . . A 49 ILE HB . 19397 1 241 . 1 1 49 49 ILE HD11 H 1 0.844 . . . . . . A 49 ILE HD11 . 19397 1 242 . 1 1 49 49 ILE HD12 H 1 0.844 . . . . . . A 49 ILE HD12 . 19397 1 243 . 1 1 49 49 ILE HD13 H 1 0.844 . . . . . . A 49 ILE HD13 . 19397 1 244 . 1 1 49 49 ILE N N 15 126.507 . . . . . . A 49 ILE N . 19397 1 245 . 1 1 50 50 LEU H H 1 8.652 . . . . . . A 50 LEU H . 19397 1 246 . 1 1 50 50 LEU HA H 1 4.126 . . . . . . A 50 LEU HA . 19397 1 247 . 1 1 50 50 LEU HB2 H 1 1.544 . . . . . . A 50 LEU HB2 . 19397 1 248 . 1 1 50 50 LEU HG H 1 1.358 . . . . . . A 50 LEU HG . 19397 1 249 . 1 1 50 50 LEU HD11 H 1 1.018 . . . . . . A 50 LEU HD11 . 19397 1 250 . 1 1 50 50 LEU HD12 H 1 1.018 . . . . . . A 50 LEU HD12 . 19397 1 251 . 1 1 50 50 LEU HD13 H 1 1.018 . . . . . . A 50 LEU HD13 . 19397 1 252 . 1 1 50 50 LEU N N 15 128.139 . . . . . . A 50 LEU N . 19397 1 253 . 1 1 51 51 LYS H H 1 8.132 . . . . . . A 51 LYS H . 19397 1 254 . 1 1 51 51 LYS HA H 1 4.714 . . . . . . A 51 LYS HA . 19397 1 255 . 1 1 51 51 LYS HB2 H 1 2.075 . . . . . . A 51 LYS HB2 . 19397 1 256 . 1 1 51 51 LYS HB3 H 1 1.683 . . . . . . A 51 LYS HB3 . 19397 1 257 . 1 1 51 51 LYS HG2 H 1 1.493 . . . . . . A 51 LYS HG2 . 19397 1 258 . 1 1 51 51 LYS N N 15 123.009 . . . . . . A 51 LYS N . 19397 1 259 . 1 1 56 56 LEU H H 1 8.627 . . . . . . A 56 LEU H . 19397 1 260 . 1 1 56 56 LEU HA H 1 4.188 . . . . . . A 56 LEU HA . 19397 1 261 . 1 1 56 56 LEU HB2 H 1 2.050 . . . . . . A 56 LEU HB2 . 19397 1 262 . 1 1 56 56 LEU HG H 1 1.714 . . . . . . A 56 LEU HG . 19397 1 263 . 1 1 56 56 LEU N N 15 123.359 . . . . . . A 56 LEU N . 19397 1 264 . 1 1 57 57 SER H H 1 8.719 . . . . . . A 57 SER H . 19397 1 265 . 1 1 57 57 SER HA H 1 4.265 . . . . . . A 57 SER HA . 19397 1 266 . 1 1 57 57 SER N N 15 113.706 . . . . . . A 57 SER N . 19397 1 267 . 1 1 59 59 TYR H H 1 7.737 . . . . . . A 59 TYR H . 19397 1 268 . 1 1 59 59 TYR HA H 1 4.536 . . . . . . A 59 TYR HA . 19397 1 269 . 1 1 59 59 TYR HB2 H 1 3.338 . . . . . . A 59 TYR HB2 . 19397 1 270 . 1 1 59 59 TYR HB3 H 1 2.753 . . . . . . A 59 TYR HB3 . 19397 1 271 . 1 1 59 59 TYR N N 15 120.883 . . . . . . A 59 TYR N . 19397 1 272 . 1 1 61 61 ILE H H 1 6.997 . . . . . . A 61 ILE H . 19397 1 273 . 1 1 61 61 ILE HA H 1 4.099 . . . . . . A 61 ILE HA . 19397 1 274 . 1 1 61 61 ILE HB H 1 1.784 . . . . . . A 61 ILE HB . 19397 1 275 . 1 1 61 61 ILE HG12 H 1 1.278 . . . . . . A 61 ILE HG12 . 19397 1 276 . 1 1 61 61 ILE HG13 H 1 1.141 . . . . . . A 61 ILE HG13 . 19397 1 277 . 1 1 61 61 ILE HD11 H 1 0.770 . . . . . . A 61 ILE HD11 . 19397 1 278 . 1 1 61 61 ILE HD12 H 1 0.770 . . . . . . A 61 ILE HD12 . 19397 1 279 . 1 1 61 61 ILE HD13 H 1 0.770 . . . . . . A 61 ILE HD13 . 19397 1 280 . 1 1 61 61 ILE N N 15 117.591 . . . . . . A 61 ILE N . 19397 1 281 . 1 1 64 64 GLU H H 1 8.132 . . . . . . A 64 GLU H . 19397 1 282 . 1 1 64 64 GLU HA H 1 4.559 . . . . . . A 64 GLU HA . 19397 1 283 . 1 1 64 64 GLU HB2 H 1 1.911 . . . . . . A 64 GLU HB2 . 19397 1 284 . 1 1 64 64 GLU HB3 H 1 1.759 . . . . . . A 64 GLU HB3 . 19397 1 285 . 1 1 64 64 GLU HG2 H 1 2.657 . . . . . . A 64 GLU HG2 . 19397 1 286 . 1 1 64 64 GLU HG3 H 1 2.533 . . . . . . A 64 GLU HG3 . 19397 1 287 . 1 1 64 64 GLU N N 15 126.670 . . . . . . A 64 GLU N . 19397 1 288 . 1 1 67 67 ILE H H 1 8.488 . . . . . . A 67 ILE H . 19397 1 289 . 1 1 67 67 ILE HA H 1 4.497 . . . . . . A 67 ILE HA . 19397 1 290 . 1 1 67 67 ILE HB H 1 1.721 . . . . . . A 67 ILE HB . 19397 1 291 . 1 1 67 67 ILE HG12 H 1 1.025 . . . . . . A 67 ILE HG12 . 19397 1 292 . 1 1 67 67 ILE HG13 H 1 0.494 . . . . . . A 67 ILE HG13 . 19397 1 293 . 1 1 67 67 ILE HG21 H 1 0.785 . . . . . . A 67 ILE HG21 . 19397 1 294 . 1 1 67 67 ILE HG22 H 1 0.785 . . . . . . A 67 ILE HG22 . 19397 1 295 . 1 1 67 67 ILE HG23 H 1 0.785 . . . . . . A 67 ILE HG23 . 19397 1 296 . 1 1 67 67 ILE N N 15 121.803 . . . . . . A 67 ILE N . 19397 1 297 . 1 1 68 68 HIS H H 1 8.425 . . . . . . A 68 HIS H . 19397 1 298 . 1 1 68 68 HIS HA H 1 5.131 . . . . . . A 68 HIS HA . 19397 1 299 . 1 1 68 68 HIS HB2 H 1 3.013 . . . . . . A 68 HIS HB2 . 19397 1 300 . 1 1 68 68 HIS HB3 H 1 2.929 . . . . . . A 68 HIS HB3 . 19397 1 301 . 1 1 68 68 HIS N N 15 124.455 . . . . . . A 68 HIS N . 19397 1 302 . 1 1 69 69 LEU H H 1 9.322 . . . . . . A 69 LEU H . 19397 1 303 . 1 1 69 69 LEU HA H 1 5.317 . . . . . . A 69 LEU HA . 19397 1 304 . 1 1 69 69 LEU HB2 H 1 1.797 . . . . . . A 69 LEU HB2 . 19397 1 305 . 1 1 69 69 LEU HG H 1 1.373 . . . . . . A 69 LEU HG . 19397 1 306 . 1 1 69 69 LEU N N 15 122.823 . . . . . . A 69 LEU N . 19397 1 307 . 1 1 70 70 THR H H 1 9.107 . . . . . . A 70 THR H . 19397 1 308 . 1 1 70 70 THR HA H 1 5.009 . . . . . . A 70 THR HA . 19397 1 309 . 1 1 70 70 THR HB H 1 4.010 . . . . . . A 70 THR HB . 19397 1 310 . 1 1 70 70 THR HG21 H 1 1.177 . . . . . . A 70 THR HG21 . 19397 1 311 . 1 1 70 70 THR HG22 H 1 1.177 . . . . . . A 70 THR HG22 . 19397 1 312 . 1 1 70 70 THR HG23 H 1 1.177 . . . . . . A 70 THR HG23 . 19397 1 313 . 1 1 70 70 THR N N 15 118.743 . . . . . . A 70 THR N . 19397 1 314 . 1 1 71 71 LEU H H 1 8.829 . . . . . . A 71 LEU H . 19397 1 315 . 1 1 71 71 LEU HA H 1 5.363 . . . . . . A 71 LEU HA . 19397 1 316 . 1 1 71 71 LEU HB2 H 1 1.683 . . . . . . A 71 LEU HB2 . 19397 1 317 . 1 1 71 71 LEU HG H 1 1.373 . . . . . . A 71 LEU HG . 19397 1 318 . 1 1 71 71 LEU HD11 H 1 1.139 . . . . . . A 71 LEU HD11 . 19397 1 319 . 1 1 71 71 LEU HD12 H 1 1.139 . . . . . . A 71 LEU HD12 . 19397 1 320 . 1 1 71 71 LEU HD13 H 1 1.139 . . . . . . A 71 LEU HD13 . 19397 1 321 . 1 1 71 71 LEU N N 15 126.880 . . . . . . A 71 LEU N . 19397 1 322 . 1 1 72 72 LYS H H 1 9.570 . . . . . . A 72 LYS H . 19397 1 323 . 1 1 72 72 LYS HA H 1 4.683 . . . . . . A 72 LYS HA . 19397 1 324 . 1 1 72 72 LYS HB2 H 1 1.771 . . . . . . A 72 LYS HB2 . 19397 1 325 . 1 1 72 72 LYS HG2 H 1 1.450 . . . . . . A 72 LYS HG2 . 19397 1 326 . 1 1 72 72 LYS HD2 H 1 1.510 . . . . . . A 72 LYS HD2 . 19397 1 327 . 1 1 72 72 LYS HE2 H 1 2.910 . . . . . . A 72 LYS HE2 . 19397 1 328 . 1 1 72 72 LYS N N 15 128.792 . . . . . . A 72 LYS N . 19397 1 329 . 1 1 73 73 VAL H H 1 8.488 . . . . . . A 73 VAL H . 19397 1 330 . 1 1 73 73 VAL HA H 1 4.807 . . . . . . A 73 VAL HA . 19397 1 331 . 1 1 73 73 VAL HB H 1 2.075 . . . . . . A 73 VAL HB . 19397 1 332 . 1 1 73 73 VAL HG21 H 1 1.051 . . . . . . A 73 VAL HG21 . 19397 1 333 . 1 1 73 73 VAL HG22 H 1 1.051 . . . . . . A 73 VAL HG22 . 19397 1 334 . 1 1 73 73 VAL HG23 H 1 1.051 . . . . . . A 73 VAL HG23 . 19397 1 335 . 1 1 73 73 VAL N N 15 120.771 . . . . . . A 73 VAL N . 19397 1 336 . 1 1 74 74 VAL H H 1 8.715 . . . . . . A 74 VAL H . 19397 1 337 . 1 1 74 74 VAL HA H 1 3.956 . . . . . . A 74 VAL HA . 19397 1 338 . 1 1 74 74 VAL HB H 1 1.974 . . . . . . A 74 VAL HB . 19397 1 339 . 1 1 74 74 VAL HG21 H 1 0.848 . . . . . . A 74 VAL HG21 . 19397 1 340 . 1 1 74 74 VAL HG22 H 1 0.848 . . . . . . A 74 VAL HG22 . 19397 1 341 . 1 1 74 74 VAL HG23 H 1 0.848 . . . . . . A 74 VAL HG23 . 19397 1 342 . 1 1 74 74 VAL N N 15 127.859 . . . . . . A 74 VAL N . 19397 1 343 . 1 1 75 75 LYS H H 1 7.729 . . . . . . A 75 LYS H . 19397 1 344 . 1 1 75 75 LYS HA H 1 4.203 . . . . . . A 75 LYS HA . 19397 1 345 . 1 1 75 75 LYS HB2 H 1 1.772 . . . . . . A 75 LYS HB2 . 19397 1 346 . 1 1 75 75 LYS HB3 H 1 1.652 . . . . . . A 75 LYS HB3 . 19397 1 347 . 1 1 75 75 LYS HG2 H 1 1.342 . . . . . . A 75 LYS HG2 . 19397 1 348 . 1 1 75 75 LYS N N 15 130.074 . . . . . . A 75 LYS N . 19397 1 stop_ save_