data_17313 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17313 _Entry.Title ; drosophila CstF-50 (1-92) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-22 _Entry.Accession_date 2010-11-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone chemical shifts for the N-terminal 92 residues of the drosophila CstF-50 protein' _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 Cameron Mackereth . D. . 17313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 17313 '15N chemical shifts' 82 17313 '1H chemical shifts' 82 17313 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 2 . . 2011-02-16 2010-11-22 update BMRB 'update entry citation' 17313 1 . . 2011-01-18 2010-11-22 original author 'original release' 17313 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17313 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21233223 _Citation.Full_citation . _Citation.Title 'Hexameric architecture of CstF supported by CstF-50 homodimerization domain structure.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 412 _Citation.Page_last 418 _Citation.Year 2011 _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 Maria Moreno-Morcillo . . . 17313 1 2 Lionel Minvielle-Sebastia . . . 17313 1 3 Cameron Mackereth . . . 17313 1 4 Sebastien Fribourg . . . 17313 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID crystallography 17313 1 CstF 17313 1 CstF-50 17313 1 homodimerization 17313 1 "mRNA 3' end maturation" 17313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17313 _Assembly.ID 1 _Assembly.Name dCstF-50(1-92) _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 dCstF-50 1 $dCstF-50 A . yes native no no . . . 17313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dCstF-50 _Entity.Sf_category entity _Entity.Sf_framecode dCstF-50 _Entity.Entry_ID 17313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dCstF-50 _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 ; MRDEILDPSNLVKNREILYR LMISQLMYDGLEKFAMELSM LVKADQCAPSERLLHVMIAG MQTLSDKDKTNSDDVLPGID LEFEPEASALAPGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; C-terminal -GS arises from the cloning site in the vector Protein is expressed with an N-terminal His6-tag which is removed by TEV protease, leaving a GH- at the N-terminus ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment dCstF-50(1-92) _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 2015-11-25 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 BMRB 17308 . dCstF-50 . . . . . 69.15 68 100.00 100.00 1.40e-37 . . . . 17313 1 2 no PDB 2XZ2 . "Crystal Structure Of Cstf-50 Homodimerization Domain" . . . . . 69.15 66 100.00 100.00 1.43e-37 . . . . 17313 1 3 no GB AAF57183 . "CstF-50 [Drosophila melanogaster]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 4 no GB AAM11155 . "LD24780p [Drosophila melanogaster]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 5 no GB ACL84511 . "CstF-50-PA, partial [synthetic construct]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 6 no GB ACL89448 . "CstF-50-PA [synthetic construct]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 7 no GB EDV52931 . "uncharacterized protein Dere_GG11859 [Drosophila erecta]" . . . . . 97.87 424 98.91 98.91 4.12e-55 . . . . 17313 1 8 no REF NP_651883 . "CstF-50 [Drosophila melanogaster]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 9 no REF XP_001981061 . "GG11859 [Drosophila erecta]" . . . . . 97.87 424 98.91 98.91 4.12e-55 . . . . 17313 1 10 no REF XP_002043730 . "GM16423 [Drosophila sechellia]" . . . . . 97.87 424 98.91 98.91 3.91e-55 . . . . 17313 1 11 no REF XP_002105645 . "GD16348 [Drosophila simulans]" . . . . . 97.87 424 100.00 100.00 1.50e-56 . . . . 17313 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "pre-mRNA 3' end processing" 17313 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 . 17313 1 2 . ARG . 17313 1 3 . ASP . 17313 1 4 . GLU . 17313 1 5 . ILE . 17313 1 6 . LEU . 17313 1 7 . ASP . 17313 1 8 . PRO . 17313 1 9 . SER . 17313 1 10 . ASN . 17313 1 11 . LEU . 17313 1 12 . VAL . 17313 1 13 . LYS . 17313 1 14 . ASN . 17313 1 15 . ARG . 17313 1 16 . GLU . 17313 1 17 . ILE . 17313 1 18 . LEU . 17313 1 19 . TYR . 17313 1 20 . ARG . 17313 1 21 . LEU . 17313 1 22 . MET . 17313 1 23 . ILE . 17313 1 24 . SER . 17313 1 25 . GLN . 17313 1 26 . LEU . 17313 1 27 . MET . 17313 1 28 . TYR . 17313 1 29 . ASP . 17313 1 30 . GLY . 17313 1 31 . LEU . 17313 1 32 . GLU . 17313 1 33 . LYS . 17313 1 34 . PHE . 17313 1 35 . ALA . 17313 1 36 . MET . 17313 1 37 . GLU . 17313 1 38 . LEU . 17313 1 39 . SER . 17313 1 40 . MET . 17313 1 41 . LEU . 17313 1 42 . VAL . 17313 1 43 . LYS . 17313 1 44 . ALA . 17313 1 45 . ASP . 17313 1 46 . GLN . 17313 1 47 . CYS . 17313 1 48 . ALA . 17313 1 49 . PRO . 17313 1 50 . SER . 17313 1 51 . GLU . 17313 1 52 . ARG . 17313 1 53 . LEU . 17313 1 54 . LEU . 17313 1 55 . HIS . 17313 1 56 . VAL . 17313 1 57 . MET . 17313 1 58 . ILE . 17313 1 59 . ALA . 17313 1 60 . GLY . 17313 1 61 . MET . 17313 1 62 . GLN . 17313 1 63 . THR . 17313 1 64 . LEU . 17313 1 65 . SER . 17313 1 66 . ASP . 17313 1 67 . LYS . 17313 1 68 . ASP . 17313 1 69 . LYS . 17313 1 70 . THR . 17313 1 71 . ASN . 17313 1 72 . SER . 17313 1 73 . ASP . 17313 1 74 . ASP . 17313 1 75 . VAL . 17313 1 76 . LEU . 17313 1 77 . PRO . 17313 1 78 . GLY . 17313 1 79 . ILE . 17313 1 80 . ASP . 17313 1 81 . LEU . 17313 1 82 . GLU . 17313 1 83 . PHE . 17313 1 84 . GLU . 17313 1 85 . PRO . 17313 1 86 . GLU . 17313 1 87 . ALA . 17313 1 88 . SER . 17313 1 89 . ALA . 17313 1 90 . LEU . 17313 1 91 . ALA . 17313 1 92 . PRO . 17313 1 93 . GLY . 17313 1 94 . SER . 17313 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 17313 1 . ARG 2 2 17313 1 . ASP 3 3 17313 1 . GLU 4 4 17313 1 . ILE 5 5 17313 1 . LEU 6 6 17313 1 . ASP 7 7 17313 1 . PRO 8 8 17313 1 . SER 9 9 17313 1 . ASN 10 10 17313 1 . LEU 11 11 17313 1 . VAL 12 12 17313 1 . LYS 13 13 17313 1 . ASN 14 14 17313 1 . ARG 15 15 17313 1 . GLU 16 16 17313 1 . ILE 17 17 17313 1 . LEU 18 18 17313 1 . TYR 19 19 17313 1 . ARG 20 20 17313 1 . LEU 21 21 17313 1 . MET 22 22 17313 1 . ILE 23 23 17313 1 . SER 24 24 17313 1 . GLN 25 25 17313 1 . LEU 26 26 17313 1 . MET 27 27 17313 1 . TYR 28 28 17313 1 . ASP 29 29 17313 1 . GLY 30 30 17313 1 . LEU 31 31 17313 1 . GLU 32 32 17313 1 . LYS 33 33 17313 1 . PHE 34 34 17313 1 . ALA 35 35 17313 1 . MET 36 36 17313 1 . GLU 37 37 17313 1 . LEU 38 38 17313 1 . SER 39 39 17313 1 . MET 40 40 17313 1 . LEU 41 41 17313 1 . VAL 42 42 17313 1 . LYS 43 43 17313 1 . ALA 44 44 17313 1 . ASP 45 45 17313 1 . GLN 46 46 17313 1 . CYS 47 47 17313 1 . ALA 48 48 17313 1 . PRO 49 49 17313 1 . SER 50 50 17313 1 . GLU 51 51 17313 1 . ARG 52 52 17313 1 . LEU 53 53 17313 1 . LEU 54 54 17313 1 . HIS 55 55 17313 1 . VAL 56 56 17313 1 . MET 57 57 17313 1 . ILE 58 58 17313 1 . ALA 59 59 17313 1 . GLY 60 60 17313 1 . MET 61 61 17313 1 . GLN 62 62 17313 1 . THR 63 63 17313 1 . LEU 64 64 17313 1 . SER 65 65 17313 1 . ASP 66 66 17313 1 . LYS 67 67 17313 1 . ASP 68 68 17313 1 . LYS 69 69 17313 1 . THR 70 70 17313 1 . ASN 71 71 17313 1 . SER 72 72 17313 1 . ASP 73 73 17313 1 . ASP 74 74 17313 1 . VAL 75 75 17313 1 . LEU 76 76 17313 1 . PRO 77 77 17313 1 . GLY 78 78 17313 1 . ILE 79 79 17313 1 . ASP 80 80 17313 1 . LEU 81 81 17313 1 . GLU 82 82 17313 1 . PHE 83 83 17313 1 . GLU 84 84 17313 1 . PRO 85 85 17313 1 . GLU 86 86 17313 1 . ALA 87 87 17313 1 . SER 88 88 17313 1 . ALA 89 89 17313 1 . LEU 90 90 17313 1 . ALA 91 91 17313 1 . PRO 92 92 17313 1 . GLY 93 93 17313 1 . SER 94 94 17313 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 17313 _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 $dCstF-50 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 17313 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 17313 _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 $dCstF-50 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 17313 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17313 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in PBS (phosphate buffered saline)' _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 dCstF-50 '[U-99% 13C; U-99% 15N]' . . 1 $dCstF-50 . . . 0.7 2 mM . . . . 17313 1 2 KH2PO4 'natural abundance' . . . . . . 1.05 . . mM . . . . 17313 1 3 Na2HPO4 'natural abundance' . . . . . . 3 . . mM . . . . 17313 1 4 NaCl 'natural abundance' . . . . . . 154 . . mM . . . . 17313 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17313 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17313 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17313 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 17313 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'phosphate buffered saline (PBS)' 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' 170 . mM 17313 1 pH 7.4 . pH 17313 1 pressure 1 . atm 17313 1 temperature 310 . K 17313 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17313 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17313 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17313 _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' . . 17313 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17313 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17313 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17313 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17313 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17313 _Software.ID 4 _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' . . 17313 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17313 4 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 17313 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm PATXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17313 _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 . 700 '5 mm PATXI 1H-13C/15N/D Z-GRD' . . 17313 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 17313 _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 . . . . . . . . . . . . . . . . 17313 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Spectrometer_1 . . . . . . . . . . . . . . . . 17313 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Spectrometer_1 . . . . . . . . . . . . . . . . 17313 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Spectrometer_1 . . . . . . . . . . . . . . . . 17313 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Spectrometer_1 . . . . . . . . . . . . . . . . 17313 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Spectrometer_1 . . . . . . . . . . . . . . . . 17313 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 17313 _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 . . . . . . . . . 17313 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . . . . . 17313 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17313 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 17313 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 17313 1 2 '3D HNCO' . . . 17313 1 3 '3D HN(CA)CO' . . . 17313 1 4 '3D HNCA' . . . 17313 1 5 '3D HNCACB' . . . 17313 1 6 '3D CBCA(CO)NH' . . . 17313 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 3 $SPARKY . . 17313 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 ASP C C 13 175.904 0.2 . 1 . . . . 3 ASP C . 17313 1 2 . 1 1 3 3 ASP CA C 13 54.761 0.2 . 1 . . . . 3 ASP CA . 17313 1 3 . 1 1 3 3 ASP CB C 13 41.306 0.2 . 1 . . . . 3 ASP CB . 17313 1 4 . 1 1 4 4 GLU H H 1 8.071 0.02 . 1 . . . . 4 GLU HN . 17313 1 5 . 1 1 4 4 GLU C C 13 176.055 0.2 . 1 . . . . 4 GLU C . 17313 1 6 . 1 1 4 4 GLU CA C 13 56.408 0.2 . 1 . . . . 4 GLU CA . 17313 1 7 . 1 1 4 4 GLU CB C 13 30.986 0.2 . 1 . . . . 4 GLU CB . 17313 1 8 . 1 1 4 4 GLU N N 15 120.164 0.2 . 1 . . . . 4 GLU N . 17313 1 9 . 1 1 5 5 ILE H H 1 8.136 0.02 . 1 . . . . 5 ILE HN . 17313 1 10 . 1 1 5 5 ILE C C 13 175.882 0.2 . 1 . . . . 5 ILE C . 17313 1 11 . 1 1 5 5 ILE CA C 13 60.800 0.2 . 1 . . . . 5 ILE CA . 17313 1 12 . 1 1 5 5 ILE CB C 13 38.233 0.2 . 1 . . . . 5 ILE CB . 17313 1 13 . 1 1 5 5 ILE N N 15 121.280 0.2 . 1 . . . . 5 ILE N . 17313 1 14 . 1 1 6 6 LEU H H 1 8.225 0.02 . 1 . . . . 6 LEU HN . 17313 1 15 . 1 1 6 6 LEU C C 13 176.764 0.2 . 1 . . . . 6 LEU C . 17313 1 16 . 1 1 6 6 LEU CA C 13 55.170 0.2 . 1 . . . . 6 LEU CA . 17313 1 17 . 1 1 6 6 LEU CB C 13 42.663 0.2 . 1 . . . . 6 LEU CB . 17313 1 18 . 1 1 6 6 LEU N N 15 126.412 0.2 . 1 . . . . 6 LEU N . 17313 1 19 . 1 1 7 7 ASP H H 1 8.418 0.02 . 1 . . . . 7 ASP HN . 17313 1 20 . 1 1 7 7 ASP N N 15 121.801 0.2 . 1 . . . . 7 ASP N . 17313 1 21 . 1 1 8 8 PRO C C 13 177.112 0.2 . 1 . . . . 8 PRO C . 17313 1 22 . 1 1 8 8 PRO CA C 13 64.862 0.2 . 1 . . . . 8 PRO CA . 17313 1 23 . 1 1 8 8 PRO CB C 13 32.432 0.2 . 1 . . . . 8 PRO CB . 17313 1 24 . 1 1 9 9 SER H H 1 8.277 0.02 . 1 . . . . 9 SER HN . 17313 1 25 . 1 1 9 9 SER C C 13 174.889 0.2 . 1 . . . . 9 SER C . 17313 1 26 . 1 1 9 9 SER CA C 13 59.748 0.2 . 1 . . . . 9 SER CA . 17313 1 27 . 1 1 9 9 SER CB C 13 63.873 0.2 . 1 . . . . 9 SER CB . 17313 1 28 . 1 1 9 9 SER N N 15 112.270 0.2 . 1 . . . . 9 SER N . 17313 1 29 . 1 1 10 10 ASN H H 1 7.701 0.02 . 1 . . . . 10 ASN HN . 17313 1 30 . 1 1 10 10 ASN C C 13 175.565 0.2 . 1 . . . . 10 ASN C . 17313 1 31 . 1 1 10 10 ASN CA C 13 52.586 0.2 . 1 . . . . 10 ASN CA . 17313 1 32 . 1 1 10 10 ASN CB C 13 37.539 0.2 . 1 . . . . 10 ASN CB . 17313 1 33 . 1 1 10 10 ASN N N 15 120.844 0.2 . 1 . . . . 10 ASN N . 17313 1 34 . 1 1 11 11 LEU H H 1 8.127 0.02 . 1 . . . . 11 LEU HN . 17313 1 35 . 1 1 11 11 LEU C C 13 178.630 0.2 . 1 . . . . 11 LEU C . 17313 1 36 . 1 1 11 11 LEU CA C 13 58.476 0.2 . 1 . . . . 11 LEU CA . 17313 1 37 . 1 1 11 11 LEU CB C 13 41.620 0.2 . 1 . . . . 11 LEU CB . 17313 1 38 . 1 1 11 11 LEU N N 15 123.745 0.2 . 1 . . . . 11 LEU N . 17313 1 39 . 1 1 12 12 VAL H H 1 7.877 0.02 . 1 . . . . 12 VAL HN . 17313 1 40 . 1 1 12 12 VAL C C 13 178.962 0.2 . 1 . . . . 12 VAL C . 17313 1 41 . 1 1 12 12 VAL CA C 13 66.546 0.2 . 1 . . . . 12 VAL CA . 17313 1 42 . 1 1 12 12 VAL CB C 13 31.877 0.2 . 1 . . . . 12 VAL CB . 17313 1 43 . 1 1 12 12 VAL N N 15 118.678 0.2 . 1 . . . . 12 VAL N . 17313 1 44 . 1 1 13 13 LYS H H 1 7.540 0.02 . 1 . . . . 13 LYS HN . 17313 1 45 . 1 1 13 13 LYS C C 13 179.210 0.2 . 1 . . . . 13 LYS C . 17313 1 46 . 1 1 13 13 LYS CA C 13 58.069 0.2 . 1 . . . . 13 LYS CA . 17313 1 47 . 1 1 13 13 LYS CB C 13 32.109 0.2 . 1 . . . . 13 LYS CB . 17313 1 48 . 1 1 13 13 LYS N N 15 120.505 0.2 . 1 . . . . 13 LYS N . 17313 1 49 . 1 1 14 14 ASN H H 1 8.214 0.02 . 1 . . . . 14 ASN HN . 17313 1 50 . 1 1 14 14 ASN C C 13 177.166 0.2 . 1 . . . . 14 ASN C . 17313 1 51 . 1 1 14 14 ASN CA C 13 56.240 0.2 . 1 . . . . 14 ASN CA . 17313 1 52 . 1 1 14 14 ASN CB C 13 38.047 0.2 . 1 . . . . 14 ASN CB . 17313 1 53 . 1 1 14 14 ASN N N 15 117.103 0.2 . 1 . . . . 14 ASN N . 17313 1 54 . 1 1 15 15 ARG H H 1 8.413 0.02 . 1 . . . . 15 ARG HN . 17313 1 55 . 1 1 15 15 ARG C C 13 177.851 0.2 . 1 . . . . 15 ARG C . 17313 1 56 . 1 1 15 15 ARG CA C 13 60.350 0.2 . 1 . . . . 15 ARG CA . 17313 1 57 . 1 1 15 15 ARG CB C 13 30.533 0.2 . 1 . . . . 15 ARG CB . 17313 1 58 . 1 1 15 15 ARG N N 15 122.213 0.2 . 1 . . . . 15 ARG N . 17313 1 59 . 1 1 16 16 GLU H H 1 7.629 0.02 . 1 . . . . 16 GLU HN . 17313 1 60 . 1 1 16 16 GLU C C 13 179.935 0.2 . 1 . . . . 16 GLU C . 17313 1 61 . 1 1 16 16 GLU CA C 13 60.357 0.2 . 1 . . . . 16 GLU CA . 17313 1 62 . 1 1 16 16 GLU CB C 13 29.386 0.2 . 1 . . . . 16 GLU CB . 17313 1 63 . 1 1 16 16 GLU N N 15 120.152 0.2 . 1 . . . . 16 GLU N . 17313 1 64 . 1 1 17 17 ILE H H 1 7.709 0.02 . 1 . . . . 17 ILE HN . 17313 1 65 . 1 1 17 17 ILE C C 13 177.813 0.2 . 1 . . . . 17 ILE C . 17313 1 66 . 1 1 17 17 ILE CA C 13 65.412 0.2 . 1 . . . . 17 ILE CA . 17313 1 67 . 1 1 17 17 ILE CB C 13 38.332 0.2 . 1 . . . . 17 ILE CB . 17313 1 68 . 1 1 17 17 ILE N N 15 119.753 0.2 . 1 . . . . 17 ILE N . 17313 1 69 . 1 1 18 18 LEU H H 1 8.245 0.02 . 1 . . . . 18 LEU HN . 17313 1 70 . 1 1 18 18 LEU C C 13 178.867 0.2 . 1 . . . . 18 LEU C . 17313 1 71 . 1 1 18 18 LEU CA C 13 58.562 0.2 . 1 . . . . 18 LEU CA . 17313 1 72 . 1 1 18 18 LEU CB C 13 40.427 0.2 . 1 . . . . 18 LEU CB . 17313 1 73 . 1 1 18 18 LEU N N 15 120.169 0.2 . 1 . . . . 18 LEU N . 17313 1 74 . 1 1 19 19 TYR H H 1 8.544 0.02 . 1 . . . . 19 TYR HN . 17313 1 75 . 1 1 19 19 TYR C C 13 178.754 0.2 . 1 . . . . 19 TYR C . 17313 1 76 . 1 1 19 19 TYR CA C 13 63.969 0.2 . 1 . . . . 19 TYR CA . 17313 1 77 . 1 1 19 19 TYR CB C 13 38.042 0.2 . 1 . . . . 19 TYR CB . 17313 1 78 . 1 1 19 19 TYR N N 15 117.773 0.2 . 1 . . . . 19 TYR N . 17313 1 79 . 1 1 20 20 ARG H H 1 7.777 0.02 . 1 . . . . 20 ARG HN . 17313 1 80 . 1 1 20 20 ARG C C 13 179.379 0.2 . 1 . . . . 20 ARG C . 17313 1 81 . 1 1 20 20 ARG CA C 13 60.897 0.2 . 1 . . . . 20 ARG CA . 17313 1 82 . 1 1 20 20 ARG CB C 13 30.119 0.2 . 1 . . . . 20 ARG CB . 17313 1 83 . 1 1 20 20 ARG N N 15 119.392 0.2 . 1 . . . . 20 ARG N . 17313 1 84 . 1 1 21 21 LEU H H 1 8.514 0.02 . 1 . . . . 21 LEU HN . 17313 1 85 . 1 1 21 21 LEU C C 13 180.836 0.2 . 1 . . . . 21 LEU C . 17313 1 86 . 1 1 21 21 LEU CA C 13 58.215 0.2 . 1 . . . . 21 LEU CA . 17313 1 87 . 1 1 21 21 LEU CB C 13 42.632 0.2 . 1 . . . . 21 LEU CB . 17313 1 88 . 1 1 21 21 LEU N N 15 119.768 0.2 . 1 . . . . 21 LEU N . 17313 1 89 . 1 1 22 22 MET H H 1 9.114 0.02 . 1 . . . . 22 MET HN . 17313 1 90 . 1 1 22 22 MET C C 13 177.663 0.2 . 1 . . . . 22 MET C . 17313 1 91 . 1 1 22 22 MET CA C 13 60.639 0.2 . 1 . . . . 22 MET CA . 17313 1 92 . 1 1 22 22 MET CB C 13 34.376 0.2 . 1 . . . . 22 MET CB . 17313 1 93 . 1 1 22 22 MET N N 15 121.670 0.2 . 1 . . . . 22 MET N . 17313 1 94 . 1 1 23 23 ILE H H 1 8.474 0.02 . 1 . . . . 23 ILE HN . 17313 1 95 . 1 1 23 23 ILE C C 13 178.197 0.2 . 1 . . . . 23 ILE C . 17313 1 96 . 1 1 23 23 ILE CA C 13 66.887 0.2 . 1 . . . . 23 ILE CA . 17313 1 97 . 1 1 23 23 ILE CB C 13 38.354 0.2 . 1 . . . . 23 ILE CB . 17313 1 98 . 1 1 23 23 ILE N N 15 121.115 0.2 . 1 . . . . 23 ILE N . 17313 1 99 . 1 1 24 24 SER H H 1 8.354 0.02 . 1 . . . . 24 SER HN . 17313 1 100 . 1 1 24 24 SER CA C 13 63.839 0.2 . 1 . . . . 24 SER CA . 17313 1 101 . 1 1 24 24 SER N N 15 115.067 0.2 . 1 . . . . 24 SER N . 17313 1 102 . 1 1 25 25 GLN C C 13 177.724 0.2 . 1 . . . . 25 GLN C . 17313 1 103 . 1 1 25 25 GLN CA C 13 58.551 0.2 . 1 . . . . 25 GLN CA . 17313 1 104 . 1 1 25 25 GLN CB C 13 28.790 0.2 . 1 . . . . 25 GLN CB . 17313 1 105 . 1 1 26 26 LEU H H 1 8.502 0.02 . 1 . . . . 26 LEU HN . 17313 1 106 . 1 1 26 26 LEU C C 13 179.784 0.2 . 1 . . . . 26 LEU C . 17313 1 107 . 1 1 26 26 LEU CA C 13 58.391 0.2 . 1 . . . . 26 LEU CA . 17313 1 108 . 1 1 26 26 LEU CB C 13 42.888 0.2 . 1 . . . . 26 LEU CB . 17313 1 109 . 1 1 26 26 LEU N N 15 119.271 0.2 . 1 . . . . 26 LEU N . 17313 1 110 . 1 1 27 27 MET H H 1 8.367 0.02 . 1 . . . . 27 MET HN . 17313 1 111 . 1 1 27 27 MET C C 13 179.762 0.2 . 1 . . . . 27 MET C . 17313 1 112 . 1 1 27 27 MET CA C 13 59.694 0.2 . 1 . . . . 27 MET CA . 17313 1 113 . 1 1 27 27 MET CB C 13 33.720 0.2 . 1 . . . . 27 MET CB . 17313 1 114 . 1 1 27 27 MET N N 15 115.752 0.2 . 1 . . . . 27 MET N . 17313 1 115 . 1 1 28 28 TYR H H 1 8.454 0.02 . 1 . . . . 28 TYR HN . 17313 1 116 . 1 1 28 28 TYR C C 13 177.218 0.2 . 1 . . . . 28 TYR C . 17313 1 117 . 1 1 28 28 TYR CA C 13 62.494 0.2 . 1 . . . . 28 TYR CA . 17313 1 118 . 1 1 28 28 TYR CB C 13 38.783 0.2 . 1 . . . . 28 TYR CB . 17313 1 119 . 1 1 28 28 TYR N N 15 123.517 0.2 . 1 . . . . 28 TYR N . 17313 1 120 . 1 1 29 29 ASP H H 1 8.298 0.02 . 1 . . . . 29 ASP HN . 17313 1 121 . 1 1 29 29 ASP C C 13 176.225 0.2 . 1 . . . . 29 ASP C . 17313 1 122 . 1 1 29 29 ASP CA C 13 54.987 0.2 . 1 . . . . 29 ASP CA . 17313 1 123 . 1 1 29 29 ASP CB C 13 40.373 0.2 . 1 . . . . 29 ASP CB . 17313 1 124 . 1 1 29 29 ASP N N 15 116.642 0.2 . 1 . . . . 29 ASP N . 17313 1 125 . 1 1 30 30 GLY H H 1 7.657 0.02 . 1 . . . . 30 GLY HN . 17313 1 126 . 1 1 30 30 GLY C C 13 175.440 0.2 . 1 . . . . 30 GLY C . 17313 1 127 . 1 1 30 30 GLY CA C 13 46.092 0.2 . 1 . . . . 30 GLY CA . 17313 1 128 . 1 1 30 30 GLY N N 15 106.826 0.2 . 1 . . . . 30 GLY N . 17313 1 129 . 1 1 31 31 LEU H H 1 8.444 0.02 . 1 . . . . 31 LEU HN . 17313 1 130 . 1 1 31 31 LEU C C 13 175.448 0.2 . 1 . . . . 31 LEU C . 17313 1 131 . 1 1 31 31 LEU CA C 13 53.129 0.2 . 1 . . . . 31 LEU CA . 17313 1 132 . 1 1 31 31 LEU CB C 13 40.013 0.2 . 1 . . . . 31 LEU CB . 17313 1 133 . 1 1 31 31 LEU N N 15 125.790 0.2 . 1 . . . . 31 LEU N . 17313 1 134 . 1 1 32 32 GLU H H 1 8.069 0.02 . 1 . . . . 32 GLU HN . 17313 1 135 . 1 1 32 32 GLU N N 15 120.294 0.2 . 1 . . . . 32 GLU N . 17313 1 136 . 1 1 33 33 LYS C C 13 179.412 0.2 . 1 . . . . 33 LYS C . 17313 1 137 . 1 1 33 33 LYS CA C 13 60.071 0.2 . 1 . . . . 33 LYS CA . 17313 1 138 . 1 1 33 33 LYS CB C 13 31.914 0.2 . 1 . . . . 33 LYS CB . 17313 1 139 . 1 1 34 34 PHE H H 1 7.750 0.02 . 1 . . . . 34 PHE HN . 17313 1 140 . 1 1 34 34 PHE C C 13 177.533 0.2 . 1 . . . . 34 PHE C . 17313 1 141 . 1 1 34 34 PHE CA C 13 61.352 0.2 . 1 . . . . 34 PHE CA . 17313 1 142 . 1 1 34 34 PHE CB C 13 39.442 0.2 . 1 . . . . 34 PHE CB . 17313 1 143 . 1 1 34 34 PHE N N 15 119.338 0.2 . 1 . . . . 34 PHE N . 17313 1 144 . 1 1 35 35 ALA H H 1 8.540 0.02 . 1 . . . . 35 ALA HN . 17313 1 145 . 1 1 35 35 ALA C C 13 179.783 0.2 . 1 . . . . 35 ALA C . 17313 1 146 . 1 1 35 35 ALA CA C 13 55.607 0.2 . 1 . . . . 35 ALA CA . 17313 1 147 . 1 1 35 35 ALA CB C 13 19.833 0.2 . 1 . . . . 35 ALA CB . 17313 1 148 . 1 1 35 35 ALA N N 15 121.144 0.2 . 1 . . . . 35 ALA N . 17313 1 149 . 1 1 36 36 MET H H 1 8.464 0.02 . 1 . . . . 36 MET HN . 17313 1 150 . 1 1 36 36 MET C C 13 179.414 0.2 . 1 . . . . 36 MET C . 17313 1 151 . 1 1 36 36 MET CA C 13 58.075 0.2 . 1 . . . . 36 MET CA . 17313 1 152 . 1 1 36 36 MET CB C 13 31.913 0.2 . 1 . . . . 36 MET CB . 17313 1 153 . 1 1 36 36 MET N N 15 116.934 0.2 . 1 . . . . 36 MET N . 17313 1 154 . 1 1 37 37 GLU H H 1 7.999 0.02 . 1 . . . . 37 GLU HN . 17313 1 155 . 1 1 37 37 GLU C C 13 179.552 0.2 . 1 . . . . 37 GLU C . 17313 1 156 . 1 1 37 37 GLU CA C 13 59.895 0.2 . 1 . . . . 37 GLU CA . 17313 1 157 . 1 1 37 37 GLU CB C 13 29.397 0.2 . 1 . . . . 37 GLU CB . 17313 1 158 . 1 1 37 37 GLU N N 15 121.798 0.2 . 1 . . . . 37 GLU N . 17313 1 159 . 1 1 38 38 LEU H H 1 8.354 0.02 . 1 . . . . 38 LEU HN . 17313 1 160 . 1 1 38 38 LEU C C 13 178.325 0.2 . 1 . . . . 38 LEU C . 17313 1 161 . 1 1 38 38 LEU CA C 13 57.757 0.2 . 1 . . . . 38 LEU CA . 17313 1 162 . 1 1 38 38 LEU CB C 13 41.089 0.2 . 1 . . . . 38 LEU CB . 17313 1 163 . 1 1 38 38 LEU N N 15 121.016 0.2 . 1 . . . . 38 LEU N . 17313 1 164 . 1 1 39 39 SER H H 1 8.412 0.02 . 1 . . . . 39 SER HN . 17313 1 165 . 1 1 39 39 SER C C 13 176.872 0.2 . 1 . . . . 39 SER C . 17313 1 166 . 1 1 39 39 SER CA C 13 62.167 0.2 . 1 . . . . 39 SER CA . 17313 1 167 . 1 1 39 39 SER CB C 13 62.977 0.2 . 1 . . . . 39 SER CB . 17313 1 168 . 1 1 39 39 SER N N 15 113.254 0.2 . 1 . . . . 39 SER N . 17313 1 169 . 1 1 40 40 MET H H 1 7.672 0.02 . 1 . . . . 40 MET HN . 17313 1 170 . 1 1 40 40 MET C C 13 178.781 0.2 . 1 . . . . 40 MET C . 17313 1 171 . 1 1 40 40 MET CA C 13 58.081 0.2 . 1 . . . . 40 MET CA . 17313 1 172 . 1 1 40 40 MET CB C 13 32.505 0.2 . 1 . . . . 40 MET CB . 17313 1 173 . 1 1 40 40 MET N N 15 118.851 0.2 . 1 . . . . 40 MET N . 17313 1 174 . 1 1 41 41 LEU H H 1 7.830 0.02 . 1 . . . . 41 LEU HN . 17313 1 175 . 1 1 41 41 LEU C C 13 179.296 0.2 . 1 . . . . 41 LEU C . 17313 1 176 . 1 1 41 41 LEU CA C 13 57.942 0.2 . 1 . . . . 41 LEU CA . 17313 1 177 . 1 1 41 41 LEU CB C 13 42.668 0.2 . 1 . . . . 41 LEU CB . 17313 1 178 . 1 1 41 41 LEU N N 15 121.055 0.2 . 1 . . . . 41 LEU N . 17313 1 179 . 1 1 42 42 VAL H H 1 7.692 0.02 . 1 . . . . 42 VAL HN . 17313 1 180 . 1 1 42 42 VAL C C 13 175.180 0.2 . 1 . . . . 42 VAL C . 17313 1 181 . 1 1 42 42 VAL CA C 13 60.739 0.2 . 1 . . . . 42 VAL CA . 17313 1 182 . 1 1 42 42 VAL CB C 13 31.607 0.2 . 1 . . . . 42 VAL CB . 17313 1 183 . 1 1 42 42 VAL N N 15 108.613 0.2 . 1 . . . . 42 VAL N . 17313 1 184 . 1 1 43 43 LYS H H 1 7.696 0.02 . 1 . . . . 43 LYS HN . 17313 1 185 . 1 1 43 43 LYS C C 13 175.777 0.2 . 1 . . . . 43 LYS C . 17313 1 186 . 1 1 43 43 LYS CA C 13 56.961 0.2 . 1 . . . . 43 LYS CA . 17313 1 187 . 1 1 43 43 LYS CB C 13 28.873 0.2 . 1 . . . . 43 LYS CB . 17313 1 188 . 1 1 43 43 LYS N N 15 120.422 0.2 . 1 . . . . 43 LYS N . 17313 1 189 . 1 1 44 44 ALA H H 1 7.948 0.02 . 1 . . . . 44 ALA HN . 17313 1 190 . 1 1 44 44 ALA C C 13 177.345 0.2 . 1 . . . . 44 ALA C . 17313 1 191 . 1 1 44 44 ALA CA C 13 51.637 0.2 . 1 . . . . 44 ALA CA . 17313 1 192 . 1 1 44 44 ALA CB C 13 20.932 0.2 . 1 . . . . 44 ALA CB . 17313 1 193 . 1 1 44 44 ALA N N 15 122.157 0.2 . 1 . . . . 44 ALA N . 17313 1 194 . 1 1 45 45 ASP H H 1 8.273 0.02 . 1 . . . . 45 ASP HN . 17313 1 195 . 1 1 45 45 ASP C C 13 175.722 0.2 . 1 . . . . 45 ASP C . 17313 1 196 . 1 1 45 45 ASP CA C 13 53.761 0.2 . 1 . . . . 45 ASP CA . 17313 1 197 . 1 1 45 45 ASP CB C 13 42.080 0.2 . 1 . . . . 45 ASP CB . 17313 1 198 . 1 1 45 45 ASP N N 15 120.634 0.2 . 1 . . . . 45 ASP N . 17313 1 199 . 1 1 46 46 GLN H H 1 8.437 0.02 . 1 . . . . 46 GLN HN . 17313 1 200 . 1 1 46 46 GLN C C 13 176.107 0.2 . 1 . . . . 46 GLN C . 17313 1 201 . 1 1 46 46 GLN CA C 13 57.041 0.2 . 1 . . . . 46 GLN CA . 17313 1 202 . 1 1 46 46 GLN CB C 13 28.494 0.2 . 1 . . . . 46 GLN CB . 17313 1 203 . 1 1 46 46 GLN N N 15 117.944 0.2 . 1 . . . . 46 GLN N . 17313 1 204 . 1 1 47 47 CYS H H 1 8.235 0.02 . 1 . . . . 47 CYS HN . 17313 1 205 . 1 1 47 47 CYS C C 13 172.909 0.2 . 1 . . . . 47 CYS C . 17313 1 206 . 1 1 47 47 CYS CA C 13 58.701 0.2 . 1 . . . . 47 CYS CA . 17313 1 207 . 1 1 47 47 CYS CB C 13 30.032 0.2 . 1 . . . . 47 CYS CB . 17313 1 208 . 1 1 47 47 CYS N N 15 121.301 0.2 . 1 . . . . 47 CYS N . 17313 1 209 . 1 1 48 48 ALA H H 1 8.441 0.02 . 1 . . . . 48 ALA HN . 17313 1 210 . 1 1 48 48 ALA C C 13 177.847 0.2 . 1 . . . . 48 ALA C . 17313 1 211 . 1 1 48 48 ALA CA C 13 49.724 0.2 . 1 . . . . 48 ALA CA . 17313 1 212 . 1 1 48 48 ALA CB C 13 19.267 0.2 . 1 . . . . 48 ALA CB . 17313 1 213 . 1 1 48 48 ALA N N 15 125.617 0.2 . 1 . . . . 48 ALA N . 17313 1 214 . 1 1 49 49 PRO C C 13 177.047 0.2 . 1 . . . . 49 PRO C . 17313 1 215 . 1 1 49 49 PRO CA C 13 63.321 0.2 . 1 . . . . 49 PRO CA . 17313 1 216 . 1 1 49 49 PRO CB C 13 31.946 0.2 . 1 . . . . 49 PRO CB . 17313 1 217 . 1 1 50 50 SER H H 1 7.953 0.02 . 1 . . . . 50 SER HN . 17313 1 218 . 1 1 50 50 SER C C 13 172.545 0.2 . 1 . . . . 50 SER C . 17313 1 219 . 1 1 50 50 SER CA C 13 58.602 0.2 . 1 . . . . 50 SER CA . 17313 1 220 . 1 1 50 50 SER CB C 13 64.984 0.2 . 1 . . . . 50 SER CB . 17313 1 221 . 1 1 50 50 SER N N 15 119.769 0.2 . 1 . . . . 50 SER N . 17313 1 222 . 1 1 51 51 GLU H H 1 8.183 0.02 . 1 . . . . 51 GLU HN . 17313 1 223 . 1 1 51 51 GLU C C 13 175.291 0.2 . 1 . . . . 51 GLU C . 17313 1 224 . 1 1 51 51 GLU CA C 13 53.613 0.2 . 1 . . . . 51 GLU CA . 17313 1 225 . 1 1 51 51 GLU CB C 13 29.165 0.2 . 1 . . . . 51 GLU CB . 17313 1 226 . 1 1 51 51 GLU N N 15 124.829 0.2 . 1 . . . . 51 GLU N . 17313 1 227 . 1 1 52 52 ARG H H 1 7.807 0.02 . 1 . . . . 52 ARG HN . 17313 1 228 . 1 1 52 52 ARG C C 13 178.127 0.2 . 1 . . . . 52 ARG C . 17313 1 229 . 1 1 52 52 ARG CA C 13 59.488 0.2 . 1 . . . . 52 ARG CA . 17313 1 230 . 1 1 52 52 ARG CB C 13 30.142 0.2 . 1 . . . . 52 ARG CB . 17313 1 231 . 1 1 52 52 ARG N N 15 120.155 0.2 . 1 . . . . 52 ARG N . 17313 1 232 . 1 1 53 53 LEU H H 1 9.236 0.02 . 1 . . . . 53 LEU HN . 17313 1 233 . 1 1 53 53 LEU C C 13 177.071 0.2 . 1 . . . . 53 LEU C . 17313 1 234 . 1 1 53 53 LEU CA C 13 58.056 0.2 . 1 . . . . 53 LEU CA . 17313 1 235 . 1 1 53 53 LEU CB C 13 39.795 0.2 . 1 . . . . 53 LEU CB . 17313 1 236 . 1 1 53 53 LEU N N 15 117.325 0.2 . 1 . . . . 53 LEU N . 17313 1 237 . 1 1 54 54 LEU H H 1 7.249 0.02 . 1 . . . . 54 LEU HN . 17313 1 238 . 1 1 54 54 LEU C C 13 177.418 0.2 . 1 . . . . 54 LEU C . 17313 1 239 . 1 1 54 54 LEU CA C 13 58.732 0.2 . 1 . . . . 54 LEU CA . 17313 1 240 . 1 1 54 54 LEU CB C 13 41.427 0.2 . 1 . . . . 54 LEU CB . 17313 1 241 . 1 1 54 54 LEU N N 15 119.337 0.2 . 1 . . . . 54 LEU N . 17313 1 242 . 1 1 55 55 HIS H H 1 7.114 0.02 . 1 . . . . 55 HIS HN . 17313 1 243 . 1 1 55 55 HIS C C 13 179.680 0.2 . 1 . . . . 55 HIS C . 17313 1 244 . 1 1 55 55 HIS CA C 13 59.793 0.2 . 1 . . . . 55 HIS CA . 17313 1 245 . 1 1 55 55 HIS CB C 13 30.888 0.2 . 1 . . . . 55 HIS CB . 17313 1 246 . 1 1 55 55 HIS N N 15 116.855 0.2 . 1 . . . . 55 HIS N . 17313 1 247 . 1 1 56 56 VAL H H 1 8.980 0.02 . 1 . . . . 56 VAL HN . 17313 1 248 . 1 1 56 56 VAL C C 13 177.685 0.2 . 1 . . . . 56 VAL C . 17313 1 249 . 1 1 56 56 VAL CA C 13 66.325 0.2 . 1 . . . . 56 VAL CA . 17313 1 250 . 1 1 56 56 VAL CB C 13 31.780 0.2 . 1 . . . . 56 VAL CB . 17313 1 251 . 1 1 56 56 VAL N N 15 121.903 0.2 . 1 . . . . 56 VAL N . 17313 1 252 . 1 1 57 57 MET H H 1 8.953 0.02 . 1 . . . . 57 MET HN . 17313 1 253 . 1 1 57 57 MET C C 13 177.998 0.2 . 1 . . . . 57 MET C . 17313 1 254 . 1 1 57 57 MET CA C 13 59.284 0.2 . 1 . . . . 57 MET CA . 17313 1 255 . 1 1 57 57 MET CB C 13 32.308 0.2 . 1 . . . . 57 MET CB . 17313 1 256 . 1 1 57 57 MET N N 15 121.924 0.2 . 1 . . . . 57 MET N . 17313 1 257 . 1 1 58 58 ILE H H 1 8.121 0.02 . 1 . . . . 58 ILE HN . 17313 1 258 . 1 1 58 58 ILE C C 13 178.259 0.2 . 1 . . . . 58 ILE C . 17313 1 259 . 1 1 58 58 ILE CA C 13 66.225 0.2 . 1 . . . . 58 ILE CA . 17313 1 260 . 1 1 58 58 ILE CB C 13 38.650 0.2 . 1 . . . . 58 ILE CB . 17313 1 261 . 1 1 58 58 ILE N N 15 119.995 0.2 . 1 . . . . 58 ILE N . 17313 1 262 . 1 1 59 59 ALA H H 1 7.649 0.02 . 1 . . . . 59 ALA HN . 17313 1 263 . 1 1 59 59 ALA C C 13 181.013 0.2 . 1 . . . . 59 ALA C . 17313 1 264 . 1 1 59 59 ALA CA C 13 54.852 0.2 . 1 . . . . 59 ALA CA . 17313 1 265 . 1 1 59 59 ALA CB C 13 18.465 0.2 . 1 . . . . 59 ALA CB . 17313 1 266 . 1 1 59 59 ALA N N 15 120.439 0.2 . 1 . . . . 59 ALA N . 17313 1 267 . 1 1 60 60 GLY H H 1 8.971 0.02 . 1 . . . . 60 GLY HN . 17313 1 268 . 1 1 60 60 GLY C C 13 175.654 0.2 . 1 . . . . 60 GLY C . 17313 1 269 . 1 1 60 60 GLY CA C 13 47.593 0.2 . 1 . . . . 60 GLY CA . 17313 1 270 . 1 1 60 60 GLY N N 15 108.090 0.2 . 1 . . . . 60 GLY N . 17313 1 271 . 1 1 61 61 MET H H 1 8.767 0.02 . 1 . . . . 61 MET HN . 17313 1 272 . 1 1 61 61 MET C C 13 178.997 0.2 . 1 . . . . 61 MET C . 17313 1 273 . 1 1 61 61 MET CA C 13 58.765 0.2 . 1 . . . . 61 MET CA . 17313 1 274 . 1 1 61 61 MET CB C 13 32.538 0.2 . 1 . . . . 61 MET CB . 17313 1 275 . 1 1 61 61 MET N N 15 120.967 0.2 . 1 . . . . 61 MET N . 17313 1 276 . 1 1 62 62 GLN H H 1 7.793 0.02 . 1 . . . . 62 GLN HN . 17313 1 277 . 1 1 62 62 GLN C C 13 178.160 0.2 . 1 . . . . 62 GLN C . 17313 1 278 . 1 1 62 62 GLN CA C 13 58.732 0.2 . 1 . . . . 62 GLN CA . 17313 1 279 . 1 1 62 62 GLN CB C 13 29.103 0.2 . 1 . . . . 62 GLN CB . 17313 1 280 . 1 1 62 62 GLN N N 15 118.198 0.2 . 1 . . . . 62 GLN N . 17313 1 281 . 1 1 63 63 THR H H 1 7.898 0.02 . 1 . . . . 63 THR HN . 17313 1 282 . 1 1 63 63 THR C C 13 176.000 0.2 . 1 . . . . 63 THR C . 17313 1 283 . 1 1 63 63 THR CA C 13 65.334 0.2 . 1 . . . . 63 THR CA . 17313 1 284 . 1 1 63 63 THR CB C 13 69.243 0.2 . 1 . . . . 63 THR CB . 17313 1 285 . 1 1 63 63 THR N N 15 115.262 0.2 . 1 . . . . 63 THR N . 17313 1 286 . 1 1 64 64 LEU H H 1 7.998 0.02 . 1 . . . . 64 LEU HN . 17313 1 287 . 1 1 64 64 LEU C C 13 178.837 0.2 . 1 . . . . 64 LEU C . 17313 1 288 . 1 1 64 64 LEU CA C 13 56.419 0.2 . 1 . . . . 64 LEU CA . 17313 1 289 . 1 1 64 64 LEU CB C 13 41.831 0.2 . 1 . . . . 64 LEU CB . 17313 1 290 . 1 1 64 64 LEU N N 15 122.569 0.2 . 1 . . . . 64 LEU N . 17313 1 291 . 1 1 65 65 SER H H 1 7.854 0.02 . 1 . . . . 65 SER HN . 17313 1 292 . 1 1 65 65 SER C C 13 175.204 0.2 . 1 . . . . 65 SER C . 17313 1 293 . 1 1 65 65 SER CA C 13 59.811 0.2 . 1 . . . . 65 SER CA . 17313 1 294 . 1 1 65 65 SER CB C 13 63.772 0.2 . 1 . . . . 65 SER CB . 17313 1 295 . 1 1 65 65 SER N N 15 115.383 0.2 . 1 . . . . 65 SER N . 17313 1 296 . 1 1 66 66 ASP H H 1 8.078 0.02 . 1 . . . . 66 ASP HN . 17313 1 297 . 1 1 66 66 ASP C C 13 175.360 0.2 . 1 . . . . 66 ASP C . 17313 1 298 . 1 1 66 66 ASP CA C 13 55.296 0.2 . 1 . . . . 66 ASP CA . 17313 1 299 . 1 1 66 66 ASP CB C 13 41.241 0.2 . 1 . . . . 66 ASP CB . 17313 1 300 . 1 1 66 66 ASP N N 15 122.042 0.2 . 1 . . . . 66 ASP N . 17313 1 301 . 1 1 67 67 LYS H H 1 7.974 0.02 . 1 . . . . 67 LYS HN . 17313 1 302 . 1 1 67 67 LYS CA C 13 57.325 0.2 . 1 . . . . 67 LYS CA . 17313 1 303 . 1 1 67 67 LYS CB C 13 32.940 0.2 . 1 . . . . 67 LYS CB . 17313 1 304 . 1 1 67 67 LYS N N 15 120.513 0.2 . 1 . . . . 67 LYS N . 17313 1 305 . 1 1 68 68 ASP H H 1 8.169 0.02 . 1 . . . . 68 ASP HN . 17313 1 306 . 1 1 68 68 ASP CA C 13 54.929 0.2 . 1 . . . . 68 ASP CA . 17313 1 307 . 1 1 68 68 ASP N N 15 120.083 0.2 . 1 . . . . 68 ASP N . 17313 1 308 . 1 1 69 69 LYS C C 13 177.118 0.2 . 1 . . . . 69 LYS C . 17313 1 309 . 1 1 69 69 LYS CA C 13 56.678 0.2 . 1 . . . . 69 LYS CA . 17313 1 310 . 1 1 69 69 LYS CB C 13 32.899 0.2 . 1 . . . . 69 LYS CB . 17313 1 311 . 1 1 70 70 THR H H 1 8.135 0.02 . 1 . . . . 70 THR HN . 17313 1 312 . 1 1 70 70 THR C C 13 174.212 0.2 . 1 . . . . 70 THR C . 17313 1 313 . 1 1 70 70 THR CA C 13 62.128 0.2 . 1 . . . . 70 THR CA . 17313 1 314 . 1 1 70 70 THR CB C 13 70.030 0.2 . 1 . . . . 70 THR CB . 17313 1 315 . 1 1 70 70 THR N N 15 114.483 0.2 . 1 . . . . 70 THR N . 17313 1 316 . 1 1 71 71 ASN H H 1 8.013 0.02 . 1 . . . . 71 ASN HN . 17313 1 317 . 1 1 71 71 ASN CA C 13 54.951 0.2 . 1 . . . . 71 ASN CA . 17313 1 318 . 1 1 71 71 ASN CB C 13 41.009 0.2 . 1 . . . . 71 ASN CB . 17313 1 319 . 1 1 71 71 ASN N N 15 126.354 0.2 . 1 . . . . 71 ASN N . 17313 1 320 . 1 1 72 72 SER C C 13 174.523 0.2 . 1 . . . . 72 SER C . 17313 1 321 . 1 1 72 72 SER CA C 13 58.633 0.2 . 1 . . . . 72 SER CA . 17313 1 322 . 1 1 72 72 SER CB C 13 64.001 0.2 . 1 . . . . 72 SER CB . 17313 1 323 . 1 1 73 73 ASP H H 1 8.337 0.02 . 1 . . . . 73 ASP HN . 17313 1 324 . 1 1 73 73 ASP C C 13 176.112 0.2 . 1 . . . . 73 ASP C . 17313 1 325 . 1 1 73 73 ASP CA C 13 54.833 0.2 . 1 . . . . 73 ASP CA . 17313 1 326 . 1 1 73 73 ASP CB C 13 41.284 0.2 . 1 . . . . 73 ASP CB . 17313 1 327 . 1 1 73 73 ASP N N 15 122.220 0.2 . 1 . . . . 73 ASP N . 17313 1 328 . 1 1 74 74 ASP H H 1 8.167 0.02 . 1 . . . . 74 ASP HN . 17313 1 329 . 1 1 74 74 ASP C C 13 176.096 0.2 . 1 . . . . 74 ASP C . 17313 1 330 . 1 1 74 74 ASP CA C 13 54.627 0.2 . 1 . . . . 74 ASP CA . 17313 1 331 . 1 1 74 74 ASP CB C 13 41.343 0.2 . 1 . . . . 74 ASP CB . 17313 1 332 . 1 1 74 74 ASP N N 15 120.281 0.2 . 1 . . . . 74 ASP N . 17313 1 333 . 1 1 75 75 VAL H H 1 7.897 0.02 . 1 . . . . 75 VAL HN . 17313 1 334 . 1 1 75 75 VAL C C 13 175.946 0.2 . 1 . . . . 75 VAL C . 17313 1 335 . 1 1 75 75 VAL CA C 13 62.197 0.2 . 1 . . . . 75 VAL CA . 17313 1 336 . 1 1 75 75 VAL CB C 13 32.888 0.2 . 1 . . . . 75 VAL CB . 17313 1 337 . 1 1 75 75 VAL N N 15 119.691 0.2 . 1 . . . . 75 VAL N . 17313 1 338 . 1 1 76 76 LEU H H 1 8.256 0.02 . 1 . . . . 76 LEU HN . 17313 1 339 . 1 1 76 76 LEU C C 13 175.260 0.2 . 1 . . . . 76 LEU C . 17313 1 340 . 1 1 76 76 LEU CA C 13 52.955 0.2 . 1 . . . . 76 LEU CA . 17313 1 341 . 1 1 76 76 LEU CB C 13 42.006 0.2 . 1 . . . . 76 LEU CB . 17313 1 342 . 1 1 76 76 LEU N N 15 127.379 0.2 . 1 . . . . 76 LEU N . 17313 1 343 . 1 1 77 77 PRO C C 13 177.607 0.2 . 1 . . . . 77 PRO C . 17313 1 344 . 1 1 77 77 PRO CA C 13 63.343 0.2 . 1 . . . . 77 PRO CA . 17313 1 345 . 1 1 77 77 PRO CB C 13 32.190 0.2 . 1 . . . . 77 PRO CB . 17313 1 346 . 1 1 78 78 GLY H H 1 8.327 0.02 . 1 . . . . 78 GLY HN . 17313 1 347 . 1 1 78 78 GLY C C 13 174.209 0.2 . 1 . . . . 78 GLY C . 17313 1 348 . 1 1 78 78 GLY CA C 13 45.461 0.2 . 1 . . . . 78 GLY CA . 17313 1 349 . 1 1 78 78 GLY N N 15 108.988 0.2 . 1 . . . . 78 GLY N . 17313 1 350 . 1 1 79 79 ILE H H 1 7.821 0.02 . 1 . . . . 79 ILE HN . 17313 1 351 . 1 1 79 79 ILE C C 13 175.740 0.2 . 1 . . . . 79 ILE C . 17313 1 352 . 1 1 79 79 ILE CA C 13 61.058 0.2 . 1 . . . . 79 ILE CA . 17313 1 353 . 1 1 79 79 ILE CB C 13 39.219 0.2 . 1 . . . . 79 ILE CB . 17313 1 354 . 1 1 79 79 ILE N N 15 119.474 0.2 . 1 . . . . 79 ILE N . 17313 1 355 . 1 1 80 80 ASP H H 1 8.359 0.02 . 1 . . . . 80 ASP HN . 17313 1 356 . 1 1 80 80 ASP C C 13 176.116 0.2 . 1 . . . . 80 ASP C . 17313 1 357 . 1 1 80 80 ASP CA C 13 54.363 0.2 . 1 . . . . 80 ASP CA . 17313 1 358 . 1 1 80 80 ASP CB C 13 41.346 0.2 . 1 . . . . 80 ASP CB . 17313 1 359 . 1 1 80 80 ASP N N 15 124.036 0.2 . 1 . . . . 80 ASP N . 17313 1 360 . 1 1 81 81 LEU H H 1 8.083 0.02 . 1 . . . . 81 LEU HN . 17313 1 361 . 1 1 81 81 LEU C C 13 177.324 0.2 . 1 . . . . 81 LEU C . 17313 1 362 . 1 1 81 81 LEU CA C 13 55.275 0.2 . 1 . . . . 81 LEU CA . 17313 1 363 . 1 1 81 81 LEU CB C 13 42.717 0.2 . 1 . . . . 81 LEU CB . 17313 1 364 . 1 1 81 81 LEU N N 15 122.914 0.2 . 1 . . . . 81 LEU N . 17313 1 365 . 1 1 82 82 GLU H H 1 8.275 0.02 . 1 . . . . 82 GLU HN . 17313 1 366 . 1 1 82 82 GLU C C 13 176.043 0.2 . 1 . . . . 82 GLU C . 17313 1 367 . 1 1 82 82 GLU CA C 13 56.643 0.2 . 1 . . . . 82 GLU CA . 17313 1 368 . 1 1 82 82 GLU CB C 13 30.450 0.2 . 1 . . . . 82 GLU CB . 17313 1 369 . 1 1 82 82 GLU N N 15 121.157 0.2 . 1 . . . . 82 GLU N . 17313 1 370 . 1 1 83 83 PHE H H 1 8.004 0.02 . 1 . . . . 83 PHE HN . 17313 1 371 . 1 1 83 83 PHE C C 13 175.166 0.2 . 1 . . . . 83 PHE C . 17313 1 372 . 1 1 83 83 PHE CA C 13 57.446 0.2 . 1 . . . . 83 PHE CA . 17313 1 373 . 1 1 83 83 PHE CB C 13 40.154 0.2 . 1 . . . . 83 PHE CB . 17313 1 374 . 1 1 83 83 PHE N N 15 120.798 0.2 . 1 . . . . 83 PHE N . 17313 1 375 . 1 1 84 84 GLU H H 1 8.222 0.02 . 1 . . . . 84 GLU HN . 17313 1 376 . 1 1 84 84 GLU C C 13 174.304 0.2 . 1 . . . . 84 GLU C . 17313 1 377 . 1 1 84 84 GLU CA C 13 54.087 0.2 . 1 . . . . 84 GLU CA . 17313 1 378 . 1 1 84 84 GLU CB C 13 30.366 0.2 . 1 . . . . 84 GLU CB . 17313 1 379 . 1 1 84 84 GLU N N 15 124.610 0.2 . 1 . . . . 84 GLU N . 17313 1 380 . 1 1 85 85 PRO C C 13 177.260 0.2 . 1 . . . . 85 PRO C . 17313 1 381 . 1 1 85 85 PRO CA C 13 63.402 0.2 . 1 . . . . 85 PRO CA . 17313 1 382 . 1 1 85 85 PRO CB C 13 32.221 0.2 . 1 . . . . 85 PRO CB . 17313 1 383 . 1 1 86 86 GLU H H 1 8.507 0.02 . 1 . . . . 86 GLU HN . 17313 1 384 . 1 1 86 86 GLU C C 13 176.801 0.2 . 1 . . . . 86 GLU C . 17313 1 385 . 1 1 86 86 GLU CA C 13 56.904 0.2 . 1 . . . . 86 GLU CA . 17313 1 386 . 1 1 86 86 GLU CB C 13 30.203 0.2 . 1 . . . . 86 GLU CB . 17313 1 387 . 1 1 86 86 GLU N N 15 120.798 0.2 . 1 . . . . 86 GLU N . 17313 1 388 . 1 1 87 87 ALA H H 1 8.267 0.02 . 1 . . . . 87 ALA HN . 17313 1 389 . 1 1 87 87 ALA C C 13 178.210 0.2 . 1 . . . . 87 ALA C . 17313 1 390 . 1 1 87 87 ALA CA C 13 52.976 0.2 . 1 . . . . 87 ALA CA . 17313 1 391 . 1 1 87 87 ALA CB C 13 19.317 0.2 . 1 . . . . 87 ALA CB . 17313 1 392 . 1 1 87 87 ALA N N 15 125.279 0.2 . 1 . . . . 87 ALA N . 17313 1 393 . 1 1 88 88 SER H H 1 8.191 0.02 . 1 . . . . 88 SER HN . 17313 1 394 . 1 1 88 88 SER C C 13 174.648 0.2 . 1 . . . . 88 SER C . 17313 1 395 . 1 1 88 88 SER CA C 13 58.634 0.2 . 1 . . . . 88 SER CA . 17313 1 396 . 1 1 88 88 SER CB C 13 63.902 0.2 . 1 . . . . 88 SER CB . 17313 1 397 . 1 1 88 88 SER N N 15 114.789 0.2 . 1 . . . . 88 SER N . 17313 1 398 . 1 1 89 89 ALA H H 1 8.157 0.02 . 1 . . . . 89 ALA HN . 17313 1 399 . 1 1 89 89 ALA C C 13 177.657 0.2 . 1 . . . . 89 ALA C . 17313 1 400 . 1 1 89 89 ALA CA C 13 52.605 0.2 . 1 . . . . 89 ALA CA . 17313 1 401 . 1 1 89 89 ALA CB C 13 19.407 0.2 . 1 . . . . 89 ALA CB . 17313 1 402 . 1 1 89 89 ALA N N 15 125.821 0.2 . 1 . . . . 89 ALA N . 17313 1 403 . 1 1 90 90 LEU H H 1 7.983 0.02 . 1 . . . . 90 LEU HN . 17313 1 404 . 1 1 90 90 LEU C C 13 176.908 0.2 . 1 . . . . 90 LEU C . 17313 1 405 . 1 1 90 90 LEU CA C 13 54.921 0.2 . 1 . . . . 90 LEU CA . 17313 1 406 . 1 1 90 90 LEU CB C 13 42.574 0.2 . 1 . . . . 90 LEU CB . 17313 1 407 . 1 1 90 90 LEU N N 15 120.950 0.2 . 1 . . . . 90 LEU N . 17313 1 408 . 1 1 91 91 ALA H H 1 8.130 0.02 . 1 . . . . 91 ALA HN . 17313 1 409 . 1 1 91 91 ALA C C 13 175.659 0.2 . 1 . . . . 91 ALA C . 17313 1 410 . 1 1 91 91 ALA CA C 13 50.472 0.2 . 1 . . . . 91 ALA CA . 17313 1 411 . 1 1 91 91 ALA CB C 13 18.422 0.2 . 1 . . . . 91 ALA CB . 17313 1 412 . 1 1 91 91 ALA N N 15 126.127 0.2 . 1 . . . . 91 ALA N . 17313 1 413 . 1 1 92 92 PRO C C 13 176.925 0.2 . 1 . . . . 92 PRO C . 17313 1 414 . 1 1 92 92 PRO CA C 13 63.489 0.2 . 1 . . . . 92 PRO CA . 17313 1 415 . 1 1 92 92 PRO CB C 13 32.093 0.2 . 1 . . . . 92 PRO CB . 17313 1 416 . 1 1 93 93 GLY H H 1 8.462 0.02 . 1 . . . . 93 GLY HN . 17313 1 417 . 1 1 93 93 GLY C C 13 173.779 0.2 . 1 . . . . 93 GLY C . 17313 1 418 . 1 1 93 93 GLY CA C 13 45.425 0.2 . 1 . . . . 93 GLY CA . 17313 1 419 . 1 1 93 93 GLY N N 15 110.306 0.2 . 1 . . . . 93 GLY N . 17313 1 420 . 1 1 94 94 SER H H 1 7.810 0.02 . 1 . . . . 94 SER HN . 17313 1 421 . 1 1 94 94 SER C C 13 173.755 0.2 . 1 . . . . 94 SER C . 17313 1 422 . 1 1 94 94 SER CA C 13 60.130 0.2 . 1 . . . . 94 SER CA . 17313 1 423 . 1 1 94 94 SER N N 15 120.996 0.2 . 1 . . . . 94 SER N . 17313 1 stop_ save_