data_15738 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15738 _Entry.Title ; Carbon storage regulator from Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-21 _Entry.Accession_date 2008-04-21 _Entry.Last_release_date 2014-03-05 _Entry.Original_release_date 2014-03-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Chun-Jun Yang . . . 15738 2 Heng-Li Chen . . . 15738 3 Hsi-Tsung Cheng . . . 15738 4 Chui-Lin Chiu . . . 15738 5 Jya-Wei Cheng . . . 15738 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15738 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 15738 '15N chemical shifts' 75 15738 '1H chemical shifts' 147 15738 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 . . 2014-03-05 2008-04-21 original author . 15738 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15738 _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 'Structural Characterization and DNA Binding Sequence Selection of the CsrA Protein from Helicobacter pylori' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 Chun-Jun Yang . . . 15738 1 2 Heng-Li Chen . . . 15738 1 3 Hsi-Tsung Cheng . . . 15738 1 4 Chui-Lin Chiu . . . 15738 1 5 Jya-Wei Cheng . . . 15738 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CsrA 15738 1 NMR 15738 1 'RNA/DNA binding' 15738 1 SELEX 15738 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15738 _Assembly.ID 1 _Assembly.Name HP1442 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 homodimer _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 'HP1442, chain A' 1 $HP1442 A . yes native no no . . . 15738 1 2 'HP1442, chain B' 1 $HP1442 B . yes native no no . . . 15738 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP1442 _Entity.Sf_category entity _Entity.Sf_framecode HP1442 _Entity.Entry_ID 15738 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP1442 _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 ; MALILSRKVNEGIVIDDNIH IKVISIDRGSVRLGFEAPES TLILRAELKEAIVSENQKAS VCVDESLLENIKKVIKPLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 78-85 represent a non-native affinity tag and residue 2 is an artefact from cloning.' _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB NP_208233 . "carbon storage regulator" . . . . . . . . . . . . . . 15738 1 2 yes UNP O25983 . CSRA_HELPY . . . . . . . . . . . . . . 15738 1 3 no DBJ BAJ57406 . "carbon storage regulator [Helicobacter pylori F30]" . . . . . 88.24 76 98.67 98.67 6.10e-42 . . . . 15738 1 4 no DBJ BAJ58911 . "carbon storage regulator [Helicobacter pylori F32]" . . . . . 88.24 76 98.67 98.67 1.79e-41 . . . . 15738 1 5 no DBJ BAJ60431 . "carbon storage regulator [Helicobacter pylori F57]" . . . . . 88.24 76 97.33 98.67 1.06e-40 . . . . 15738 1 6 no DBJ BAM97263 . "carbon storage regulator [Helicobacter pylori OK113]" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 7 no DBJ BAM98719 . "carbon storage regulator [Helicobacter pylori OK310]" . . . . . 88.24 76 97.33 97.33 1.10e-40 . . . . 15738 1 8 no EMBL CAX30116 . "Carbon storage regulator [Helicobacter pylori B38]" . . . . . 88.24 76 98.67 100.00 3.32e-42 . . . . 15738 1 9 no EMBL CBI65651 . "carbon storage regulator [Helicobacter pylori B8]" . . . . . 88.24 76 100.00 100.00 1.02e-42 . . . . 15738 1 10 no GB AAD08480 . "carbon storage regulator (csrA) [Helicobacter pylori 26695]" . . . . . 88.24 76 100.00 100.00 1.02e-42 . . . . 15738 1 11 no GB ABF85435 . "carbon storage regulator [Helicobacter pylori HPAG1]" . . . . . 88.24 76 97.33 98.67 1.20e-41 . . . . 15738 1 12 no GB ACD48869 . "carbon storage regulator [Helicobacter pylori Shi470]" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 13 no GB ACJ08568 . "carbon storage regulator [Helicobacter pylori P12]" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 14 no GB ACX98483 . "carbon storage regulator [Helicobacter pylori 51]" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 15 no REF NP_208233 . "carbon storage regulator [Helicobacter pylori 26695]" . . . . . 88.24 76 100.00 100.00 1.02e-42 . . . . 15738 1 16 no REF WP_000906438 . "carbon storage regulator [Helicobacter pylori]" . . . . . 88.24 76 97.33 98.67 3.12e-41 . . . . 15738 1 17 no REF WP_000906439 . "carbon storage regulator homolog [Helicobacter pylori]" . . . . . 88.24 76 97.33 98.67 6.96e-42 . . . . 15738 1 18 no REF WP_000906441 . "carbon storage regulator [Helicobacter pylori]" . . . . . 88.24 76 98.67 98.67 3.62e-42 . . . . 15738 1 19 no REF WP_000906442 . "carbon storage regulator [Helicobacter pylori]" . . . . . 88.24 76 97.33 98.67 1.20e-41 . . . . 15738 1 20 no SP B2UVI7 . "RecName: Full=Carbon storage regulator homolog" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 21 no SP B6JNU0 . "RecName: Full=Carbon storage regulator homolog" . . . . . 88.24 76 97.33 97.33 7.04e-41 . . . . 15738 1 22 no SP O25983 . "RecName: Full=Carbon storage regulator homolog" . . . . . 88.24 76 100.00 100.00 1.02e-42 . . . . 15738 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15738 1 2 . ALA . 15738 1 3 . LEU . 15738 1 4 . ILE . 15738 1 5 . LEU . 15738 1 6 . SER . 15738 1 7 . ARG . 15738 1 8 . LYS . 15738 1 9 . VAL . 15738 1 10 . ASN . 15738 1 11 . GLU . 15738 1 12 . GLY . 15738 1 13 . ILE . 15738 1 14 . VAL . 15738 1 15 . ILE . 15738 1 16 . ASP . 15738 1 17 . ASP . 15738 1 18 . ASN . 15738 1 19 . ILE . 15738 1 20 . HIS . 15738 1 21 . ILE . 15738 1 22 . LYS . 15738 1 23 . VAL . 15738 1 24 . ILE . 15738 1 25 . SER . 15738 1 26 . ILE . 15738 1 27 . ASP . 15738 1 28 . ARG . 15738 1 29 . GLY . 15738 1 30 . SER . 15738 1 31 . VAL . 15738 1 32 . ARG . 15738 1 33 . LEU . 15738 1 34 . GLY . 15738 1 35 . PHE . 15738 1 36 . GLU . 15738 1 37 . ALA . 15738 1 38 . PRO . 15738 1 39 . GLU . 15738 1 40 . SER . 15738 1 41 . THR . 15738 1 42 . LEU . 15738 1 43 . ILE . 15738 1 44 . LEU . 15738 1 45 . ARG . 15738 1 46 . ALA . 15738 1 47 . GLU . 15738 1 48 . LEU . 15738 1 49 . LYS . 15738 1 50 . GLU . 15738 1 51 . ALA . 15738 1 52 . ILE . 15738 1 53 . VAL . 15738 1 54 . SER . 15738 1 55 . GLU . 15738 1 56 . ASN . 15738 1 57 . GLN . 15738 1 58 . LYS . 15738 1 59 . ALA . 15738 1 60 . SER . 15738 1 61 . VAL . 15738 1 62 . CYS . 15738 1 63 . VAL . 15738 1 64 . ASP . 15738 1 65 . GLU . 15738 1 66 . SER . 15738 1 67 . LEU . 15738 1 68 . LEU . 15738 1 69 . GLU . 15738 1 70 . ASN . 15738 1 71 . ILE . 15738 1 72 . LYS . 15738 1 73 . LYS . 15738 1 74 . VAL . 15738 1 75 . ILE . 15738 1 76 . LYS . 15738 1 77 . PRO . 15738 1 78 . LEU . 15738 1 79 . GLU . 15738 1 80 . HIS . 15738 1 81 . HIS . 15738 1 82 . HIS . 15738 1 83 . HIS . 15738 1 84 . HIS . 15738 1 85 . HIS . 15738 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15738 1 . ALA 2 2 15738 1 . LEU 3 3 15738 1 . ILE 4 4 15738 1 . LEU 5 5 15738 1 . SER 6 6 15738 1 . ARG 7 7 15738 1 . LYS 8 8 15738 1 . VAL 9 9 15738 1 . ASN 10 10 15738 1 . GLU 11 11 15738 1 . GLY 12 12 15738 1 . ILE 13 13 15738 1 . VAL 14 14 15738 1 . ILE 15 15 15738 1 . ASP 16 16 15738 1 . ASP 17 17 15738 1 . ASN 18 18 15738 1 . ILE 19 19 15738 1 . HIS 20 20 15738 1 . ILE 21 21 15738 1 . LYS 22 22 15738 1 . VAL 23 23 15738 1 . ILE 24 24 15738 1 . SER 25 25 15738 1 . ILE 26 26 15738 1 . ASP 27 27 15738 1 . ARG 28 28 15738 1 . GLY 29 29 15738 1 . SER 30 30 15738 1 . VAL 31 31 15738 1 . ARG 32 32 15738 1 . LEU 33 33 15738 1 . GLY 34 34 15738 1 . PHE 35 35 15738 1 . GLU 36 36 15738 1 . ALA 37 37 15738 1 . PRO 38 38 15738 1 . GLU 39 39 15738 1 . SER 40 40 15738 1 . THR 41 41 15738 1 . LEU 42 42 15738 1 . ILE 43 43 15738 1 . LEU 44 44 15738 1 . ARG 45 45 15738 1 . ALA 46 46 15738 1 . GLU 47 47 15738 1 . LEU 48 48 15738 1 . LYS 49 49 15738 1 . GLU 50 50 15738 1 . ALA 51 51 15738 1 . ILE 52 52 15738 1 . VAL 53 53 15738 1 . SER 54 54 15738 1 . GLU 55 55 15738 1 . ASN 56 56 15738 1 . GLN 57 57 15738 1 . LYS 58 58 15738 1 . ALA 59 59 15738 1 . SER 60 60 15738 1 . VAL 61 61 15738 1 . CYS 62 62 15738 1 . VAL 63 63 15738 1 . ASP 64 64 15738 1 . GLU 65 65 15738 1 . SER 66 66 15738 1 . LEU 67 67 15738 1 . LEU 68 68 15738 1 . GLU 69 69 15738 1 . ASN 70 70 15738 1 . ILE 71 71 15738 1 . LYS 72 72 15738 1 . LYS 73 73 15738 1 . VAL 74 74 15738 1 . ILE 75 75 15738 1 . LYS 76 76 15738 1 . PRO 77 77 15738 1 . LEU 78 78 15738 1 . GLU 79 79 15738 1 . HIS 80 80 15738 1 . HIS 81 81 15738 1 . HIS 82 82 15738 1 . HIS 83 83 15738 1 . HIS 84 84 15738 1 . HIS 85 85 15738 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 15738 _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 $HP1442 . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori 'H. pylori 26695' . . . . . . . . . . . . . . . HP1442 . . . . 15738 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 15738 _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 $HP1442 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 . . . . . . . . . . . . . . . pETBlue-2 . . . . . . 15738 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15738 _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 HP1442 '[U-13C; U-15N]' . . 1 $HP1442 . . 1 . . mM . . . . 15738 1 2 'potassium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 15738 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15738 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15738 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15738 1 6 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 15738 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 15738 _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 6.5 . pH 15738 1 pressure 1 . atm 15738 1 temperature 298 . K 15738 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15738 _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 . . 15738 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15738 1 'data analysis' 15738 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15738 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15738 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15738 2 processing 15738 2 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 15738 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15738 _NMR_spectrometer.ID 2 _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 15738 _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 . 600 . . . 15738 1 2 spectrometer_2 Bruker Avance . 800 . . . 15738 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 15738 _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 . . . . . . . . . . . . . . . . 15738 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15738 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15738 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 15738 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15738 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15738 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15738 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 15738 _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' . . . 15738 1 2 '3D HNCO' . . . 15738 1 4 '3D CBCA(CO)NH' . . . 15738 1 6 '3D HNCACB' . . . 15738 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15738 1 2 $xwinnmr . . 15738 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 3 3 LEU H H 1 8.432 . . 1 . . . . 3 L H . 15738 1 2 . 1 1 3 3 LEU HA H 1 4.656 . . 1 . . . . 3 L HA . 15738 1 3 . 1 1 3 3 LEU C C 13 172.421 . . 1 . . . . 3 L C . 15738 1 4 . 1 1 3 3 LEU CA C 13 52.523 . . 1 . . . . 3 L CA . 15738 1 5 . 1 1 3 3 LEU CB C 13 41.755 . . 1 . . . . 3 L CB . 15738 1 6 . 1 1 3 3 LEU N N 15 122.93 . . 1 . . . . 3 L N . 15738 1 7 . 1 1 4 4 ILE H H 1 8.668 . . 1 . . . . 4 I H . 15738 1 8 . 1 1 4 4 ILE HA H 1 5.227 . . 1 . . . . 4 I HA . 15738 1 9 . 1 1 4 4 ILE C C 13 173.085 . . 1 . . . . 4 I C . 15738 1 10 . 1 1 4 4 ILE CA C 13 57.952 . . 1 . . . . 4 I CA . 15738 1 11 . 1 1 4 4 ILE CB C 13 37.204 . . 1 . . . . 4 I CB . 15738 1 12 . 1 1 4 4 ILE N N 15 126.738 . . 1 . . . . 4 I N . 15738 1 13 . 1 1 5 5 LEU H H 1 9.118 . . 1 . . . . 5 L H . 15738 1 14 . 1 1 5 5 LEU HA H 1 4.844 . . 1 . . . . 5 L HA . 15738 1 15 . 1 1 5 5 LEU C C 13 172.532 . . 1 . . . . 5 L C . 15738 1 16 . 1 1 5 5 LEU CA C 13 51.21 . . 1 . . . . 5 L CA . 15738 1 17 . 1 1 5 5 LEU CB C 13 44.204 . . 1 . . . . 5 L CB . 15738 1 18 . 1 1 5 5 LEU N N 15 126.604 . . 1 . . . . 5 L N . 15738 1 19 . 1 1 6 6 SER H H 1 8.693 . . 1 . . . . 6 S H . 15738 1 20 . 1 1 6 6 SER HA H 1 5.566 . . 1 . . . . 6 S HA . 15738 1 21 . 1 1 6 6 SER C C 13 173.47 . . 1 . . . . 6 S C . 15738 1 22 . 1 1 6 6 SER CA C 13 54.296 . . 1 . . . . 6 S CA . 15738 1 23 . 1 1 6 6 SER CB C 13 61.965 . . 1 . . . . 6 S CB . 15738 1 24 . 1 1 6 6 SER N N 15 117.552 . . 1 . . . . 6 S N . 15738 1 25 . 1 1 7 7 ARG H H 1 9.381 . . 1 . . . . 7 R H . 15738 1 26 . 1 1 7 7 ARG HA H 1 4.979 . . 1 . . . . 7 R HA . 15738 1 27 . 1 1 7 7 ARG C C 13 170.873 . . 1 . . . . 7 R C . 15738 1 28 . 1 1 7 7 ARG CA C 13 52.949 . . 1 . . . . 7 R CA . 15738 1 29 . 1 1 7 7 ARG CB C 13 36.95 . . 1 . . . . 7 R CB . 15738 1 30 . 1 1 7 7 ARG N N 15 125.731 . . 1 . . . . 7 R N . 15738 1 31 . 1 1 8 8 LYS H H 1 9.198 . . 1 . . . . 8 K H . 15738 1 32 . 1 1 8 8 LYS C C 13 173.415 . . 1 . . . . 8 K C . 15738 1 33 . 1 1 8 8 LYS CA C 13 51.923 . . 1 . . . . 8 K CA . 15738 1 34 . 1 1 8 8 LYS CB C 13 32 . . 1 . . . . 8 K CB . 15738 1 35 . 1 1 8 8 LYS N N 15 122.039 . . 1 . . . . 8 K N . 15738 1 36 . 1 1 9 9 VAL H H 1 7.878 . . 1 . . . . 9 V H . 15738 1 37 . 1 1 9 9 VAL HA H 1 3.275 . . 1 . . . . 9 V HA . 15738 1 38 . 1 1 9 9 VAL C C 13 173.539 . . 1 . . . . 9 V C . 15738 1 39 . 1 1 9 9 VAL CA C 13 63.374 . . 1 . . . . 9 V CA . 15738 1 40 . 1 1 9 9 VAL CB C 13 28.672 . . 1 . . . . 9 V CB . 15738 1 41 . 1 1 9 9 VAL N N 15 117.544 . . 1 . . . . 9 V N . 15738 1 42 . 1 1 10 10 ASN H H 1 8.995 . . 1 . . . . 10 N H . 15738 1 43 . 1 1 10 10 ASN HA H 1 4.174 . . 1 . . . . 10 N HA . 15738 1 44 . 1 1 10 10 ASN C C 13 172.355 . . 1 . . . . 10 N C . 15738 1 45 . 1 1 10 10 ASN CA C 13 53.609 . . 1 . . . . 10 N CA . 15738 1 46 . 1 1 10 10 ASN CB C 13 34.995 . . 1 . . . . 10 N CB . 15738 1 47 . 1 1 10 10 ASN N N 15 117.549 . . 1 . . . . 10 N N . 15738 1 48 . 1 1 11 11 GLU H H 1 8.033 . . 1 . . . . 11 E H . 15738 1 49 . 1 1 11 11 GLU HA H 1 4.568 . . 1 . . . . 11 E HA . 15738 1 50 . 1 1 11 11 GLU C C 13 174.13 . . 1 . . . . 11 E C . 15738 1 51 . 1 1 11 11 GLU CA C 13 54.023 . . 1 . . . . 11 E CA . 15738 1 52 . 1 1 11 11 GLU CB C 13 28.94 . . 1 . . . . 11 E CB . 15738 1 53 . 1 1 11 11 GLU N N 15 118.707 . . 1 . . . . 11 E N . 15738 1 54 . 1 1 12 12 GLY H H 1 8.961 . . 1 . . . . 12 G H . 15738 1 55 . 1 1 12 12 GLY HA2 H 1 5.371 . . 2 . . . . 12 G HA . 15738 1 56 . 1 1 12 12 GLY HA3 H 1 5.371 . . 2 . . . . 12 G HA . 15738 1 57 . 1 1 12 12 GLY C C 13 172.334 . . 1 . . . . 12 G C . 15738 1 58 . 1 1 12 12 GLY CA C 13 42.819 . . 1 . . . . 12 G CA . 15738 1 59 . 1 1 12 12 GLY N N 15 104.74 . . 1 . . . . 12 G N . 15738 1 60 . 1 1 13 13 ILE H H 1 9.262 . . 1 . . . . 13 I H . 15738 1 61 . 1 1 13 13 ILE HA H 1 4.605 . . 1 . . . . 13 I HA . 15738 1 62 . 1 1 13 13 ILE C C 13 170.516 . . 1 . . . . 13 I C . 15738 1 63 . 1 1 13 13 ILE CA C 13 57.609 . . 1 . . . . 13 I CA . 15738 1 64 . 1 1 13 13 ILE CB C 13 40.965 . . 1 . . . . 13 I CB . 15738 1 65 . 1 1 13 13 ILE N N 15 122.665 . . 1 . . . . 13 I N . 15738 1 66 . 1 1 14 14 VAL H H 1 9.159 . . 1 . . . . 14 V H . 15738 1 67 . 1 1 14 14 VAL HA H 1 4.956 . . 1 . . . . 14 V HA . 15738 1 68 . 1 1 14 14 VAL C C 13 171.923 . . 1 . . . . 14 V C . 15738 1 69 . 1 1 14 14 VAL CA C 13 57.744 . . 1 . . . . 14 V CA . 15738 1 70 . 1 1 14 14 VAL CB C 13 31.318 . . 1 . . . . 14 V CB . 15738 1 71 . 1 1 14 14 VAL N N 15 126.31 . . 1 . . . . 14 V N . 15738 1 72 . 1 1 15 15 ILE H H 1 9.14 . . 1 . . . . 15 I H . 15738 1 73 . 1 1 15 15 ILE HA H 1 4.844 . . 1 . . . . 15 I HA . 15738 1 74 . 1 1 15 15 ILE C C 13 172.058 . . 1 . . . . 15 I C . 15738 1 75 . 1 1 15 15 ILE CA C 13 57.309 . . 1 . . . . 15 I CA . 15738 1 76 . 1 1 15 15 ILE CB C 13 37.086 . . 1 . . . . 15 I CB . 15738 1 77 . 1 1 15 15 ILE N N 15 127.593 . . 1 . . . . 15 I N . 15738 1 78 . 1 1 16 16 ASP H H 1 9.401 . . 1 . . . . 16 D H . 15738 1 79 . 1 1 16 16 ASP HA H 1 4.261 . . 1 . . . . 16 D HA . 15738 1 80 . 1 1 16 16 ASP C C 13 172.397 . . 1 . . . . 16 D C . 15738 1 81 . 1 1 16 16 ASP CA C 13 53.82 . . 1 . . . . 16 D CA . 15738 1 82 . 1 1 16 16 ASP CB C 13 37.026 . . 1 . . . . 16 D CB . 15738 1 83 . 1 1 16 16 ASP N N 15 126.023 . . 1 . . . . 16 D N . 15738 1 84 . 1 1 17 17 ASP H H 1 8.499 . . 1 . . . . 17 D H . 15738 1 85 . 1 1 17 17 ASP HA H 1 4.177 . . 1 . . . . 17 D HA . 15738 1 86 . 1 1 17 17 ASP C C 13 174.175 . . 1 . . . . 17 D C . 15738 1 87 . 1 1 17 17 ASP CA C 13 54.583 . . 1 . . . . 17 D CA . 15738 1 88 . 1 1 17 17 ASP CB C 13 39.23 . . 1 . . . . 17 D CB . 15738 1 89 . 1 1 17 17 ASP N N 15 112.908 . . 1 . . . . 17 D N . 15738 1 90 . 1 1 18 18 ASN H H 1 8.121 . . 1 . . . . 18 N H . 15738 1 91 . 1 1 18 18 ASN HA H 1 4.832 . . 1 . . . . 18 N HA . 15738 1 92 . 1 1 18 18 ASN C C 13 171.454 . . 1 . . . . 18 N C . 15738 1 93 . 1 1 18 18 ASN CA C 13 51.237 . . 1 . . . . 18 N CA . 15738 1 94 . 1 1 18 18 ASN CB C 13 38.202 . . 1 . . . . 18 N CB . 15738 1 95 . 1 1 18 18 ASN N N 15 115.485 . . 1 . . . . 18 N N . 15738 1 96 . 1 1 19 19 ILE H H 1 7.88 . . 1 . . . . 19 I H . 15738 1 97 . 1 1 19 19 ILE HA H 1 4.847 . . 1 . . . . 19 I HA . 15738 1 98 . 1 1 19 19 ILE C C 13 171.622 . . 1 . . . . 19 I C . 15738 1 99 . 1 1 19 19 ILE CA C 13 58.556 . . 1 . . . . 19 I CA . 15738 1 100 . 1 1 19 19 ILE CB C 13 36.848 . . 1 . . . . 19 I CB . 15738 1 101 . 1 1 19 19 ILE N N 15 120.161 . . 1 . . . . 19 I N . 15738 1 102 . 1 1 20 20 HIS H H 1 9.199 . . 1 . . . . 20 H H . 15738 1 103 . 1 1 20 20 HIS HA H 1 5.13 . . 1 . . . . 20 H HA . 15738 1 104 . 1 1 20 20 HIS C C 13 171.986 . . 1 . . . . 20 H C . 15738 1 105 . 1 1 20 20 HIS CA C 13 52.547 . . 1 . . . . 20 H CA . 15738 1 106 . 1 1 20 20 HIS CB C 13 29.673 . . 1 . . . . 20 H CB . 15738 1 107 . 1 1 20 20 HIS N N 15 126.542 . . 1 . . . . 20 H N . 15738 1 108 . 1 1 21 21 ILE H H 1 9.139 . . 1 . . . . 21 I H . 15738 1 109 . 1 1 21 21 ILE HA H 1 4.74 . . 1 . . . . 21 I HA . 15738 1 110 . 1 1 21 21 ILE C C 13 171.929 . . 1 . . . . 21 I C . 15738 1 111 . 1 1 21 21 ILE CA C 13 57.153 . . 1 . . . . 21 I CA . 15738 1 112 . 1 1 21 21 ILE CB C 13 38.114 . . 1 . . . . 21 I CB . 15738 1 113 . 1 1 21 21 ILE N N 15 124.095 . . 1 . . . . 21 I N . 15738 1 114 . 1 1 22 22 LYS H H 1 9.093 . . 1 . . . . 22 K H . 15738 1 115 . 1 1 22 22 LYS HA H 1 4.815 . . 1 . . . . 22 K HA . 15738 1 116 . 1 1 22 22 LYS C C 13 172.854 . . 1 . . . . 22 K C . 15738 1 117 . 1 1 22 22 LYS CA C 13 52.126 . . 1 . . . . 22 K CA . 15738 1 118 . 1 1 22 22 LYS CB C 13 34.128 . . 1 . . . . 22 K CB . 15738 1 119 . 1 1 22 22 LYS N N 15 127.436 . . 1 . . . . 22 K N . 15738 1 120 . 1 1 23 23 VAL H H 1 8.11 . . 1 . . . . 23 V H . 15738 1 121 . 1 1 23 23 VAL HA H 1 3.927 . . 1 . . . . 23 V HA . 15738 1 122 . 1 1 23 23 VAL C C 13 172.431 . . 1 . . . . 23 V C . 15738 1 123 . 1 1 23 23 VAL CA C 13 60.784 . . 1 . . . . 23 V CA . 15738 1 124 . 1 1 23 23 VAL CB C 13 27.396 . . 1 . . . . 23 V CB . 15738 1 125 . 1 1 23 23 VAL N N 15 124.165 . . 1 . . . . 23 V N . 15738 1 126 . 1 1 24 24 ILE H H 1 8.749 . . 1 . . . . 24 I H . 15738 1 127 . 1 1 24 24 ILE HA H 1 3.94 . . 1 . . . . 24 I HA . 15738 1 128 . 1 1 24 24 ILE C C 13 173.598 . . 1 . . . . 24 I C . 15738 1 129 . 1 1 24 24 ILE CA C 13 60.009 . . 1 . . . . 24 I CA . 15738 1 130 . 1 1 24 24 ILE CB C 13 35.282 . . 1 . . . . 24 I CB . 15738 1 131 . 1 1 24 24 ILE N N 15 130.67 . . 1 . . . . 24 I N . 15738 1 132 . 1 1 25 25 SER H H 1 7.496 . . 1 . . . . 25 S H . 15738 1 133 . 1 1 25 25 SER HA H 1 4.429 . . 1 . . . . 25 S HA . 15738 1 134 . 1 1 25 25 SER C C 13 169.12 . . 1 . . . . 25 S C . 15738 1 135 . 1 1 25 25 SER CA C 13 55.621 . . 1 . . . . 25 S CA . 15738 1 136 . 1 1 25 25 SER CB C 13 62.348 . . 1 . . . . 25 S CB . 15738 1 137 . 1 1 25 25 SER N N 15 108.958 . . 1 . . . . 25 S N . 15738 1 138 . 1 1 26 26 ILE H H 1 8.412 . . 1 . . . . 26 I H . 15738 1 139 . 1 1 26 26 ILE C C 13 171.678 . . 1 . . . . 26 I C . 15738 1 140 . 1 1 26 26 ILE CA C 13 59.78 . . 1 . . . . 26 I CA . 15738 1 141 . 1 1 26 26 ILE CB C 13 38.41 . . 1 . . . . 26 I CB . 15738 1 142 . 1 1 26 26 ILE N N 15 122.088 . . 1 . . . . 26 I N . 15738 1 143 . 1 1 27 27 ASP H H 1 8.57 . . 1 . . . . 27 D H . 15738 1 144 . 1 1 27 27 ASP HA H 1 4.848 . . 1 . . . . 27 D HA . 15738 1 145 . 1 1 27 27 ASP C C 13 172.397 . . 1 . . . . 27 D C . 15738 1 146 . 1 1 27 27 ASP CA C 13 50.914 . . 1 . . . . 27 D CA . 15738 1 147 . 1 1 27 27 ASP CB C 13 40.671 . . 1 . . . . 27 D CB . 15738 1 148 . 1 1 27 27 ASP N N 15 127.14 . . 1 . . . . 27 D N . 15738 1 149 . 1 1 28 28 ARG H H 1 8.612 . . 1 . . . . 28 R H . 15738 1 150 . 1 1 28 28 ARG HA H 1 3.937 . . 1 . . . . 28 R HA . 15738 1 151 . 1 1 28 28 ARG C C 13 174.195 . . 1 . . . . 28 R C . 15738 1 152 . 1 1 28 28 ARG CA C 13 55.603 . . 1 . . . . 28 R CA . 15738 1 153 . 1 1 28 28 ARG CB C 13 26.125 . . 1 . . . . 28 R CB . 15738 1 154 . 1 1 28 28 ARG N N 15 120.118 . . 1 . . . . 28 R N . 15738 1 155 . 1 1 29 29 GLY H H 1 8.481 . . 1 . . . . 29 G H . 15738 1 156 . 1 1 29 29 GLY C C 13 170.598 . . 1 . . . . 29 G C . 15738 1 157 . 1 1 29 29 GLY CA C 13 43.112 . . 1 . . . . 29 G CA . 15738 1 158 . 1 1 29 29 GLY N N 15 107.415 . . 1 . . . . 29 G N . 15738 1 159 . 1 1 30 30 SER H H 1 7.555 . . 1 . . . . 30 S H . 15738 1 160 . 1 1 30 30 SER HA H 1 4.972 . . 1 . . . . 30 S HA . 15738 1 161 . 1 1 30 30 SER C C 13 168.667 . . 1 . . . . 30 S C . 15738 1 162 . 1 1 30 30 SER CA C 13 55.076 . . 1 . . . . 30 S CA . 15738 1 163 . 1 1 30 30 SER CB C 13 63.347 . . 1 . . . . 30 S CB . 15738 1 164 . 1 1 30 30 SER N N 15 113.348 . . 1 . . . . 30 S N . 15738 1 165 . 1 1 31 31 VAL H H 1 9.1 . . 1 . . . . 31 V H . 15738 1 166 . 1 1 31 31 VAL HA H 1 4.965 . . 1 . . . . 31 V HA . 15738 1 167 . 1 1 31 31 VAL C C 13 170.074 . . 1 . . . . 31 V C . 15738 1 168 . 1 1 31 31 VAL CA C 13 55.698 . . 1 . . . . 31 V CA . 15738 1 169 . 1 1 31 31 VAL CB C 13 32.709 . . 1 . . . . 31 V CB . 15738 1 170 . 1 1 31 31 VAL N N 15 119.102 . . 1 . . . . 31 V N . 15738 1 171 . 1 1 32 32 ARG H H 1 8.451 . . 1 . . . . 32 R H . 15738 1 172 . 1 1 32 32 ARG HA H 1 4.979 . . 1 . . . . 32 R HA . 15738 1 173 . 1 1 32 32 ARG C C 13 172.241 . . 1 . . . . 32 R C . 15738 1 174 . 1 1 32 32 ARG CA C 13 53.174 . . 1 . . . . 32 R CA . 15738 1 175 . 1 1 32 32 ARG CB C 13 29.17 . . 1 . . . . 32 R CB . 15738 1 176 . 1 1 32 32 ARG N N 15 124.602 . . 1 . . . . 32 R N . 15738 1 177 . 1 1 33 33 LEU H H 1 8.855 . . 1 . . . . 33 L H . 15738 1 178 . 1 1 33 33 LEU HA H 1 4.979 . . 1 . . . . 33 L HA . 15738 1 179 . 1 1 33 33 LEU C C 13 171.563 . . 1 . . . . 33 L C . 15738 1 180 . 1 1 33 33 LEU CA C 13 50.184 . . 1 . . . . 33 L CA . 15738 1 181 . 1 1 33 33 LEU CB C 13 43.166 . . 1 . . . . 33 L CB . 15738 1 182 . 1 1 33 33 LEU N N 15 124.813 . . 1 . . . . 33 L N . 15738 1 183 . 1 1 34 34 GLY H H 1 9.31 . . 1 . . . . 34 G H . 15738 1 184 . 1 1 34 34 GLY HA2 H 1 5.162 . . 2 . . . . 34 G HA . 15738 1 185 . 1 1 34 34 GLY HA3 H 1 5.162 . . 2 . . . . 34 G HA . 15738 1 186 . 1 1 34 34 GLY C C 13 170.111 . . 1 . . . . 34 G C . 15738 1 187 . 1 1 34 34 GLY CA C 13 41.741 . . 1 . . . . 34 G CA . 15738 1 188 . 1 1 34 34 GLY N N 15 109.131 . . 1 . . . . 34 G N . 15738 1 189 . 1 1 35 35 PHE H H 1 9.325 . . 1 . . . . 35 F H . 15738 1 190 . 1 1 35 35 PHE HA H 1 5.26 . . 1 . . . . 35 F HA . 15738 1 191 . 1 1 35 35 PHE C C 13 173.082 . . 1 . . . . 35 F C . 15738 1 192 . 1 1 35 35 PHE CA C 13 54.643 . . 1 . . . . 35 F CA . 15738 1 193 . 1 1 35 35 PHE CB C 13 40.372 . . 1 . . . . 35 F CB . 15738 1 194 . 1 1 35 35 PHE N N 15 120.535 . . 1 . . . . 35 F N . 15738 1 195 . 1 1 36 36 GLU H H 1 9.069 . . 1 . . . . 36 E H . 15738 1 196 . 1 1 36 36 GLU HA H 1 4.695 . . 1 . . . . 36 E HA . 15738 1 197 . 1 1 36 36 GLU C C 13 171.101 . . 1 . . . . 36 E C . 15738 1 198 . 1 1 36 36 GLU CA C 13 53.338 . . 1 . . . . 36 E CA . 15738 1 199 . 1 1 36 36 GLU CB C 13 29.092 . . 1 . . . . 36 E CB . 15738 1 200 . 1 1 36 36 GLU N N 15 124.483 . . 1 . . . . 36 E N . 15738 1 201 . 1 1 37 37 ALA H H 1 8.287 . . 1 . . . . 37 A H . 15738 1 202 . 1 1 37 37 ALA HA H 1 5.242 . . 1 . . . . 37 A HA . 15738 1 203 . 1 1 37 37 ALA C C 13 171.007 . . 1 . . . . 37 A C . 15738 1 204 . 1 1 37 37 ALA CA C 13 47.638 . . 1 . . . . 37 A CA . 15738 1 205 . 1 1 37 37 ALA CB C 13 18.278 . . 1 . . . . 37 A CB . 15738 1 206 . 1 1 37 37 ALA N N 15 126.668 . . 1 . . . . 37 A N . 15738 1 207 . 1 1 38 38 PRO C C 13 175.153 . . 1 . . . . 38 P C . 15738 1 208 . 1 1 38 38 PRO CA C 13 60.538 . . 1 . . . . 38 P CA . 15738 1 209 . 1 1 38 38 PRO CB C 13 29.79 . . 1 . . . . 38 P CB . 15738 1 210 . 1 1 39 39 GLU H H 1 9.005 . . 1 . . . . 39 E H . 15738 1 211 . 1 1 39 39 GLU HA H 1 4.062 . . 1 . . . . 39 E HA . 15738 1 212 . 1 1 39 39 GLU C C 13 173.841 . . 1 . . . . 39 E C . 15738 1 213 . 1 1 39 39 GLU CA C 13 56.956 . . 1 . . . . 39 E CA . 15738 1 214 . 1 1 39 39 GLU CB C 13 26.863 . . 1 . . . . 39 E CB . 15738 1 215 . 1 1 39 39 GLU N N 15 122.857 . . 1 . . . . 39 E N . 15738 1 216 . 1 1 40 40 SER H H 1 7.701 . . 1 . . . . 40 S H . 15738 1 217 . 1 1 40 40 SER HA H 1 4.179 . . 1 . . . . 40 S HA . 15738 1 218 . 1 1 40 40 SER C C 13 172.063 . . 1 . . . . 40 S C . 15738 1 219 . 1 1 40 40 SER CA C 13 56.299 . . 1 . . . . 40 S CA . 15738 1 220 . 1 1 40 40 SER CB C 13 60.859 . . 1 . . . . 40 S CB . 15738 1 221 . 1 1 40 40 SER N N 15 109.073 . . 1 . . . . 40 S N . 15738 1 222 . 1 1 41 41 THR H H 1 7.641 . . 1 . . . . 41 T H . 15738 1 223 . 1 1 41 41 THR HA H 1 4.339 . . 1 . . . . 41 T HA . 15738 1 224 . 1 1 41 41 THR C C 13 170.911 . . 1 . . . . 41 T C . 15738 1 225 . 1 1 41 41 THR CA C 13 61.858 . . 1 . . . . 41 T CA . 15738 1 226 . 1 1 41 41 THR CB C 13 66.913 . . 1 . . . . 41 T CB . 15738 1 227 . 1 1 41 41 THR N N 15 121.933 . . 1 . . . . 41 T N . 15738 1 228 . 1 1 42 42 LEU H H 1 9.031 . . 1 . . . . 42 L H . 15738 1 229 . 1 1 42 42 LEU HA H 1 4.389 . . 1 . . . . 42 L HA . 15738 1 230 . 1 1 42 42 LEU C C 13 172.117 . . 1 . . . . 42 L C . 15738 1 231 . 1 1 42 42 LEU CA C 13 51.751 . . 1 . . . . 42 L CA . 15738 1 232 . 1 1 42 42 LEU CB C 13 40.651 . . 1 . . . . 42 L CB . 15738 1 233 . 1 1 42 42 LEU N N 15 131.756 . . 1 . . . . 42 L N . 15738 1 234 . 1 1 43 43 ILE H H 1 8.122 . . 1 . . . . 43 I H . 15738 1 235 . 1 1 43 43 ILE HA H 1 4.232 . . 1 . . . . 43 I HA . 15738 1 236 . 1 1 43 43 ILE C C 13 171.579 . . 1 . . . . 43 I C . 15738 1 237 . 1 1 43 43 ILE CA C 13 58.891 . . 1 . . . . 43 I CA . 15738 1 238 . 1 1 43 43 ILE CB C 13 35.941 . . 1 . . . . 43 I CB . 15738 1 239 . 1 1 43 43 ILE N N 15 126.335 . . 1 . . . . 43 I N . 15738 1 240 . 1 1 44 44 LEU H H 1 8.526 . . 1 . . . . 44 L H . 15738 1 241 . 1 1 44 44 LEU HA H 1 4.71 . . 1 . . . . 44 L HA . 15738 1 242 . 1 1 44 44 LEU CA C 13 50.312 . . 1 . . . . 44 L CA . 15738 1 243 . 1 1 44 44 LEU CB C 13 44.257 . . 1 . . . . 44 L CB . 15738 1 244 . 1 1 44 44 LEU N N 15 125.56 . . 1 . . . . 44 L N . 15738 1 245 . 1 1 45 45 ARG H H 1 8.375 . . 1 . . . . 45 R H . 15738 1 246 . 1 1 45 45 ARG C C 13 174.834 . . 1 . . . . 45 R C . 15738 1 247 . 1 1 45 45 ARG CA C 13 55.322 . . 1 . . . . 45 R CA . 15738 1 248 . 1 1 45 45 ARG CB C 13 27.395 . . 1 . . . . 45 R CB . 15738 1 249 . 1 1 45 45 ARG N N 15 121.778 . . 1 . . . . 45 R N . 15738 1 250 . 1 1 46 46 ALA H H 1 7.938 . . 1 . . . . 46 A H . 15738 1 251 . 1 1 46 46 ALA C C 13 176.009 . . 1 . . . . 46 A C . 15738 1 252 . 1 1 46 46 ALA CA C 13 53.026 . . 1 . . . . 46 A CA . 15738 1 253 . 1 1 46 46 ALA CB C 13 15.879 . . 1 . . . . 46 A CB . 15738 1 254 . 1 1 46 46 ALA N N 15 125.704 . . 1 . . . . 46 A N . 15738 1 255 . 1 1 47 47 GLU H H 1 10.366 . . 1 . . . . 47 E H . 15738 1 256 . 1 1 47 47 GLU HA H 1 4.349 . . 1 . . . . 47 E HA . 15738 1 257 . 1 1 47 47 GLU C C 13 174.255 . . 1 . . . . 47 E C . 15738 1 258 . 1 1 47 47 GLU CA C 13 55.239 . . 1 . . . . 47 E CA . 15738 1 259 . 1 1 47 47 GLU CB C 13 24.396 . . 1 . . . . 47 E CB . 15738 1 260 . 1 1 47 47 GLU N N 15 117.209 . . 1 . . . . 47 E N . 15738 1 261 . 1 1 48 48 LEU H H 1 7.56 . . 1 . . . . 48 L H . 15738 1 262 . 1 1 48 48 LEU HA H 1 4.354 . . 1 . . . . 48 L HA . 15738 1 263 . 1 1 48 48 LEU C C 13 174.824 . . 1 . . . . 48 L C . 15738 1 264 . 1 1 48 48 LEU CA C 13 52.989 . . 1 . . . . 48 L CA . 15738 1 265 . 1 1 48 48 LEU CB C 13 39.174 . . 1 . . . . 48 L CB . 15738 1 266 . 1 1 48 48 LEU N N 15 121.582 . . 1 . . . . 48 L N . 15738 1 267 . 1 1 49 49 LYS H H 1 7.561 . . 1 . . . . 49 K H . 15738 1 268 . 1 1 49 49 LYS HA H 1 4.13 . . 1 . . . . 49 K HA . 15738 1 269 . 1 1 49 49 LYS C C 13 173.798 . . 1 . . . . 49 K C . 15738 1 270 . 1 1 49 49 LYS CA C 13 54.46 . . 1 . . . . 49 K CA . 15738 1 271 . 1 1 49 49 LYS CB C 13 30.09 . . 1 . . . . 49 K CB . 15738 1 272 . 1 1 49 49 LYS N N 15 120.034 . . 1 . . . . 49 K N . 15738 1 273 . 1 1 50 50 GLU H H 1 8.076 . . 1 . . . . 50 E H . 15738 1 274 . 1 1 50 50 GLU HA H 1 4.137 . . 1 . . . . 50 E HA . 15738 1 275 . 1 1 50 50 GLU C C 13 173.559 . . 1 . . . . 50 E C . 15738 1 276 . 1 1 50 50 GLU CA C 13 54.475 . . 1 . . . . 50 E CA . 15738 1 277 . 1 1 50 50 GLU CB C 13 27.556 . . 1 . . . . 50 E CB . 15738 1 278 . 1 1 50 50 GLU N N 15 120.144 . . 1 . . . . 50 E N . 15738 1 279 . 1 1 51 51 ALA H H 1 7.967 . . 1 . . . . 51 A H . 15738 1 280 . 1 1 51 51 ALA HA H 1 4.229 . . 1 . . . . 51 A HA . 15738 1 281 . 1 1 51 51 ALA C C 13 175.049 . . 1 . . . . 51 A C . 15738 1 282 . 1 1 51 51 ALA CA C 13 50.315 . . 1 . . . . 51 A CA . 15738 1 283 . 1 1 51 51 ALA CB C 13 16.545 . . 1 . . . . 51 A CB . 15738 1 284 . 1 1 51 51 ALA N N 15 123.907 . . 1 . . . . 51 A N . 15738 1 285 . 1 1 52 52 ILE H H 1 7.967 . . 1 . . . . 52 I H . 15738 1 286 . 1 1 52 52 ILE HA H 1 4.037 . . 1 . . . . 52 I HA . 15738 1 287 . 1 1 52 52 ILE C C 13 173.887 . . 1 . . . . 52 I C . 15738 1 288 . 1 1 52 52 ILE CA C 13 59.232 . . 1 . . . . 52 I CA . 15738 1 289 . 1 1 52 52 ILE CB C 13 35.985 . . 1 . . . . 52 I CB . 15738 1 290 . 1 1 52 52 ILE N N 15 120.063 . . 1 . . . . 52 I N . 15738 1 291 . 1 1 53 53 VAL H H 1 8.143 . . 1 . . . . 53 V H . 15738 1 292 . 1 1 53 53 VAL HA H 1 4.046 . . 1 . . . . 53 V HA . 15738 1 293 . 1 1 53 53 VAL C C 13 173.665 . . 1 . . . . 53 V C . 15738 1 294 . 1 1 53 53 VAL CA C 13 60.341 . . 1 . . . . 53 V CA . 15738 1 295 . 1 1 53 53 VAL CB C 13 30.011 . . 1 . . . . 53 V CB . 15738 1 296 . 1 1 53 53 VAL N N 15 123.876 . . 1 . . . . 53 V N . 15738 1 297 . 1 1 54 54 SER H H 1 8.261 . . 1 . . . . 54 S H . 15738 1 298 . 1 1 54 54 SER HA H 1 4.357 . . 1 . . . . 54 S HA . 15738 1 299 . 1 1 54 54 SER C C 13 172.22 . . 1 . . . . 54 S C . 15738 1 300 . 1 1 54 54 SER CA C 13 56.23 . . 1 . . . . 54 S CA . 15738 1 301 . 1 1 54 54 SER CB C 13 61.628 . . 1 . . . . 54 S CB . 15738 1 302 . 1 1 54 54 SER N N 15 118.97 . . 1 . . . . 54 S N . 15738 1 303 . 1 1 55 55 GLU H H 1 8.425 . . 1 . . . . 55 E H . 15738 1 304 . 1 1 55 55 GLU HA H 1 4.183 . . 1 . . . . 55 E HA . 15738 1 305 . 1 1 55 55 GLU C C 13 173.96 . . 1 . . . . 55 E C . 15738 1 306 . 1 1 55 55 GLU CA C 13 54.89 . . 1 . . . . 55 E CA . 15738 1 307 . 1 1 55 55 GLU CB C 13 27.447 . . 1 . . . . 55 E CB . 15738 1 308 . 1 1 55 55 GLU N N 15 122.537 . . 1 . . . . 55 E N . 15738 1 309 . 1 1 56 56 ASN H H 1 8.317 . . 1 . . . . 56 N H . 15738 1 310 . 1 1 56 56 ASN HA H 1 4.578 . . 1 . . . . 56 N HA . 15738 1 311 . 1 1 56 56 ASN C C 13 172.767 . . 1 . . . . 56 N C . 15738 1 312 . 1 1 56 56 ASN CA C 13 51.267 . . 1 . . . . 56 N CA . 15738 1 313 . 1 1 56 56 ASN CB C 13 36.145 . . 1 . . . . 56 N CB . 15738 1 314 . 1 1 56 56 ASN N N 15 118.391 . . 1 . . . . 56 N N . 15738 1 315 . 1 1 57 57 GLN H H 1 8.163 . . 1 . . . . 57 Q H . 15738 1 316 . 1 1 57 57 GLN HA H 1 4.197 . . 1 . . . . 57 Q HA . 15738 1 317 . 1 1 57 57 GLN C C 13 173.44 . . 1 . . . . 57 Q C . 15738 1 318 . 1 1 57 57 GLN CA C 13 53.892 . . 1 . . . . 57 Q CA . 15738 1 319 . 1 1 57 57 GLN CB C 13 26.63 . . 1 . . . . 57 Q CB . 15738 1 320 . 1 1 57 57 GLN N N 15 120.128 . . 1 . . . . 57 Q N . 15738 1 321 . 1 1 58 58 LYS H H 1 8.128 . . 1 . . . . 58 K H . 15738 1 322 . 1 1 58 58 LYS HA H 1 4.205 . . 1 . . . . 58 K HA . 15738 1 323 . 1 1 58 58 LYS C C 13 173.703 . . 1 . . . . 58 K C . 15738 1 324 . 1 1 58 58 LYS CA C 13 54.096 . . 1 . . . . 58 K CA . 15738 1 325 . 1 1 58 58 LYS CB C 13 30.291 . . 1 . . . . 58 K CB . 15738 1 326 . 1 1 58 58 LYS N N 15 121.704 . . 1 . . . . 58 K N . 15738 1 327 . 1 1 59 59 ALA H H 1 8.166 . . 1 . . . . 59 A H . 15738 1 328 . 1 1 59 59 ALA HA H 1 4.241 . . 1 . . . . 59 A HA . 15738 1 329 . 1 1 59 59 ALA C C 13 175.076 . . 1 . . . . 59 A C . 15738 1 330 . 1 1 59 59 ALA CA C 13 50.164 . . 1 . . . . 59 A CA . 15738 1 331 . 1 1 59 59 ALA CB C 13 16.672 . . 1 . . . . 59 A CB . 15738 1 332 . 1 1 59 59 ALA N N 15 124.392 . . 1 . . . . 59 A N . 15738 1 333 . 1 1 60 60 SER H H 1 8.175 . . 1 . . . . 60 S H . 15738 1 334 . 1 1 60 60 SER HA H 1 4.368 . . 1 . . . . 60 S HA . 15738 1 335 . 1 1 60 60 SER C C 13 171.718 . . 1 . . . . 60 S C . 15738 1 336 . 1 1 60 60 SER CA C 13 55.991 . . 1 . . . . 60 S CA . 15738 1 337 . 1 1 60 60 SER CB C 13 61.597 . . 1 . . . . 60 S CB . 15738 1 338 . 1 1 60 60 SER N N 15 114.953 . . 1 . . . . 60 S N . 15738 1 339 . 1 1 61 61 VAL H H 1 8 . . 1 . . . . 61 V H . 15738 1 340 . 1 1 61 61 VAL HA H 1 4.114 . . 1 . . . . 61 V HA . 15738 1 341 . 1 1 61 61 VAL C C 13 173.083 . . 1 . . . . 61 V C . 15738 1 342 . 1 1 61 61 VAL CA C 13 59.838 . . 1 . . . . 61 V CA . 15738 1 343 . 1 1 61 61 VAL CB C 13 30.156 . . 1 . . . . 61 V CB . 15738 1 344 . 1 1 61 61 VAL N N 15 120.895 . . 1 . . . . 61 V N . 15738 1 345 . 1 1 62 62 CYS H H 1 8.38 . . 1 . . . . 62 C H . 15738 1 346 . 1 1 62 62 CYS HA H 1 4.484 . . 1 . . . . 62 C HA . 15738 1 347 . 1 1 62 62 CYS C C 13 171.856 . . 1 . . . . 62 C C . 15738 1 348 . 1 1 62 62 CYS CA C 13 56.105 . . 1 . . . . 62 C CA . 15738 1 349 . 1 1 62 62 CYS CB C 13 25.429 . . 1 . . . . 62 C CB . 15738 1 350 . 1 1 62 62 CYS N N 15 123.31 . . 1 . . . . 62 C N . 15738 1 351 . 1 1 63 63 VAL H H 1 8.256 . . 1 . . . . 63 V H . 15738 1 352 . 1 1 63 63 VAL HA H 1 4.069 . . 1 . . . . 63 V HA . 15738 1 353 . 1 1 63 63 VAL C C 13 172.794 . . 1 . . . . 63 V C . 15738 1 354 . 1 1 63 63 VAL CA C 13 60.011 . . 1 . . . . 63 V CA . 15738 1 355 . 1 1 63 63 VAL CB C 13 30.232 . . 1 . . . . 63 V CB . 15738 1 356 . 1 1 63 63 VAL N N 15 122.809 . . 1 . . . . 63 V N . 15738 1 357 . 1 1 64 64 ASP H H 1 8.214 . . 1 . . . . 64 D H . 15738 1 358 . 1 1 64 64 ASP HA H 1 4.54 . . 1 . . . . 64 D HA . 15738 1 359 . 1 1 64 64 ASP C C 13 173.938 . . 1 . . . . 64 D C . 15738 1 360 . 1 1 64 64 ASP CA C 13 51.79 . . 1 . . . . 64 D CA . 15738 1 361 . 1 1 64 64 ASP CB C 13 38.727 . . 1 . . . . 64 D CB . 15738 1 362 . 1 1 64 64 ASP N N 15 123.637 . . 1 . . . . 64 D N . 15738 1 363 . 1 1 65 65 GLU H H 1 8.561 . . 1 . . . . 65 E H . 15738 1 364 . 1 1 65 65 GLU HA H 1 4.096 . . 1 . . . . 65 E HA . 15738 1 365 . 1 1 65 65 GLU C C 13 174.525 . . 1 . . . . 65 E C . 15738 1 366 . 1 1 65 65 GLU CA C 13 55.358 . . 1 . . . . 65 E CA . 15738 1 367 . 1 1 65 65 GLU CB C 13 27.239 . . 1 . . . . 65 E CB . 15738 1 368 . 1 1 65 65 GLU N N 15 123.135 . . 1 . . . . 65 E N . 15738 1 369 . 1 1 66 66 SER H H 1 8.399 . . 1 . . . . 66 S H . 15738 1 370 . 1 1 66 66 SER HA H 1 4.267 . . 1 . . . . 66 S HA . 15738 1 371 . 1 1 66 66 SER C C 13 172.499 . . 1 . . . . 66 S C . 15738 1 372 . 1 1 66 66 SER CA C 13 57.475 . . 1 . . . . 66 S CA . 15738 1 373 . 1 1 66 66 SER CB C 13 61.16 . . 1 . . . . 66 S CB . 15738 1 374 . 1 1 66 66 SER N N 15 116.026 . . 1 . . . . 66 S N . 15738 1 375 . 1 1 67 67 LEU H H 1 7.8 . . 1 . . . . 67 L H . 15738 1 376 . 1 1 67 67 LEU HA H 1 4.261 . . 1 . . . . 67 L HA . 15738 1 377 . 1 1 67 67 LEU C C 13 175.122 . . 1 . . . . 67 L C . 15738 1 378 . 1 1 67 67 LEU CA C 13 53.263 . . 1 . . . . 67 L CA . 15738 1 379 . 1 1 67 67 LEU CB C 13 39.462 . . 1 . . . . 67 L CB . 15738 1 380 . 1 1 67 67 LEU N N 15 122.554 . . 1 . . . . 67 L N . 15738 1 381 . 1 1 68 68 LEU H H 1 7.794 . . 1 . . . . 68 L H . 15738 1 382 . 1 1 68 68 LEU HA H 1 4.186 . . 1 . . . . 68 L HA . 15738 1 383 . 1 1 68 68 LEU C C 13 175.115 . . 1 . . . . 68 L C . 15738 1 384 . 1 1 68 68 LEU CA C 13 53.398 . . 1 . . . . 68 L CA . 15738 1 385 . 1 1 68 68 LEU CB C 13 39.504 . . 1 . . . . 68 L CB . 15738 1 386 . 1 1 68 68 LEU N N 15 120.605 . . 1 . . . . 68 L N . 15738 1 387 . 1 1 69 69 GLU H H 1 8.111 . . 1 . . . . 69 E H . 15738 1 388 . 1 1 69 69 GLU HA H 1 4.111 . . 1 . . . . 69 E HA . 15738 1 389 . 1 1 69 69 GLU C C 13 173.955 . . 1 . . . . 69 E C . 15738 1 390 . 1 1 69 69 GLU CA C 13 54.849 . . 1 . . . . 69 E CA . 15738 1 391 . 1 1 69 69 GLU CB C 13 27.493 . . 1 . . . . 69 E CB . 15738 1 392 . 1 1 69 69 GLU N N 15 119.474 . . 1 . . . . 69 E N . 15738 1 393 . 1 1 70 70 ASN H H 1 8.202 . . 1 . . . . 70 N H . 15738 1 394 . 1 1 70 70 ASN HA H 1 4.567 . . 1 . . . . 70 N HA . 15738 1 395 . 1 1 70 70 ASN C C 13 172.885 . . 1 . . . . 70 N C . 15738 1 396 . 1 1 70 70 ASN CA C 13 51.421 . . 1 . . . . 70 N CA . 15738 1 397 . 1 1 70 70 ASN CB C 13 36.177 . . 1 . . . . 70 N CB . 15738 1 398 . 1 1 70 70 ASN N N 15 118.21 . . 1 . . . . 70 N N . 15738 1 399 . 1 1 71 71 ILE H H 1 7.836 . . 1 . . . . 71 I H . 15738 1 400 . 1 1 71 71 ILE HA H 1 4.037 . . 1 . . . . 71 I HA . 15738 1 401 . 1 1 71 71 ILE C C 13 173.654 . . 1 . . . . 71 I C . 15738 1 402 . 1 1 71 71 ILE CA C 13 59.486 . . 1 . . . . 71 I CA . 15738 1 403 . 1 1 71 71 ILE CB C 13 36.01 . . 1 . . . . 71 I CB . 15738 1 404 . 1 1 71 71 ILE N N 15 119.96 . . 1 . . . . 71 I N . 15738 1 405 . 1 1 72 72 LYS H H 1 8.1 . . 1 . . . . 72 K H . 15738 1 406 . 1 1 72 72 LYS HA H 1 4.193 . . 1 . . . . 72 K HA . 15738 1 407 . 1 1 72 72 LYS C C 13 173.61 . . 1 . . . . 72 K C . 15738 1 408 . 1 1 72 72 LYS CA C 13 54.157 . . 1 . . . . 72 K CA . 15738 1 409 . 1 1 72 72 LYS CB C 13 30.129 . . 1 . . . . 72 K CB . 15738 1 410 . 1 1 72 72 LYS N N 15 123.399 . . 1 . . . . 72 K N . 15738 1 411 . 1 1 73 73 LYS H H 1 8.025 . . 1 . . . . 73 K H . 15738 1 412 . 1 1 73 73 LYS HA H 1 4.229 . . 1 . . . . 73 K HA . 15738 1 413 . 1 1 73 73 LYS C C 13 173.552 . . 1 . . . . 73 K C . 15738 1 414 . 1 1 73 73 LYS CA C 13 53.994 . . 1 . . . . 73 K CA . 15738 1 415 . 1 1 73 73 LYS CB C 13 30.349 . . 1 . . . . 73 K CB . 15738 1 416 . 1 1 73 73 LYS N N 15 121.738 . . 1 . . . . 73 K N . 15738 1 417 . 1 1 74 74 VAL H H 1 8.042 . . 1 . . . . 74 V H . 15738 1 418 . 1 1 74 74 VAL HA H 1 4.016 . . 1 . . . . 74 V HA . 15738 1 419 . 1 1 74 74 VAL C C 13 173.142 . . 1 . . . . 74 V C . 15738 1 420 . 1 1 74 74 VAL CA C 13 60.047 . . 1 . . . . 74 V CA . 15738 1 421 . 1 1 74 74 VAL CB C 13 30.133 . . 1 . . . . 74 V CB . 15738 1 422 . 1 1 74 74 VAL N N 15 121.668 . . 1 . . . . 74 V N . 15738 1 423 . 1 1 75 75 ILE H H 1 8.2 . . 1 . . . . 75 I H . 15738 1 424 . 1 1 75 75 ILE HA H 1 4.083 . . 1 . . . . 75 I HA . 15738 1 425 . 1 1 75 75 ILE C C 13 173.087 . . 1 . . . . 75 I C . 15738 1 426 . 1 1 75 75 ILE CA C 13 58.429 . . 1 . . . . 75 I CA . 15738 1 427 . 1 1 75 75 ILE CB C 13 35.868 . . 1 . . . . 75 I CB . 15738 1 428 . 1 1 75 75 ILE N N 15 125.542 . . 1 . . . . 75 I N . 15738 1 429 . 1 1 76 76 LYS H H 1 8.308 . . 1 . . . . 76 K H . 15738 1 430 . 1 1 76 76 LYS HA H 1 4.539 . . 1 . . . . 76 K HA . 15738 1 431 . 1 1 76 76 LYS C C 13 171.47 . . 1 . . . . 76 K C . 15738 1 432 . 1 1 76 76 LYS CA C 13 51.722 . . 1 . . . . 76 K CA . 15738 1 433 . 1 1 76 76 LYS CB C 13 29.904 . . 1 . . . . 76 K CB . 15738 1 434 . 1 1 76 76 LYS N N 15 127.049 . . 1 . . . . 76 K N . 15738 1 435 . 1 1 77 77 PRO C C 13 174.087 . . 1 . . . . 77 P C . 15738 1 436 . 1 1 77 77 PRO CA C 13 60.782 . . 1 . . . . 77 P CA . 15738 1 437 . 1 1 77 77 PRO CB C 13 29.412 . . 1 . . . . 77 P CB . 15738 1 438 . 1 1 78 78 LEU H H 1 8.247 . . 1 . . . . 78 L H . 15738 1 439 . 1 1 78 78 LEU HA H 1 4.158 . . 1 . . . . 78 L HA . 15738 1 440 . 1 1 78 78 LEU C C 13 174.683 . . 1 . . . . 78 L C . 15738 1 441 . 1 1 78 78 LEU CA C 13 52.893 . . 1 . . . . 78 L CA . 15738 1 442 . 1 1 78 78 LEU CB C 13 39.703 . . 1 . . . . 78 L CB . 15738 1 443 . 1 1 78 78 LEU N N 15 121.787 . . 1 . . . . 78 L N . 15738 1 444 . 1 1 79 79 GLU H H 1 8.229 . . 1 . . . . 79 E H . 15738 1 445 . 1 1 79 79 GLU HA H 1 4.141 . . 1 . . . . 79 E HA . 15738 1 446 . 1 1 79 79 GLU C C 13 173.281 . . 1 . . . . 79 E C . 15738 1 447 . 1 1 79 79 GLU CA C 13 53.986 . . 1 . . . . 79 E CA . 15738 1 448 . 1 1 79 79 GLU CB C 13 27.791 . . 1 . . . . 79 E CB . 15738 1 449 . 1 1 79 79 GLU N N 15 121.211 . . 1 . . . . 79 E N . 15738 1 stop_ save_