data_28113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28113 _Entry.Title ; revmodN_ACC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-11 _Entry.Accession_date 2020-04-11 _Entry.Last_release_date 2020-04-13 _Entry.Original_release_date 2020-04-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sheng Liu . . . . 28113 2 'Mary Anne' Refaei . . . . 28113 3 Aaron Decker . . . . 28113 4 Jennifer Hinerman . M. . . 28113 5 Andrew Herr . B. . . 28113 6 Shuohui Liu . . . . 28113 7 Michael Howell . . . . 28113 8 Karin Musier-Forsyth . . . . 28113 9 Pearl Tsang . . . . 28113 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Cincinnati' . 28113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 28113 '15N chemical shifts' 68 28113 '1H chemical shifts' 68 28113 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 . . 2020-08-24 2020-04-11 update BMRB 'update entry citation' 28113 1 . . 2020-07-01 2020-04-11 original author 'original release' 28113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18696 revmodN 28113 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28113 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32611767 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Hairpin RNA-induced conformational change of a eukaryotic-specific lysyl-tRNA synthetase extension and role of adjacent anticodon-binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 12071 _Citation.Page_last 12085 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sheng Liu S. . . . 28113 1 2 Maryanne Refaei M. . . . 28113 1 3 Shuohui Liu S. . . . 28113 1 4 Aaron Decker A. . . . 28113 1 5 Jennifer Hinerman J. M. . . 28113 1 6 Andrew Herr A. B. . . 28113 1 7 Mike Howell M. . . . 28113 1 8 Karin Musier-Forsyth K. . . . 28113 1 9 Pearl Tsang P. . . . 28113 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lysyl-tRNA synthetase' 28113 1 'N-terminal extension' 28113 1 'RNA binding' 28113 1 'intrinsic disorder' 28113 1 'segmental protein labeling' 28113 1 'sortase A ligation' 28113 1 tRNAlys 28113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28113 _Assembly.ID 1 _Assembly.Name revmodN-ACC _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 19537.1 _Assembly.Enzyme_commission_number . _Assembly.Details 'LysRS N-terminal extension complexed with Lysyl tRNA acceptor stem' _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 'Lysyl tRNA acceptor stem' 1 $tRNAlys_Acceptor_stem A . no native no no . RNA 'RNA hairpin' 28113 1 2 revmodN 2 $revmodN_protein B . yes native no yes . 'RNA binding domain' 'N-terminal extension of human LysRS enzyme' 28113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tRNAlys_Acceptor_stem _Entity.Sf_category entity _Entity.Sf_framecode tRNAlys_Acceptor_stem _Entity.Entry_ID 28113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tRNAlys_Acceptor_stem _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCCCGGACAGGGUUCAAGUC CCUGUUCGGGCGCCA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the acceptor stem loop of human Lysyl tRNA isoacceptor 3' _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Lysyl tRNA Acceptor stem' _Entity.Mutation none _Entity.EC_number 'not applicable' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11225.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lysyl tRNA is aminoacylated for protein biosynthesis' 28113 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 . G . 28113 1 2 . C . 28113 1 3 . C . 28113 1 4 . C . 28113 1 5 . G . 28113 1 6 . G . 28113 1 7 . A . 28113 1 8 . C . 28113 1 9 . A . 28113 1 10 . G . 28113 1 11 . G . 28113 1 12 . G . 28113 1 13 . U . 28113 1 14 . U . 28113 1 15 . C . 28113 1 16 . A . 28113 1 17 . A . 28113 1 18 . G . 28113 1 19 . U . 28113 1 20 . C . 28113 1 21 . C . 28113 1 22 . C . 28113 1 23 . U . 28113 1 24 . G . 28113 1 25 . U . 28113 1 26 . U . 28113 1 27 . C . 28113 1 28 . G . 28113 1 29 . G . 28113 1 30 . G . 28113 1 31 . C . 28113 1 32 . G . 28113 1 33 . C . 28113 1 34 . C . 28113 1 35 . A . 28113 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 . G 1 1 28113 1 . C 2 2 28113 1 . C 3 3 28113 1 . C 4 4 28113 1 . G 5 5 28113 1 . G 6 6 28113 1 . A 7 7 28113 1 . C 8 8 28113 1 . A 9 9 28113 1 . G 10 10 28113 1 . G 11 11 28113 1 . G 12 12 28113 1 . U 13 13 28113 1 . U 14 14 28113 1 . C 15 15 28113 1 . A 16 16 28113 1 . A 17 17 28113 1 . G 18 18 28113 1 . U 19 19 28113 1 . C 20 20 28113 1 . C 21 21 28113 1 . C 22 22 28113 1 . U 23 23 28113 1 . G 24 24 28113 1 . U 25 25 28113 1 . U 26 26 28113 1 . C 27 27 28113 1 . G 28 28 28113 1 . G 29 29 28113 1 . G 30 30 28113 1 . C 31 31 28113 1 . G 32 32 28113 1 . C 33 33 28113 1 . C 34 34 28113 1 . A 35 35 28113 1 stop_ save_ save_revmodN_protein _Entity.Sf_category entity _Entity.Sf_framecode revmodN_protein _Entity.Entry_ID 28113 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name revmodN_protein _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 ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DNGVLPETGGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 70-76 are appended to this domain for enzyme ligation' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal extension of LysRS enzyme' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8311.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Non-specific RNA binding domain of LysRS' 28113 2 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 . 28113 2 2 . ALA . 28113 2 3 . ALA . 28113 2 4 . VAL . 28113 2 5 . GLN . 28113 2 6 . ALA . 28113 2 7 . ALA . 28113 2 8 . GLU . 28113 2 9 . VAL . 28113 2 10 . LYS . 28113 2 11 . VAL . 28113 2 12 . ASP . 28113 2 13 . GLY . 28113 2 14 . SER . 28113 2 15 . GLU . 28113 2 16 . PRO . 28113 2 17 . LYS . 28113 2 18 . LEU . 28113 2 19 . SER . 28113 2 20 . LYS . 28113 2 21 . ASN . 28113 2 22 . GLU . 28113 2 23 . LEU . 28113 2 24 . LYS . 28113 2 25 . ARG . 28113 2 26 . ARG . 28113 2 27 . LEU . 28113 2 28 . LYS . 28113 2 29 . ALA . 28113 2 30 . GLU . 28113 2 31 . LYS . 28113 2 32 . LYS . 28113 2 33 . VAL . 28113 2 34 . ALA . 28113 2 35 . GLU . 28113 2 36 . LYS . 28113 2 37 . GLU . 28113 2 38 . ALA . 28113 2 39 . LYS . 28113 2 40 . GLN . 28113 2 41 . LYS . 28113 2 42 . GLU . 28113 2 43 . LEU . 28113 2 44 . SER . 28113 2 45 . GLU . 28113 2 46 . LYS . 28113 2 47 . GLN . 28113 2 48 . LEU . 28113 2 49 . SER . 28113 2 50 . GLN . 28113 2 51 . ALA . 28113 2 52 . THR . 28113 2 53 . ALA . 28113 2 54 . ALA . 28113 2 55 . ALA . 28113 2 56 . THR . 28113 2 57 . ASN . 28113 2 58 . HIS . 28113 2 59 . THR . 28113 2 60 . THR . 28113 2 61 . ASP . 28113 2 62 . ASN . 28113 2 63 . GLY . 28113 2 64 . VAL . 28113 2 65 . LEU . 28113 2 66 . PRO . 28113 2 67 . GLU . 28113 2 68 . THR . 28113 2 69 . GLY . 28113 2 70 . GLY . 28113 2 71 . HIS . 28113 2 72 . HIS . 28113 2 73 . HIS . 28113 2 74 . HIS . 28113 2 75 . HIS . 28113 2 76 . HIS . 28113 2 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 28113 2 . ALA 2 2 28113 2 . ALA 3 3 28113 2 . VAL 4 4 28113 2 . GLN 5 5 28113 2 . ALA 6 6 28113 2 . ALA 7 7 28113 2 . GLU 8 8 28113 2 . VAL 9 9 28113 2 . LYS 10 10 28113 2 . VAL 11 11 28113 2 . ASP 12 12 28113 2 . GLY 13 13 28113 2 . SER 14 14 28113 2 . GLU 15 15 28113 2 . PRO 16 16 28113 2 . LYS 17 17 28113 2 . LEU 18 18 28113 2 . SER 19 19 28113 2 . LYS 20 20 28113 2 . ASN 21 21 28113 2 . GLU 22 22 28113 2 . LEU 23 23 28113 2 . LYS 24 24 28113 2 . ARG 25 25 28113 2 . ARG 26 26 28113 2 . LEU 27 27 28113 2 . LYS 28 28 28113 2 . ALA 29 29 28113 2 . GLU 30 30 28113 2 . LYS 31 31 28113 2 . LYS 32 32 28113 2 . VAL 33 33 28113 2 . ALA 34 34 28113 2 . GLU 35 35 28113 2 . LYS 36 36 28113 2 . GLU 37 37 28113 2 . ALA 38 38 28113 2 . LYS 39 39 28113 2 . GLN 40 40 28113 2 . LYS 41 41 28113 2 . GLU 42 42 28113 2 . LEU 43 43 28113 2 . SER 44 44 28113 2 . GLU 45 45 28113 2 . LYS 46 46 28113 2 . GLN 47 47 28113 2 . LEU 48 48 28113 2 . SER 49 49 28113 2 . GLN 50 50 28113 2 . ALA 51 51 28113 2 . THR 52 52 28113 2 . ALA 53 53 28113 2 . ALA 54 54 28113 2 . ALA 55 55 28113 2 . THR 56 56 28113 2 . ASN 57 57 28113 2 . HIS 58 58 28113 2 . THR 59 59 28113 2 . THR 60 60 28113 2 . ASP 61 61 28113 2 . ASN 62 62 28113 2 . GLY 63 63 28113 2 . VAL 64 64 28113 2 . LEU 65 65 28113 2 . PRO 66 66 28113 2 . GLU 67 67 28113 2 . THR 68 68 28113 2 . GLY 69 69 28113 2 . GLY 70 70 28113 2 . HIS 71 71 28113 2 . HIS 72 72 28113 2 . HIS 73 73 28113 2 . HIS 74 74 28113 2 . HIS 75 75 28113 2 . HIS 76 76 28113 2 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 28113 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $revmodN_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . KARS 'The revmodN protein corresponds to residues 1-69 of the human LysRS enzyme.' 28113 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 28113 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $revmodN_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pet30a . . . 28113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28113 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0 and 0.02% sodium azide for sample preservation' _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 'revmodN protein' '[U-99% 13C; U-99% 15N]' . . 2 $revmodN_protein . . 200 . . uM 20 . . . 28113 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM .05 . . . 28113 1 3 'sodium chloride' 'natural abundance' . . . . . . 15 . . mM .05 . . . 28113 1 4 'potassium chloride' 'natural abundance' . . . . . . 35 . . mM .05 . . . 28113 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 28113 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.07 0.01 M 28113 1 pH 6.0 . pH 28113 1 pressure 1 . atm 28113 1 temperature 298 0.2 K 28113 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 28113 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28113 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28113 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 28113 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 28113 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 600 . . . 28113 1 2 spectrometer_2 Varian INOVA . 800 . . . 28113 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 28113 _Experiment_list.ID 1 _Experiment_list.Details 'The resonance assignments of the revmodN protein in this complex were determined using the indicated 3D NMR experiments.' 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 . . . . . . . . . . . . . . . . 28113 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28113 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 28113 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'DSS was internal' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28113 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28113 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28113 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 28113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 'digital resolution' _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' . . . 28113 1 2 '2D 1H-13C HSQC' . . . 28113 1 3 '3D HNCA' . . . 28113 1 4 '3D HN(CO)CA' . . . 28113 1 5 '3D HNCO' . . . 28113 1 6 '3D HNCACB' . . . 28113 1 7 '3D CBCA(CO)NH' . . . 28113 1 8 '3D H(CCO)NH' . . . 28113 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 2 2 ALA C C 13 176.945 . . . . . . . . 2 A C . 28113 1 2 . 2 . 2 2 2 ALA CA C 13 52.416 . . . . . . . . 2 A CA . 28113 1 3 . 2 . 2 2 2 ALA CB C 13 19.344 . . . . . . . . 2 A CB . 28113 1 4 . 2 . 2 3 3 ALA H H 1 8.415 . . . . . . . . 3 A H . 28113 1 5 . 2 . 2 3 3 ALA C C 13 177.733 . . . . . . . . 3 A C . 28113 1 6 . 2 . 2 3 3 ALA CA C 13 52.445 . . . . . . . . 3 A CA . 28113 1 7 . 2 . 2 3 3 ALA CB C 13 19.293 . . . . . . . . 3 A CB . 28113 1 8 . 2 . 2 3 3 ALA N N 15 125.064 . . . . . . . . 3 A N . 28113 1 9 . 2 . 2 4 4 VAL H H 1 8.143 . . . . . . . . 4 V H . 28113 1 10 . 2 . 2 4 4 VAL C C 13 176.176 . . . . . . . . 4 V C . 28113 1 11 . 2 . 2 4 4 VAL CA C 13 62.29 . . . . . . . . 4 V CA . 28113 1 12 . 2 . 2 4 4 VAL CB C 13 32.932 . . . . . . . . 4 V CB . 28113 1 13 . 2 . 2 4 4 VAL N N 15 120.484 . . . . . . . . 4 V N . 28113 1 14 . 2 . 2 5 5 GLN H H 1 8.448 . . . . . . . . 5 Q H . 28113 1 15 . 2 . 2 5 5 GLN C C 13 175.552 . . . . . . . . 5 Q C . 28113 1 16 . 2 . 2 5 5 GLN CA C 13 55.668 . . . . . . . . 5 Q CA . 28113 1 17 . 2 . 2 5 5 GLN CB C 13 29.632 . . . . . . . . 5 Q CB . 28113 1 18 . 2 . 2 5 5 GLN N N 15 125.327 . . . . . . . . 5 Q N . 28113 1 19 . 2 . 2 6 6 ALA H H 1 8.384 . . . . . . . . 6 A H . 28113 1 20 . 2 . 2 6 6 ALA C C 13 177.353 . . . . . . . . 6 A C . 28113 1 21 . 2 . 2 6 6 ALA CA C 13 52.56 . . . . . . . . 6 A CA . 28113 1 22 . 2 . 2 6 6 ALA CB C 13 19.349 . . . . . . . . 6 A CB . 28113 1 23 . 2 . 2 6 6 ALA N N 15 126.945 . . . . . . . . 6 A N . 28113 1 24 . 2 . 2 7 7 ALA H H 1 8.269 . . . . . . . . 7 A H . 28113 1 25 . 2 . 2 7 7 ALA C C 13 177.676 . . . . . . . . 7 A C . 28113 1 26 . 2 . 2 7 7 ALA CA C 13 52.505 . . . . . . . . 7 A CA . 28113 1 27 . 2 . 2 7 7 ALA CB C 13 19.388 . . . . . . . . 7 A CB . 28113 1 28 . 2 . 2 7 7 ALA N N 15 123.982 . . . . . . . . 7 A N . 28113 1 29 . 2 . 2 8 8 GLU H H 1 8.329 . . . . . . . . 8 E H . 28113 1 30 . 2 . 2 8 8 GLU C C 13 176.302 . . . . . . . . 8 E C . 28113 1 31 . 2 . 2 8 8 GLU CA C 13 56.463 . . . . . . . . 8 E CA . 28113 1 32 . 2 . 2 8 8 GLU CB C 13 30.452 . . . . . . . . 8 E CB . 28113 1 33 . 2 . 2 8 8 GLU N N 15 120.938 . . . . . . . . 8 E N . 28113 1 34 . 2 . 2 9 9 VAL H H 1 8.17 . . . . . . . . 9 V H . 28113 1 35 . 2 . 2 9 9 VAL C C 13 175.849 . . . . . . . . 9 V C . 28113 1 36 . 2 . 2 9 9 VAL CA C 13 62.33 . . . . . . . . 9 V CA . 28113 1 37 . 2 . 2 9 9 VAL CB C 13 32.782 . . . . . . . . 9 V CB . 28113 1 38 . 2 . 2 9 9 VAL N N 15 123.136 . . . . . . . . 9 V N . 28113 1 39 . 2 . 2 10 10 LYS H H 1 8.447 . . . . . . . . 10 K H . 28113 1 40 . 2 . 2 10 10 LYS C C 13 176.454 . . . . . . . . 10 K C . 28113 1 41 . 2 . 2 10 10 LYS CA C 13 55.957 . . . . . . . . 10 K CA . 28113 1 42 . 2 . 2 10 10 LYS CB C 13 33.174 . . . . . . . . 10 K CB . 28113 1 43 . 2 . 2 10 10 LYS N N 15 127.12 . . . . . . . . 10 K N . 28113 1 44 . 2 . 2 11 11 VAL H H 1 8.337 . . . . . . . . 11 V H . 28113 1 45 . 2 . 2 11 11 VAL C C 13 175.974 . . . . . . . . 11 V C . 28113 1 46 . 2 . 2 11 11 VAL CA C 13 62.095 . . . . . . . . 11 V CA . 28113 1 47 . 2 . 2 11 11 VAL CB C 13 32.916 . . . . . . . . 11 V CB . 28113 1 48 . 2 . 2 11 11 VAL N N 15 122.994 . . . . . . . . 11 V N . 28113 1 49 . 2 . 2 12 12 ASP H H 1 8.506 . . . . . . . . 12 D H . 28113 1 50 . 2 . 2 12 12 ASP C C 13 176.794 . . . . . . . . 12 D C . 28113 1 51 . 2 . 2 12 12 ASP CA C 13 54.419 . . . . . . . . 12 D CA . 28113 1 52 . 2 . 2 12 12 ASP CB C 13 41.348 . . . . . . . . 12 D CB . 28113 1 53 . 2 . 2 12 12 ASP N N 15 125.111 . . . . . . . . 12 D N . 28113 1 54 . 2 . 2 13 13 GLY H H 1 8.459 . . . . . . . . 13 G H . 28113 1 55 . 2 . 2 13 13 GLY C C 13 174.413 . . . . . . . . 13 G C . 28113 1 56 . 2 . 2 13 13 GLY CA C 13 45.566 . . . . . . . . 13 G CA . 28113 1 57 . 2 . 2 13 13 GLY N N 15 110.867 . . . . . . . . 13 G N . 28113 1 58 . 2 . 2 14 14 SER H H 1 8.241 . . . . . . . . 14 S H . 28113 1 59 . 2 . 2 14 14 SER C C 13 174.262 . . . . . . . . 14 S C . 28113 1 60 . 2 . 2 14 14 SER CA C 13 58.536 . . . . . . . . 14 S CA . 28113 1 61 . 2 . 2 14 14 SER CB C 13 64.035 . . . . . . . . 14 S CB . 28113 1 62 . 2 . 2 14 14 SER N N 15 116.424 . . . . . . . . 14 S N . 28113 1 63 . 2 . 2 15 15 GLU H H 1 8.419 . . . . . . . . 15 E H . 28113 1 64 . 2 . 2 15 15 GLU C C 13 174.45 . . . . . . . . 15 E C . 28113 1 65 . 2 . 2 15 15 GLU CA C 13 54.658 . . . . . . . . 15 E CA . 28113 1 66 . 2 . 2 15 15 GLU CB C 13 29.627 . . . . . . . . 15 E CB . 28113 1 67 . 2 . 2 15 15 GLU N N 15 124.435 . . . . . . . . 15 E N . 28113 1 68 . 2 . 2 16 16 PRO C C 13 176.692 . . . . . . . . 16 P C . 28113 1 69 . 2 . 2 16 16 PRO CA C 13 63.224 . . . . . . . . 16 P CA . 28113 1 70 . 2 . 2 16 16 PRO CB C 13 32.13 . . . . . . . . 16 P CB . 28113 1 71 . 2 . 2 17 17 LYS H H 1 8.436 . . . . . . . . 17 K H . 28113 1 72 . 2 . 2 17 17 LYS C C 13 176.452 . . . . . . . . 17 K C . 28113 1 73 . 2 . 2 17 17 LYS CA C 13 56.037 . . . . . . . . 17 K CA . 28113 1 74 . 2 . 2 17 17 LYS CB C 13 32.95 . . . . . . . . 17 K CB . 28113 1 75 . 2 . 2 17 17 LYS N N 15 122.856 . . . . . . . . 17 K N . 28113 1 76 . 2 . 2 18 18 LEU H H 1 8.239 . . . . . . . . 18 L H . 28113 1 77 . 2 . 2 18 18 LEU C C 13 177.181 . . . . . . . . 18 L C . 28113 1 78 . 2 . 2 18 18 LEU CA C 13 54.634 . . . . . . . . 18 L CA . 28113 1 79 . 2 . 2 18 18 LEU CB C 13 43.212 . . . . . . . . 18 L CB . 28113 1 80 . 2 . 2 18 18 LEU N N 15 125.097 . . . . . . . . 18 L N . 28113 1 81 . 2 . 2 19 19 SER H H 1 8.671 . . . . . . . . 19 S H . 28113 1 82 . 2 . 2 19 19 SER C C 13 174.68 . . . . . . . . 19 S C . 28113 1 83 . 2 . 2 19 19 SER CA C 13 57.611 . . . . . . . . 19 S CA . 28113 1 84 . 2 . 2 19 19 SER N N 15 119.261 . . . . . . . . 19 S N . 28113 1 85 . 2 . 2 20 20 LYS H H 1 8.878 . . . . . . . . 20 K H . 28113 1 86 . 2 . 2 20 20 LYS C C 13 179.078 . . . . . . . . 20 K C . 28113 1 87 . 2 . 2 20 20 LYS CA C 13 59.542 . . . . . . . . 20 K CA . 28113 1 88 . 2 . 2 20 20 LYS N N 15 123.477 . . . . . . . . 20 K N . 28113 1 89 . 2 . 2 21 21 ASN H H 1 8.852 . . . . . . . . 21 N H . 28113 1 90 . 2 . 2 21 21 ASN C C 13 177.544 . . . . . . . . 21 N C . 28113 1 91 . 2 . 2 21 21 ASN CA C 13 55.629 . . . . . . . . 21 N CA . 28113 1 92 . 2 . 2 21 21 ASN N N 15 118.884 . . . . . . . . 21 N N . 28113 1 93 . 2 . 2 22 22 GLU H H 1 8.091 . . . . . . . . 22 E H . 28113 1 94 . 2 . 2 22 22 GLU C C 13 178.638 . . . . . . . . 22 E C . 28113 1 95 . 2 . 2 22 22 GLU CA C 13 58.861 . . . . . . . . 22 E CA . 28113 1 96 . 2 . 2 22 22 GLU CB C 13 30.057 . . . . . . . . 22 E CB . 28113 1 97 . 2 . 2 22 22 GLU N N 15 122.875 . . . . . . . . 22 E N . 28113 1 98 . 2 . 2 23 23 LEU H H 1 8.293 . . . . . . . . 23 L H . 28113 1 99 . 2 . 2 23 23 LEU C C 13 179.029 . . . . . . . . 23 L C . 28113 1 100 . 2 . 2 23 23 LEU CA C 13 57.995 . . . . . . . . 23 L CA . 28113 1 101 . 2 . 2 23 23 LEU N N 15 122.032 . . . . . . . . 23 L N . 28113 1 102 . 2 . 2 24 24 LYS H H 1 8.029 . . . . . . . . 24 K H . 28113 1 103 . 2 . 2 24 24 LYS C C 13 179.074 . . . . . . . . 24 K C . 28113 1 104 . 2 . 2 24 24 LYS CA C 13 59.574 . . . . . . . . 24 K CA . 28113 1 105 . 2 . 2 24 24 LYS N N 15 119.833 . . . . . . . . 24 K N . 28113 1 106 . 2 . 2 25 25 ARG H H 1 7.957 . . . . . . . . 25 R H . 28113 1 107 . 2 . 2 25 25 ARG C C 13 179.246 . . . . . . . . 25 R C . 28113 1 108 . 2 . 2 25 25 ARG CA C 13 59.526 . . . . . . . . 25 R CA . 28113 1 109 . 2 . 2 25 25 ARG N N 15 120.237 . . . . . . . . 25 R N . 28113 1 110 . 2 . 2 26 26 ARG H H 1 8.223 . . . . . . . . 26 R H . 28113 1 111 . 2 . 2 26 26 ARG C C 13 178.657 . . . . . . . . 26 R C . 28113 1 112 . 2 . 2 26 26 ARG CA C 13 58.982 . . . . . . . . 26 R CA . 28113 1 113 . 2 . 2 26 26 ARG N N 15 121.607 . . . . . . . . 26 R N . 28113 1 114 . 2 . 2 27 27 LEU H H 1 8.21 . . . . . . . . 27 L H . 28113 1 115 . 2 . 2 27 27 LEU C C 13 179.689 . . . . . . . . 27 L C . 28113 1 116 . 2 . 2 27 27 LEU CA C 13 57.524 . . . . . . . . 27 L CA . 28113 1 117 . 2 . 2 27 27 LEU N N 15 120.902 . . . . . . . . 27 L N . 28113 1 118 . 2 . 2 28 28 LYS H H 1 7.991 . . . . . . . . 28 K H . 28113 1 119 . 2 . 2 28 28 LYS C C 13 178.578 . . . . . . . . 28 K C . 28113 1 120 . 2 . 2 28 28 LYS CA C 13 59.114 . . . . . . . . 28 K CA . 28113 1 121 . 2 . 2 28 28 LYS N N 15 120.59 . . . . . . . . 28 K N . 28113 1 122 . 2 . 2 29 29 ALA H H 1 7.923 . . . . . . . . 29 A H . 28113 1 123 . 2 . 2 29 29 ALA C C 13 180.094 . . . . . . . . 29 A C . 28113 1 124 . 2 . 2 29 29 ALA CA C 13 54.7 . . . . . . . . 29 A CA . 28113 1 125 . 2 . 2 29 29 ALA N N 15 122.863 . . . . . . . . 29 A N . 28113 1 126 . 2 . 2 30 30 GLU H H 1 8.15 . . . . . . . . 30 E H . 28113 1 127 . 2 . 2 30 30 GLU C C 13 178.821 . . . . . . . . 30 E C . 28113 1 128 . 2 . 2 30 30 GLU CA C 13 58.646 . . . . . . . . 30 E CA . 28113 1 129 . 2 . 2 30 30 GLU CB C 13 29.623 . . . . . . . . 30 E CB . 28113 1 130 . 2 . 2 30 30 GLU N N 15 119.262 . . . . . . . . 30 E N . 28113 1 131 . 2 . 2 31 31 LYS H H 1 8.024 . . . . . . . . 31 K H . 28113 1 132 . 2 . 2 31 31 LYS C C 13 178.149 . . . . . . . . 31 K C . 28113 1 133 . 2 . 2 31 31 LYS CA C 13 58.515 . . . . . . . . 31 K CA . 28113 1 134 . 2 . 2 31 31 LYS N N 15 121.808 . . . . . . . . 31 K N . 28113 1 135 . 2 . 2 32 32 LYS H H 1 7.927 . . . . . . . . 32 K H . 28113 1 136 . 2 . 2 32 32 LYS C C 13 178.739 . . . . . . . . 32 K C . 28113 1 137 . 2 . 2 32 32 LYS CA C 13 58.355 . . . . . . . . 32 K CA . 28113 1 138 . 2 . 2 32 32 LYS CB C 13 32.516 . . . . . . . . 32 K CB . 28113 1 139 . 2 . 2 32 32 LYS N N 15 120.702 . . . . . . . . 32 K N . 28113 1 140 . 2 . 2 33 33 VAL H H 1 7.851 . . . . . . . . 33 V H . 28113 1 141 . 2 . 2 33 33 VAL C C 13 177.502 . . . . . . . . 33 V C . 28113 1 142 . 2 . 2 33 33 VAL CA C 13 65.19 . . . . . . . . 33 V CA . 28113 1 143 . 2 . 2 33 33 VAL N N 15 120.944 . . . . . . . . 33 V N . 28113 1 144 . 2 . 2 34 34 ALA H H 1 8.023 . . . . . . . . 34 A H . 28113 1 145 . 2 . 2 34 34 ALA C C 13 180.019 . . . . . . . . 34 A C . 28113 1 146 . 2 . 2 34 34 ALA CA C 13 54.276 . . . . . . . . 34 A CA . 28113 1 147 . 2 . 2 34 34 ALA N N 15 124.746 . . . . . . . . 34 A N . 28113 1 148 . 2 . 2 35 35 GLU H H 1 8.302 . . . . . . . . 35 E H . 28113 1 149 . 2 . 2 35 35 GLU C C 13 178.184 . . . . . . . . 35 E C . 28113 1 150 . 2 . 2 35 35 GLU CA C 13 58.354 . . . . . . . . 35 E CA . 28113 1 151 . 2 . 2 35 35 GLU CB C 13 29.686 . . . . . . . . 35 E CB . 28113 1 152 . 2 . 2 35 35 GLU N N 15 120.249 . . . . . . . . 35 E N . 28113 1 153 . 2 . 2 36 36 LYS H H 1 8.047 . . . . . . . . 36 K H . 28113 1 154 . 2 . 2 36 36 LYS C C 13 178.586 . . . . . . . . 36 K C . 28113 1 155 . 2 . 2 36 36 LYS CA C 13 58.623 . . . . . . . . 36 K CA . 28113 1 156 . 2 . 2 36 36 LYS CB C 13 32.525 . . . . . . . . 36 K CB . 28113 1 157 . 2 . 2 36 36 LYS N N 15 121.786 . . . . . . . . 36 K N . 28113 1 158 . 2 . 2 37 37 GLU H H 1 8.306 . . . . . . . . 37 E H . 28113 1 159 . 2 . 2 37 37 GLU C C 13 178.104 . . . . . . . . 37 E C . 28113 1 160 . 2 . 2 37 37 GLU CA C 13 58.301 . . . . . . . . 37 E CA . 28113 1 161 . 2 . 2 37 37 GLU CB C 13 29.727 . . . . . . . . 37 E CB . 28113 1 162 . 2 . 2 37 37 GLU N N 15 120.842 . . . . . . . . 37 E N . 28113 1 163 . 2 . 2 38 38 ALA H H 1 8.118 . . . . . . . . 38 A H . 28113 1 164 . 2 . 2 38 38 ALA C C 13 179.529 . . . . . . . . 38 A C . 28113 1 165 . 2 . 2 38 38 ALA CA C 13 54.178 . . . . . . . . 38 A CA . 28113 1 166 . 2 . 2 38 38 ALA CB C 13 18.431 . . . . . . . . 38 A CB . 28113 1 167 . 2 . 2 38 38 ALA N N 15 123.915 . . . . . . . . 38 A N . 28113 1 168 . 2 . 2 39 39 LYS H H 1 8.075 . . . . . . . . 39 K H . 28113 1 169 . 2 . 2 39 39 LYS C C 13 178.06 . . . . . . . . 39 K C . 28113 1 170 . 2 . 2 39 39 LYS CA C 13 57.736 . . . . . . . . 39 K CA . 28113 1 171 . 2 . 2 39 39 LYS CB C 13 32.519 . . . . . . . . 39 K CB . 28113 1 172 . 2 . 2 39 39 LYS N N 15 120.112 . . . . . . . . 39 K N . 28113 1 173 . 2 . 2 40 40 GLN H H 1 8.135 . . . . . . . . 40 Q H . 28113 1 174 . 2 . 2 40 40 GLN C C 13 177.562 . . . . . . . . 40 Q C . 28113 1 175 . 2 . 2 40 40 GLN CA C 13 57.522 . . . . . . . . 40 Q CA . 28113 1 176 . 2 . 2 40 40 GLN CB C 13 28.764 . . . . . . . . 40 Q CB . 28113 1 177 . 2 . 2 40 40 GLN N N 15 120.413 . . . . . . . . 40 Q N . 28113 1 178 . 2 . 2 41 41 LYS H H 1 8.131 . . . . . . . . 41 K H . 28113 1 179 . 2 . 2 41 41 LYS C C 13 177.675 . . . . . . . . 41 K C . 28113 1 180 . 2 . 2 41 41 LYS CA C 13 58.113 . . . . . . . . 41 K CA . 28113 1 181 . 2 . 2 41 41 LYS CB C 13 32.814 . . . . . . . . 41 K CB . 28113 1 182 . 2 . 2 41 41 LYS N N 15 122.139 . . . . . . . . 41 K N . 28113 1 183 . 2 . 2 42 42 GLU H H 1 8.135 . . . . . . . . 42 E H . 28113 1 184 . 2 . 2 42 42 GLU C C 13 177.716 . . . . . . . . 42 E C . 28113 1 185 . 2 . 2 42 42 GLU CA C 13 57.879 . . . . . . . . 42 E CA . 28113 1 186 . 2 . 2 42 42 GLU CB C 13 30.048 . . . . . . . . 42 E CB . 28113 1 187 . 2 . 2 42 42 GLU N N 15 121.161 . . . . . . . . 42 E N . 28113 1 188 . 2 . 2 43 43 LEU H H 1 8.131 . . . . . . . . 43 L H . 28113 1 189 . 2 . 2 43 43 LEU C C 13 178.458 . . . . . . . . 43 L C . 28113 1 190 . 2 . 2 43 43 LEU CA C 13 56.418 . . . . . . . . 43 L CA . 28113 1 191 . 2 . 2 43 43 LEU CB C 13 42.16 . . . . . . . . 43 L CB . 28113 1 192 . 2 . 2 43 43 LEU N N 15 121.967 . . . . . . . . 43 L N . 28113 1 193 . 2 . 2 44 44 SER H H 1 8.237 . . . . . . . . 44 S H . 28113 1 194 . 2 . 2 44 44 SER C C 13 175.615 . . . . . . . . 44 S C . 28113 1 195 . 2 . 2 44 44 SER CA C 13 59.711 . . . . . . . . 44 S CA . 28113 1 196 . 2 . 2 44 44 SER CB C 13 63.683 . . . . . . . . 44 S CB . 28113 1 197 . 2 . 2 44 44 SER N N 15 116.478 . . . . . . . . 44 S N . 28113 1 198 . 2 . 2 45 45 GLU H H 1 8.275 . . . . . . . . 45 E H . 28113 1 199 . 2 . 2 45 45 GLU C C 13 177.668 . . . . . . . . 45 E C . 28113 1 200 . 2 . 2 45 45 GLU CA C 13 57.849 . . . . . . . . 45 E CA . 28113 1 201 . 2 . 2 45 45 GLU CB C 13 29.859 . . . . . . . . 45 E CB . 28113 1 202 . 2 . 2 45 45 GLU N N 15 122.59 . . . . . . . . 45 E N . 28113 1 203 . 2 . 2 46 46 LYS H H 1 8.106 . . . . . . . . 46 K H . 28113 1 204 . 2 . 2 46 46 LYS C C 13 177.428 . . . . . . . . 46 K C . 28113 1 205 . 2 . 2 46 46 LYS CA C 13 57.48 . . . . . . . . 46 K CA . 28113 1 206 . 2 . 2 46 46 LYS CB C 13 32.769 . . . . . . . . 46 K CB . 28113 1 207 . 2 . 2 46 46 LYS N N 15 121.486 . . . . . . . . 46 K N . 28113 1 208 . 2 . 2 47 47 GLN H H 1 8.182 . . . . . . . . 47 Q H . 28113 1 209 . 2 . 2 47 47 GLN C C 13 176.905 . . . . . . . . 47 Q C . 28113 1 210 . 2 . 2 47 47 GLN CA C 13 56.743 . . . . . . . . 47 Q CA . 28113 1 211 . 2 . 2 47 47 GLN CB C 13 29.1 . . . . . . . . 47 Q CB . 28113 1 212 . 2 . 2 47 47 GLN N N 15 120.694 . . . . . . . . 47 Q N . 28113 1 213 . 2 . 2 48 48 LEU H H 1 8.192 . . . . . . . . 48 L H . 28113 1 214 . 2 . 2 48 48 LEU C C 13 178.052 . . . . . . . . 48 L C . 28113 1 215 . 2 . 2 48 48 LEU CA C 13 55.973 . . . . . . . . 48 L CA . 28113 1 216 . 2 . 2 48 48 LEU CB C 13 42.282 . . . . . . . . 48 L CB . 28113 1 217 . 2 . 2 48 48 LEU N N 15 122.955 . . . . . . . . 48 L N . 28113 1 218 . 2 . 2 49 49 SER H H 1 8.191 . . . . . . . . 49 S H . 28113 1 219 . 2 . 2 49 49 SER C C 13 174.984 . . . . . . . . 49 S C . 28113 1 220 . 2 . 2 49 49 SER CA C 13 58.962 . . . . . . . . 49 S CA . 28113 1 221 . 2 . 2 49 49 SER CB C 13 63.667 . . . . . . . . 49 S CB . 28113 1 222 . 2 . 2 49 49 SER N N 15 116.423 . . . . . . . . 49 S N . 28113 1 223 . 2 . 2 50 50 GLN H H 1 8.256 . . . . . . . . 50 Q H . 28113 1 224 . 2 . 2 50 50 GLN C C 13 176.081 . . . . . . . . 50 Q C . 28113 1 225 . 2 . 2 50 50 GLN CA C 13 56.221 . . . . . . . . 50 Q CA . 28113 1 226 . 2 . 2 50 50 GLN CB C 13 29.37 . . . . . . . . 50 Q CB . 28113 1 227 . 2 . 2 50 50 GLN N N 15 122.436 . . . . . . . . 50 Q N . 28113 1 228 . 2 . 2 51 51 ALA H H 1 8.24 . . . . . . . . 51 A H . 28113 1 229 . 2 . 2 51 51 ALA C C 13 178.24 . . . . . . . . 51 A C . 28113 1 230 . 2 . 2 51 51 ALA CA C 13 53.106 . . . . . . . . 51 A CA . 28113 1 231 . 2 . 2 51 51 ALA CB C 13 19.2 . . . . . . . . 51 A CB . 28113 1 232 . 2 . 2 51 51 ALA N N 15 125.203 . . . . . . . . 51 A N . 28113 1 233 . 2 . 2 52 52 THR H H 1 8.054 . . . . . . . . 52 T H . 28113 1 234 . 2 . 2 52 52 THR C C 13 174.519 . . . . . . . . 52 T C . 28113 1 235 . 2 . 2 52 52 THR CA C 13 62.109 . . . . . . . . 52 T CA . 28113 1 236 . 2 . 2 52 52 THR CB C 13 69.811 . . . . . . . . 52 T CB . 28113 1 237 . 2 . 2 52 52 THR N N 15 113.812 . . . . . . . . 52 T N . 28113 1 238 . 2 . 2 53 53 ALA H H 1 8.209 . . . . . . . . 53 A H . 28113 1 239 . 2 . 2 53 53 ALA C C 13 177.436 . . . . . . . . 53 A C . 28113 1 240 . 2 . 2 53 53 ALA CA C 13 52.692 . . . . . . . . 53 A CA . 28113 1 241 . 2 . 2 53 53 ALA CB C 13 19.311 . . . . . . . . 53 A CB . 28113 1 242 . 2 . 2 53 53 ALA N N 15 127.086 . . . . . . . . 53 A N . 28113 1 243 . 2 . 2 54 54 ALA H H 1 8.23 . . . . . . . . 54 A H . 28113 1 244 . 2 . 2 54 54 ALA C C 13 177.854 . . . . . . . . 54 A C . 28113 1 245 . 2 . 2 54 54 ALA CA C 13 52.722 . . . . . . . . 54 A CA . 28113 1 246 . 2 . 2 54 54 ALA CB C 13 19.117 . . . . . . . . 54 A CB . 28113 1 247 . 2 . 2 54 54 ALA N N 15 124.18 . . . . . . . . 54 A N . 28113 1 248 . 2 . 2 55 55 ALA H H 1 8.172 . . . . . . . . 55 A H . 28113 1 249 . 2 . 2 55 55 ALA C C 13 178.116 . . . . . . . . 55 A C . 28113 1 250 . 2 . 2 55 55 ALA CA C 13 52.731 . . . . . . . . 55 A CA . 28113 1 251 . 2 . 2 55 55 ALA CB C 13 19.264 . . . . . . . . 55 A CB . 28113 1 252 . 2 . 2 55 55 ALA N N 15 123.47 . . . . . . . . 55 A N . 28113 1 253 . 2 . 2 56 56 THR H H 1 8.041 . . . . . . . . 56 T H . 28113 1 254 . 2 . 2 56 56 THR C C 13 174.284 . . . . . . . . 56 T C . 28113 1 255 . 2 . 2 56 56 THR CA C 13 61.872 . . . . . . . . 56 T CA . 28113 1 256 . 2 . 2 56 56 THR CB C 13 69.826 . . . . . . . . 56 T CB . 28113 1 257 . 2 . 2 56 56 THR N N 15 113.145 . . . . . . . . 56 T N . 28113 1 258 . 2 . 2 57 57 ASN H H 1 8.33 . . . . . . . . 57 N H . 28113 1 259 . 2 . 2 57 57 ASN C C 13 174.871 . . . . . . . . 57 N C . 28113 1 260 . 2 . 2 57 57 ASN CA C 13 53.24 . . . . . . . . 57 N CA . 28113 1 261 . 2 . 2 57 57 ASN CB C 13 38.896 . . . . . . . . 57 N CB . 28113 1 262 . 2 . 2 57 57 ASN N N 15 121.29 . . . . . . . . 57 N N . 28113 1 263 . 2 . 2 58 58 HIS H H 1 8.483 . . . . . . . . 58 H H . 28113 1 264 . 2 . 2 58 58 HIS C C 13 174.682 . . . . . . . . 58 H C . 28113 1 265 . 2 . 2 58 58 HIS CA C 13 55.55 . . . . . . . . 58 H CA . 28113 1 266 . 2 . 2 58 58 HIS CB C 13 29.251 . . . . . . . . 58 H CB . 28113 1 267 . 2 . 2 58 58 HIS N N 15 119.997 . . . . . . . . 58 H N . 28113 1 268 . 2 . 2 59 59 THR H H 1 8.32 . . . . . . . . 59 T H . 28113 1 269 . 2 . 2 59 59 THR C C 13 174.834 . . . . . . . . 59 T C . 28113 1 270 . 2 . 2 59 59 THR CA C 13 62.342 . . . . . . . . 59 T CA . 28113 1 271 . 2 . 2 59 59 THR CB C 13 69.845 . . . . . . . . 59 T CB . 28113 1 272 . 2 . 2 59 59 THR N N 15 116.331 . . . . . . . . 59 T N . 28113 1 273 . 2 . 2 60 60 THR H H 1 8.182 . . . . . . . . 60 T H . 28113 1 274 . 2 . 2 60 60 THR C C 13 174.124 . . . . . . . . 60 T C . 28113 1 275 . 2 . 2 60 60 THR CA C 13 61.567 . . . . . . . . 60 T CA . 28113 1 276 . 2 . 2 60 60 THR CB C 13 69.86 . . . . . . . . 60 T CB . 28113 1 277 . 2 . 2 60 60 THR N N 15 115.681 . . . . . . . . 60 T N . 28113 1 278 . 2 . 2 61 61 ASP H H 1 8.064 . . . . . . . . 61 D H . 28113 1 279 . 2 . 2 61 61 ASP C C 13 175.998 . . . . . . . . 61 D C . 28113 1 280 . 2 . 2 61 61 ASP CA C 13 54.243 . . . . . . . . 61 D CA . 28113 1 281 . 2 . 2 61 61 ASP CB C 13 41.213 . . . . . . . . 61 D CB . 28113 1 282 . 2 . 2 61 61 ASP N N 15 126.586 . . . . . . . . 61 D N . 28113 1 283 . 2 . 2 62 62 ASN H H 1 7.995 . . . . . . . . 62 N H . 28113 1 284 . 2 . 2 62 62 ASN C C 13 176.126 . . . . . . . . 62 N C . 28113 1 285 . 2 . 2 62 62 ASN CA C 13 54.899 . . . . . . . . 62 N CA . 28113 1 286 . 2 . 2 62 62 ASN CB C 13 41.088 . . . . . . . . 62 N CB . 28113 1 287 . 2 . 2 62 62 ASN N N 15 124.603 . . . . . . . . 62 N N . 28113 1 288 . 2 . 2 63 63 GLY H H 1 8.378 . . . . . . . . 63 G H . 28113 1 289 . 2 . 2 63 63 GLY C C 13 174.026 . . . . . . . . 63 G C . 28113 1 290 . 2 . 2 63 63 GLY CA C 13 45.578 . . . . . . . . 63 G CA . 28113 1 291 . 2 . 2 63 63 GLY N N 15 109.705 . . . . . . . . 63 G N . 28113 1 292 . 2 . 2 64 64 VAL H H 1 8.082 . . . . . . . . 64 V H . 28113 1 293 . 2 . 2 64 64 VAL C C 13 176.18 . . . . . . . . 64 V C . 28113 1 294 . 2 . 2 64 64 VAL CA C 13 62.125 . . . . . . . . 64 V CA . 28113 1 295 . 2 . 2 64 64 VAL CB C 13 32.915 . . . . . . . . 64 V CB . 28113 1 296 . 2 . 2 64 64 VAL N N 15 120.102 . . . . . . . . 64 V N . 28113 1 297 . 2 . 2 65 65 LEU H H 1 8.412 . . . . . . . . 65 L H . 28113 1 298 . 2 . 2 65 65 LEU C C 13 175.242 . . . . . . . . 65 L C . 28113 1 299 . 2 . 2 65 65 LEU CA C 13 52.982 . . . . . . . . 65 L CA . 28113 1 300 . 2 . 2 65 65 LEU CB C 13 41.757 . . . . . . . . 65 L CB . 28113 1 301 . 2 . 2 65 65 LEU N N 15 128.549 . . . . . . . . 65 L N . 28113 1 302 . 2 . 2 66 66 PRO C C 13 176.975 . . . . . . . . 66 P C . 28113 1 303 . 2 . 2 66 66 PRO CA C 13 63.073 . . . . . . . . 66 P CA . 28113 1 304 . 2 . 2 66 66 PRO CB C 13 32.152 . . . . . . . . 66 P CB . 28113 1 305 . 2 . 2 67 67 GLU H H 1 8.547 . . . . . . . . 67 E H . 28113 1 306 . 2 . 2 67 67 GLU C C 13 176.913 . . . . . . . . 67 E C . 28113 1 307 . 2 . 2 67 67 GLU CA C 13 56.609 . . . . . . . . 67 E CA . 28113 1 308 . 2 . 2 67 67 GLU CB C 13 30.228 . . . . . . . . 67 E CB . 28113 1 309 . 2 . 2 67 67 GLU N N 15 121.892 . . . . . . . . 67 E N . 28113 1 310 . 2 . 2 68 68 THR H H 1 8.229 . . . . . . . . 68 T H . 28113 1 311 . 2 . 2 68 68 THR C C 13 175.253 . . . . . . . . 68 T C . 28113 1 312 . 2 . 2 68 68 THR CA C 13 61.83 . . . . . . . . 68 T CA . 28113 1 313 . 2 . 2 68 68 THR CB C 13 69.988 . . . . . . . . 68 T CB . 28113 1 314 . 2 . 2 68 68 THR N N 15 115.433 . . . . . . . . 68 T N . 28113 1 315 . 2 . 2 69 69 GLY H H 1 8.477 . . . . . . . . 69 G H . 28113 1 316 . 2 . 2 69 69 GLY C C 13 174.591 . . . . . . . . 69 G C . 28113 1 317 . 2 . 2 69 69 GLY CA C 13 45.428 . . . . . . . . 69 G CA . 28113 1 318 . 2 . 2 69 69 GLY N N 15 111.786 . . . . . . . . 69 G N . 28113 1 319 . 2 . 2 70 70 GLY H H 1 8.304 . . . . . . . . 70 G H . 28113 1 320 . 2 . 2 70 70 GLY C C 13 173.919 . . . . . . . . 70 G C . 28113 1 321 . 2 . 2 70 70 GLY CA C 13 45.191 . . . . . . . . 70 G CA . 28113 1 322 . 2 . 2 70 70 GLY N N 15 109.075 . . . . . . . . 70 G N . 28113 1 323 . 2 . 2 71 71 HIS H H 1 8.421 . . . . . . . . 71 H H . 28113 1 324 . 2 . 2 71 71 HIS CA C 13 55.36 . . . . . . . . 71 H CA . 28113 1 325 . 2 . 2 71 71 HIS CB C 13 29.2 . . . . . . . . 71 H CB . 28113 1 326 . 2 . 2 71 71 HIS N N 15 118.597 . . . . . . . . 71 H N . 28113 1 327 . 2 . 2 75 75 HIS C C 13 173.688 . . . . . . . . 75 H C . 28113 1 328 . 2 . 2 75 75 HIS CA C 13 55.592 . . . . . . . . 75 H CA . 28113 1 329 . 2 . 2 75 75 HIS CB C 13 29.409 . . . . . . . . 75 H CB . 28113 1 330 . 2 . 2 76 76 HIS H H 1 8.363 . . . . . . . . 76 H H . 28113 1 331 . 2 . 2 76 76 HIS C C 13 178.915 . . . . . . . . 76 H C . 28113 1 332 . 2 . 2 76 76 HIS CA C 13 57.032 . . . . . . . . 76 H CA . 28113 1 333 . 2 . 2 76 76 HIS CB C 13 29.751 . . . . . . . . 76 H CB . 28113 1 334 . 2 . 2 76 76 HIS N N 15 125.918 . . . . . . . . 76 H N . 28113 1 stop_ save_