data_27347 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27347 _Entry.Title ; Babckbone 1HN, 13C, and 15N Chemical Shift Assignments of the ATAD2B Bromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-21 _Entry.Accession_date 2017-12-21 _Entry.Last_release_date 2017-12-22 _Entry.Original_release_date 2017-12-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Complete backbone (and Cb) assignments of the ATAD2B bromodomain' _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 Gabriel Cornilescu . . . . 27347 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27347 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 27347 '15N chemical shifts' 118 27347 '1H chemical shifts' 118 27347 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-22 . original BMRB . 27347 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27347 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33084328 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 63 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4804 _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 12799 _Citation.Page_last 12813 _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 Jonathan Lloyd J. T. . . 27347 1 2 Kyle McLaughlin K. . . . 27347 1 3 Mulu Lubula M. Y. . . 27347 1 4 Jamie Gay J. C. . . 27347 1 5 Andrea Dest A. . . . 27347 1 6 Cong Gao C. . . . 27347 1 7 Margaret Phillips M. . . . 27347 1 8 Marco Tonelli M. . . . 27347 1 9 Gabriel Cornilescu G. . . . 27347 1 10 Matthew Marunde M. R. . . 27347 1 11 Chiara Evans C. M. . . 27347 1 12 Samuel Boyson S. P. . . 27347 1 13 Samuel Carlson S. . . . 27347 1 14 Michael-Christopher Keogh M. C. . . 27347 1 15 John Markley J. L. . . 27347 1 16 Seth Frietze S. . . . 27347 1 17 Karen Glass K. C. . . 27347 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Acetyllysine 27347 1 bromodomain 27347 1 'chromatin reader domain' 27347 1 epigenetics 27347 1 histone 27347 1 'post-translational modification' 27347 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27347 _Assembly.ID 1 _Assembly.Name 'ATAD2B bromodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 15800 _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 'ATAD2B bromodomain' 1 $ATAD2B_bromodomain A . yes native no no . . . 27347 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3LXJ . . X-ray 2.33 'Structure of the ATAD2B bromodomain' . 27347 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATAD2B_bromodomain _Entity.Sf_category entity _Entity.Sf_framecode ATAD2B_bromodomain _Entity.Entry_ID 27347 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ATAD2B_bromodomain _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 ; GPLEDQEENTLRELRLFLRD VTKRLATDKRFNIFSKPVDI EEVSDYLEVIKEPMDLSTVI TKIDKHNYLTAKDFLKDIDL ICSNALEYNPDKDPGDKIIR HRACTLKDTAHAIIAAELDP EFNKLCEEIKEARIKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes UNP Q9ULI0 . ATD2B_HUMAN . . . . . . . . . . . . . . 27347 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Acetyl lysine reader domain' 27347 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 . GLY . 27347 1 2 . PRO . 27347 1 3 . LEU . 27347 1 4 . GLU . 27347 1 5 . ASP . 27347 1 6 . GLN . 27347 1 7 . GLU . 27347 1 8 . GLU . 27347 1 9 . ASN . 27347 1 10 . THR . 27347 1 11 . LEU . 27347 1 12 . ARG . 27347 1 13 . GLU . 27347 1 14 . LEU . 27347 1 15 . ARG . 27347 1 16 . LEU . 27347 1 17 . PHE . 27347 1 18 . LEU . 27347 1 19 . ARG . 27347 1 20 . ASP . 27347 1 21 . VAL . 27347 1 22 . THR . 27347 1 23 . LYS . 27347 1 24 . ARG . 27347 1 25 . LEU . 27347 1 26 . ALA . 27347 1 27 . THR . 27347 1 28 . ASP . 27347 1 29 . LYS . 27347 1 30 . ARG . 27347 1 31 . PHE . 27347 1 32 . ASN . 27347 1 33 . ILE . 27347 1 34 . PHE . 27347 1 35 . SER . 27347 1 36 . LYS . 27347 1 37 . PRO . 27347 1 38 . VAL . 27347 1 39 . ASP . 27347 1 40 . ILE . 27347 1 41 . GLU . 27347 1 42 . GLU . 27347 1 43 . VAL . 27347 1 44 . SER . 27347 1 45 . ASP . 27347 1 46 . TYR . 27347 1 47 . LEU . 27347 1 48 . GLU . 27347 1 49 . VAL . 27347 1 50 . ILE . 27347 1 51 . LYS . 27347 1 52 . GLU . 27347 1 53 . PRO . 27347 1 54 . MET . 27347 1 55 . ASP . 27347 1 56 . LEU . 27347 1 57 . SER . 27347 1 58 . THR . 27347 1 59 . VAL . 27347 1 60 . ILE . 27347 1 61 . THR . 27347 1 62 . LYS . 27347 1 63 . ILE . 27347 1 64 . ASP . 27347 1 65 . LYS . 27347 1 66 . HIS . 27347 1 67 . ASN . 27347 1 68 . TYR . 27347 1 69 . LEU . 27347 1 70 . THR . 27347 1 71 . ALA . 27347 1 72 . LYS . 27347 1 73 . ASP . 27347 1 74 . PHE . 27347 1 75 . LEU . 27347 1 76 . LYS . 27347 1 77 . ASP . 27347 1 78 . ILE . 27347 1 79 . ASP . 27347 1 80 . LEU . 27347 1 81 . ILE . 27347 1 82 . CYS . 27347 1 83 . SER . 27347 1 84 . ASN . 27347 1 85 . ALA . 27347 1 86 . LEU . 27347 1 87 . GLU . 27347 1 88 . TYR . 27347 1 89 . ASN . 27347 1 90 . PRO . 27347 1 91 . ASP . 27347 1 92 . LYS . 27347 1 93 . ASP . 27347 1 94 . PRO . 27347 1 95 . GLY . 27347 1 96 . ASP . 27347 1 97 . LYS . 27347 1 98 . ILE . 27347 1 99 . ILE . 27347 1 100 . ARG . 27347 1 101 . HIS . 27347 1 102 . ARG . 27347 1 103 . ALA . 27347 1 104 . CYS . 27347 1 105 . THR . 27347 1 106 . LEU . 27347 1 107 . LYS . 27347 1 108 . ASP . 27347 1 109 . THR . 27347 1 110 . ALA . 27347 1 111 . HIS . 27347 1 112 . ALA . 27347 1 113 . ILE . 27347 1 114 . ILE . 27347 1 115 . ALA . 27347 1 116 . ALA . 27347 1 117 . GLU . 27347 1 118 . LEU . 27347 1 119 . ASP . 27347 1 120 . PRO . 27347 1 121 . GLU . 27347 1 122 . PHE . 27347 1 123 . ASN . 27347 1 124 . LYS . 27347 1 125 . LEU . 27347 1 126 . CYS . 27347 1 127 . GLU . 27347 1 128 . GLU . 27347 1 129 . ILE . 27347 1 130 . LYS . 27347 1 131 . GLU . 27347 1 132 . ALA . 27347 1 133 . ARG . 27347 1 134 . ILE . 27347 1 135 . LYS . 27347 1 136 . ARG . 27347 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 . GLY 1 1 27347 1 . PRO 2 2 27347 1 . LEU 3 3 27347 1 . GLU 4 4 27347 1 . ASP 5 5 27347 1 . GLN 6 6 27347 1 . GLU 7 7 27347 1 . GLU 8 8 27347 1 . ASN 9 9 27347 1 . THR 10 10 27347 1 . LEU 11 11 27347 1 . ARG 12 12 27347 1 . GLU 13 13 27347 1 . LEU 14 14 27347 1 . ARG 15 15 27347 1 . LEU 16 16 27347 1 . PHE 17 17 27347 1 . LEU 18 18 27347 1 . ARG 19 19 27347 1 . ASP 20 20 27347 1 . VAL 21 21 27347 1 . THR 22 22 27347 1 . LYS 23 23 27347 1 . ARG 24 24 27347 1 . LEU 25 25 27347 1 . ALA 26 26 27347 1 . THR 27 27 27347 1 . ASP 28 28 27347 1 . LYS 29 29 27347 1 . ARG 30 30 27347 1 . PHE 31 31 27347 1 . ASN 32 32 27347 1 . ILE 33 33 27347 1 . PHE 34 34 27347 1 . SER 35 35 27347 1 . LYS 36 36 27347 1 . PRO 37 37 27347 1 . VAL 38 38 27347 1 . ASP 39 39 27347 1 . ILE 40 40 27347 1 . GLU 41 41 27347 1 . GLU 42 42 27347 1 . VAL 43 43 27347 1 . SER 44 44 27347 1 . ASP 45 45 27347 1 . TYR 46 46 27347 1 . LEU 47 47 27347 1 . GLU 48 48 27347 1 . VAL 49 49 27347 1 . ILE 50 50 27347 1 . LYS 51 51 27347 1 . GLU 52 52 27347 1 . PRO 53 53 27347 1 . MET 54 54 27347 1 . ASP 55 55 27347 1 . LEU 56 56 27347 1 . SER 57 57 27347 1 . THR 58 58 27347 1 . VAL 59 59 27347 1 . ILE 60 60 27347 1 . THR 61 61 27347 1 . LYS 62 62 27347 1 . ILE 63 63 27347 1 . ASP 64 64 27347 1 . LYS 65 65 27347 1 . HIS 66 66 27347 1 . ASN 67 67 27347 1 . TYR 68 68 27347 1 . LEU 69 69 27347 1 . THR 70 70 27347 1 . ALA 71 71 27347 1 . LYS 72 72 27347 1 . ASP 73 73 27347 1 . PHE 74 74 27347 1 . LEU 75 75 27347 1 . LYS 76 76 27347 1 . ASP 77 77 27347 1 . ILE 78 78 27347 1 . ASP 79 79 27347 1 . LEU 80 80 27347 1 . ILE 81 81 27347 1 . CYS 82 82 27347 1 . SER 83 83 27347 1 . ASN 84 84 27347 1 . ALA 85 85 27347 1 . LEU 86 86 27347 1 . GLU 87 87 27347 1 . TYR 88 88 27347 1 . ASN 89 89 27347 1 . PRO 90 90 27347 1 . ASP 91 91 27347 1 . LYS 92 92 27347 1 . ASP 93 93 27347 1 . PRO 94 94 27347 1 . GLY 95 95 27347 1 . ASP 96 96 27347 1 . LYS 97 97 27347 1 . ILE 98 98 27347 1 . ILE 99 99 27347 1 . ARG 100 100 27347 1 . HIS 101 101 27347 1 . ARG 102 102 27347 1 . ALA 103 103 27347 1 . CYS 104 104 27347 1 . THR 105 105 27347 1 . LEU 106 106 27347 1 . LYS 107 107 27347 1 . ASP 108 108 27347 1 . THR 109 109 27347 1 . ALA 110 110 27347 1 . HIS 111 111 27347 1 . ALA 112 112 27347 1 . ILE 113 113 27347 1 . ILE 114 114 27347 1 . ALA 115 115 27347 1 . ALA 116 116 27347 1 . GLU 117 117 27347 1 . LEU 118 118 27347 1 . ASP 119 119 27347 1 . PRO 120 120 27347 1 . GLU 121 121 27347 1 . PHE 122 122 27347 1 . ASN 123 123 27347 1 . LYS 124 124 27347 1 . LEU 125 125 27347 1 . CYS 126 126 27347 1 . GLU 127 127 27347 1 . GLU 128 128 27347 1 . ILE 129 129 27347 1 . LYS 130 130 27347 1 . GLU 131 131 27347 1 . ALA 132 132 27347 1 . ARG 133 133 27347 1 . ILE 134 134 27347 1 . LYS 135 135 27347 1 . ARG 136 136 27347 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 27347 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ATAD2B_bromodomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27347 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 27347 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ATAD2B_bromodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pDEST15 . . . 27347 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27347 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'ATAD2B bromodomain' '[U-99% 13C; U-99% 15N]' . . 1 $ATAD2B_bromodomain . . 1 . . mM . . . . 27347 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 27347 _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' 0.15 . M 27347 1 pH 6.8 . pH 27347 1 pressure 1 . atm 27347 1 temperature 273 . K 27347 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27347 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27347 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27347 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 27347 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27347 _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 Agilent INOVA . 600 . . . 27347 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 27347 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27347 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27347 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27347 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27347 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 27347 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27347 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27347 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27347 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 27347 _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 0.2 _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' . . . 27347 1 2 '3D CBCA(CO)NH' . . . 27347 1 3 '3D HNCA' . . . 27347 1 4 '3D HNCACB' . . . 27347 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27347 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 . 1 . 1 2 2 PRO CA C 13 64.733 0.03 . . . . . . . 2 PRO CA . 27347 1 2 . 1 . 1 2 2 PRO CB C 13 32.233 0.01 . . . . . . . 2 PRO CB . 27347 1 3 . 1 . 1 3 3 LEU H H 1 8.601 0.00 . . . . . . . 3 LEU H . 27347 1 4 . 1 . 1 3 3 LEU CA C 13 57.483 0.04 . . . . . . . 3 LEU CA . 27347 1 5 . 1 . 1 3 3 LEU CB C 13 41.395 0.01 . . . . . . . 3 LEU CB . 27347 1 6 . 1 . 1 3 3 LEU N N 15 120.172 0.00 . . . . . . . 3 LEU N . 27347 1 7 . 1 . 1 4 4 GLU H H 1 8.202 0.00 . . . . . . . 4 GLU H . 27347 1 8 . 1 . 1 4 4 GLU CA C 13 60.116 0.01 . . . . . . . 4 GLU CA . 27347 1 9 . 1 . 1 4 4 GLU CB C 13 28.677 0.01 . . . . . . . 4 GLU CB . 27347 1 10 . 1 . 1 4 4 GLU N N 15 120.275 0.00 . . . . . . . 4 GLU N . 27347 1 11 . 1 . 1 5 5 ASP H H 1 8.316 0.00 . . . . . . . 5 ASP H . 27347 1 12 . 1 . 1 5 5 ASP CA C 13 56.658 0.07 . . . . . . . 5 ASP CA . 27347 1 13 . 1 . 1 5 5 ASP CB C 13 40.162 0.04 . . . . . . . 5 ASP CB . 27347 1 14 . 1 . 1 5 5 ASP N N 15 120.013 0.00 . . . . . . . 5 ASP N . 27347 1 15 . 1 . 1 6 6 GLN H H 1 8.080 0.00 . . . . . . . 6 GLN H . 27347 1 16 . 1 . 1 6 6 GLN N N 15 120.254 0.00 . . . . . . . 6 GLN N . 27347 1 17 . 1 . 1 7 7 GLU CA C 13 60.123 0.00 . . . . . . . 7 GLU CA . 27347 1 18 . 1 . 1 7 7 GLU CB C 13 30.089 0.00 . . . . . . . 7 GLU CB . 27347 1 19 . 1 . 1 8 8 GLU H H 1 8.300 0.00 . . . . . . . 8 GLU H . 27347 1 20 . 1 . 1 8 8 GLU CA C 13 58.578 0.00 . . . . . . . 8 GLU CA . 27347 1 21 . 1 . 1 8 8 GLU CB C 13 28.923 0.16 . . . . . . . 8 GLU CB . 27347 1 22 . 1 . 1 8 8 GLU N N 15 117.417 0.00 . . . . . . . 8 GLU N . 27347 1 23 . 1 . 1 9 9 ASN H H 1 8.227 0.00 . . . . . . . 9 ASN H . 27347 1 24 . 1 . 1 9 9 ASN CA C 13 56.841 0.04 . . . . . . . 9 ASN CA . 27347 1 25 . 1 . 1 9 9 ASN CB C 13 38.298 0.03 . . . . . . . 9 ASN CB . 27347 1 26 . 1 . 1 9 9 ASN N N 15 118.797 0.00 . . . . . . . 9 ASN N . 27347 1 27 . 1 . 1 10 10 THR H H 1 7.982 0.00 . . . . . . . 10 THR H . 27347 1 28 . 1 . 1 10 10 THR CA C 13 67.231 0.08 . . . . . . . 10 THR CA . 27347 1 29 . 1 . 1 10 10 THR CB C 13 68.980 0.00 . . . . . . . 10 THR CB . 27347 1 30 . 1 . 1 10 10 THR N N 15 118.950 0.00 . . . . . . . 10 THR N . 27347 1 31 . 1 . 1 11 11 LEU H H 1 8.135 0.00 . . . . . . . 11 LEU H . 27347 1 32 . 1 . 1 11 11 LEU CA C 13 57.839 0.02 . . . . . . . 11 LEU CA . 27347 1 33 . 1 . 1 11 11 LEU CB C 13 40.648 0.12 . . . . . . . 11 LEU CB . 27347 1 34 . 1 . 1 11 11 LEU N N 15 119.833 0.04 . . . . . . . 11 LEU N . 27347 1 35 . 1 . 1 12 12 ARG H H 1 8.569 0.00 . . . . . . . 12 ARG H . 27347 1 36 . 1 . 1 12 12 ARG N N 15 121.260 0.00 . . . . . . . 12 ARG N . 27347 1 37 . 1 . 1 13 13 GLU CA C 13 59.569 0.00 . . . . . . . 13 GLU CA . 27347 1 38 . 1 . 1 13 13 GLU CB C 13 29.011 0.00 . . . . . . . 13 GLU CB . 27347 1 39 . 1 . 1 14 14 LEU H H 1 8.494 0.00 . . . . . . . 14 LEU H . 27347 1 40 . 1 . 1 14 14 LEU CA C 13 58.507 0.02 . . . . . . . 14 LEU CA . 27347 1 41 . 1 . 1 14 14 LEU CB C 13 40.544 0.06 . . . . . . . 14 LEU CB . 27347 1 42 . 1 . 1 14 14 LEU N N 15 121.496 0.01 . . . . . . . 14 LEU N . 27347 1 43 . 1 . 1 15 15 ARG H H 1 8.602 0.00 . . . . . . . 15 ARG H . 27347 1 44 . 1 . 1 15 15 ARG CA C 13 61.500 0.03 . . . . . . . 15 ARG CA . 27347 1 45 . 1 . 1 15 15 ARG CB C 13 30.594 0.10 . . . . . . . 15 ARG CB . 27347 1 46 . 1 . 1 15 15 ARG N N 15 118.716 0.03 . . . . . . . 15 ARG N . 27347 1 47 . 1 . 1 16 16 LEU H H 1 8.023 0.00 . . . . . . . 16 LEU H . 27347 1 48 . 1 . 1 16 16 LEU CA C 13 58.449 0.09 . . . . . . . 16 LEU CA . 27347 1 49 . 1 . 1 16 16 LEU CB C 13 41.549 0.27 . . . . . . . 16 LEU CB . 27347 1 50 . 1 . 1 16 16 LEU N N 15 118.942 0.03 . . . . . . . 16 LEU N . 27347 1 51 . 1 . 1 17 17 PHE H H 1 7.787 0.00 . . . . . . . 17 PHE H . 27347 1 52 . 1 . 1 17 17 PHE CA C 13 60.392 0.03 . . . . . . . 17 PHE CA . 27347 1 53 . 1 . 1 17 17 PHE CB C 13 38.844 0.00 . . . . . . . 17 PHE CB . 27347 1 54 . 1 . 1 17 17 PHE N N 15 120.949 0.00 . . . . . . . 17 PHE N . 27347 1 55 . 1 . 1 18 18 LEU H H 1 9.041 0.00 . . . . . . . 18 LEU H . 27347 1 56 . 1 . 1 18 18 LEU CA C 13 57.216 0.05 . . . . . . . 18 LEU CA . 27347 1 57 . 1 . 1 18 18 LEU CB C 13 40.772 0.00 . . . . . . . 18 LEU CB . 27347 1 58 . 1 . 1 18 18 LEU N N 15 117.333 0.03 . . . . . . . 18 LEU N . 27347 1 59 . 1 . 1 19 19 ARG H H 1 8.895 0.00 . . . . . . . 19 ARG H . 27347 1 60 . 1 . 1 19 19 ARG CA C 13 60.358 0.03 . . . . . . . 19 ARG CA . 27347 1 61 . 1 . 1 19 19 ARG CB C 13 30.420 0.06 . . . . . . . 19 ARG CB . 27347 1 62 . 1 . 1 19 19 ARG N N 15 122.732 0.02 . . . . . . . 19 ARG N . 27347 1 63 . 1 . 1 20 20 ASP H H 1 7.494 0.00 . . . . . . . 20 ASP H . 27347 1 64 . 1 . 1 20 20 ASP N N 15 120.645 0.03 . . . . . . . 20 ASP N . 27347 1 65 . 1 . 1 21 21 VAL CA C 13 67.349 0.06 . . . . . . . 21 VAL CA . 27347 1 66 . 1 . 1 21 21 VAL CB C 13 31.466 0.00 . . . . . . . 21 VAL CB . 27347 1 67 . 1 . 1 22 22 THR H H 1 8.235 0.00 . . . . . . . 22 THR H . 27347 1 68 . 1 . 1 22 22 THR CA C 13 68.890 0.00 . . . . . . . 22 THR CA . 27347 1 69 . 1 . 1 22 22 THR N N 15 114.328 0.04 . . . . . . . 22 THR N . 27347 1 70 . 1 . 1 23 23 LYS H H 1 8.341 0.00 . . . . . . . 23 LYS H . 27347 1 71 . 1 . 1 23 23 LYS CA C 13 60.073 0.05 . . . . . . . 23 LYS CA . 27347 1 72 . 1 . 1 23 23 LYS CB C 13 31.919 0.05 . . . . . . . 23 LYS CB . 27347 1 73 . 1 . 1 23 23 LYS N N 15 122.267 0.05 . . . . . . . 23 LYS N . 27347 1 74 . 1 . 1 24 24 ARG H H 1 7.925 0.00 . . . . . . . 24 ARG H . 27347 1 75 . 1 . 1 24 24 ARG CA C 13 60.014 0.06 . . . . . . . 24 ARG CA . 27347 1 76 . 1 . 1 24 24 ARG CB C 13 30.796 0.10 . . . . . . . 24 ARG CB . 27347 1 77 . 1 . 1 24 24 ARG N N 15 120.299 0.00 . . . . . . . 24 ARG N . 27347 1 78 . 1 . 1 25 25 LEU H H 1 8.018 0.00 . . . . . . . 25 LEU H . 27347 1 79 . 1 . 1 25 25 LEU CA C 13 57.643 0.04 . . . . . . . 25 LEU CA . 27347 1 80 . 1 . 1 25 25 LEU CB C 13 41.798 0.13 . . . . . . . 25 LEU CB . 27347 1 81 . 1 . 1 25 25 LEU N N 15 118.666 0.18 . . . . . . . 25 LEU N . 27347 1 82 . 1 . 1 26 26 ALA H H 1 8.968 0.00 . . . . . . . 26 ALA H . 27347 1 83 . 1 . 1 26 26 ALA CA C 13 54.492 0.02 . . . . . . . 26 ALA CA . 27347 1 84 . 1 . 1 26 26 ALA CB C 13 18.592 0.01 . . . . . . . 26 ALA CB . 27347 1 85 . 1 . 1 26 26 ALA N N 15 117.483 0.00 . . . . . . . 26 ALA N . 27347 1 86 . 1 . 1 27 27 THR H H 1 7.640 0.00 . . . . . . . 27 THR H . 27347 1 87 . 1 . 1 27 27 THR CA C 13 61.887 0.04 . . . . . . . 27 THR CA . 27347 1 88 . 1 . 1 27 27 THR CB C 13 69.916 0.01 . . . . . . . 27 THR CB . 27347 1 89 . 1 . 1 27 27 THR N N 15 106.425 0.00 . . . . . . . 27 THR N . 27347 1 90 . 1 . 1 28 28 ASP H H 1 7.225 0.00 . . . . . . . 28 ASP H . 27347 1 91 . 1 . 1 28 28 ASP N N 15 125.434 0.00 . . . . . . . 28 ASP N . 27347 1 92 . 1 . 1 29 29 LYS CA C 13 59.099 0.03 . . . . . . . 29 LYS CA . 27347 1 93 . 1 . 1 29 29 LYS CB C 13 31.998 0.04 . . . . . . . 29 LYS CB . 27347 1 94 . 1 . 1 30 30 ARG H H 1 8.683 0.00 . . . . . . . 30 ARG H . 27347 1 95 . 1 . 1 30 30 ARG CA C 13 58.271 0.03 . . . . . . . 30 ARG CA . 27347 1 96 . 1 . 1 30 30 ARG CB C 13 30.909 0.08 . . . . . . . 30 ARG CB . 27347 1 97 . 1 . 1 30 30 ARG N N 15 116.966 0.00 . . . . . . . 30 ARG N . 27347 1 98 . 1 . 1 31 31 PHE H H 1 7.500 0.00 . . . . . . . 31 PHE H . 27347 1 99 . 1 . 1 31 31 PHE CA C 13 53.224 0.03 . . . . . . . 31 PHE CA . 27347 1 100 . 1 . 1 31 31 PHE CB C 13 37.779 0.00 . . . . . . . 31 PHE CB . 27347 1 101 . 1 . 1 31 31 PHE N N 15 113.994 0.06 . . . . . . . 31 PHE N . 27347 1 102 . 1 . 1 32 32 ASN H H 1 7.583 0.00 . . . . . . . 32 ASN H . 27347 1 103 . 1 . 1 32 32 ASN N N 15 121.177 0.00 . . . . . . . 32 ASN N . 27347 1 104 . 1 . 1 33 33 ILE CA C 13 63.460 0.02 . . . . . . . 33 ILE CA . 27347 1 105 . 1 . 1 33 33 ILE CB C 13 37.698 0.00 . . . . . . . 33 ILE CB . 27347 1 106 . 1 . 1 34 34 PHE H H 1 7.795 0.00 . . . . . . . 34 PHE H . 27347 1 107 . 1 . 1 34 34 PHE CA C 13 56.482 0.03 . . . . . . . 34 PHE CA . 27347 1 108 . 1 . 1 34 34 PHE CB C 13 38.502 0.28 . . . . . . . 34 PHE CB . 27347 1 109 . 1 . 1 34 34 PHE N N 15 119.292 0.00 . . . . . . . 34 PHE N . 27347 1 110 . 1 . 1 35 35 SER H H 1 8.048 0.00 . . . . . . . 35 SER H . 27347 1 111 . 1 . 1 35 35 SER CA C 13 61.161 0.03 . . . . . . . 35 SER CA . 27347 1 112 . 1 . 1 35 35 SER CB C 13 64.201 0.01 . . . . . . . 35 SER CB . 27347 1 113 . 1 . 1 35 35 SER N N 15 115.057 0.01 . . . . . . . 35 SER N . 27347 1 114 . 1 . 1 36 36 LYS H H 1 7.673 0.00 . . . . . . . 36 LYS H . 27347 1 115 . 1 . 1 36 36 LYS N N 15 120.303 0.00 . . . . . . . 36 LYS N . 27347 1 116 . 1 . 1 37 37 PRO CA C 13 62.569 0.03 . . . . . . . 37 PRO CA . 27347 1 117 . 1 . 1 37 37 PRO CB C 13 31.988 0.00 . . . . . . . 37 PRO CB . 27347 1 118 . 1 . 1 38 38 VAL H H 1 8.315 0.00 . . . . . . . 38 VAL H . 27347 1 119 . 1 . 1 38 38 VAL CA C 13 64.068 0.03 . . . . . . . 38 VAL CA . 27347 1 120 . 1 . 1 38 38 VAL CB C 13 32.020 0.05 . . . . . . . 38 VAL CB . 27347 1 121 . 1 . 1 38 38 VAL N N 15 124.775 0.01 . . . . . . . 38 VAL N . 27347 1 122 . 1 . 1 39 39 ASP H H 1 8.486 0.00 . . . . . . . 39 ASP H . 27347 1 123 . 1 . 1 39 39 ASP CA C 13 53.394 0.01 . . . . . . . 39 ASP CA . 27347 1 124 . 1 . 1 39 39 ASP CB C 13 40.955 0.17 . . . . . . . 39 ASP CB . 27347 1 125 . 1 . 1 39 39 ASP N N 15 127.276 0.06 . . . . . . . 39 ASP N . 27347 1 126 . 1 . 1 40 40 ILE H H 1 7.958 0.00 . . . . . . . 40 ILE H . 27347 1 127 . 1 . 1 40 40 ILE CA C 13 62.482 0.07 . . . . . . . 40 ILE CA . 27347 1 128 . 1 . 1 40 40 ILE CB C 13 37.563 0.02 . . . . . . . 40 ILE CB . 27347 1 129 . 1 . 1 40 40 ILE N N 15 123.213 0.00 . . . . . . . 40 ILE N . 27347 1 130 . 1 . 1 41 41 GLU H H 1 8.349 0.00 . . . . . . . 41 GLU H . 27347 1 131 . 1 . 1 41 41 GLU CA C 13 58.130 0.03 . . . . . . . 41 GLU CA . 27347 1 132 . 1 . 1 41 41 GLU CB C 13 29.402 0.01 . . . . . . . 41 GLU CB . 27347 1 133 . 1 . 1 41 41 GLU N N 15 120.176 0.00 . . . . . . . 41 GLU N . 27347 1 134 . 1 . 1 42 42 GLU H H 1 7.445 0.00 . . . . . . . 42 GLU H . 27347 1 135 . 1 . 1 42 42 GLU CA C 13 57.353 0.00 . . . . . . . 42 GLU CA . 27347 1 136 . 1 . 1 42 42 GLU CB C 13 30.986 0.02 . . . . . . . 42 GLU CB . 27347 1 137 . 1 . 1 42 42 GLU N N 15 118.466 0.00 . . . . . . . 42 GLU N . 27347 1 138 . 1 . 1 43 43 VAL H H 1 8.210 0.00 . . . . . . . 43 VAL H . 27347 1 139 . 1 . 1 43 43 VAL CA C 13 61.124 0.05 . . . . . . . 43 VAL CA . 27347 1 140 . 1 . 1 43 43 VAL CB C 13 29.970 0.03 . . . . . . . 43 VAL CB . 27347 1 141 . 1 . 1 43 43 VAL N N 15 121.400 0.00 . . . . . . . 43 VAL N . 27347 1 142 . 1 . 1 44 44 SER H H 1 7.916 0.00 . . . . . . . 44 SER H . 27347 1 143 . 1 . 1 44 44 SER CA C 13 61.214 0.06 . . . . . . . 44 SER CA . 27347 1 144 . 1 . 1 44 44 SER CB C 13 63.574 0.09 . . . . . . . 44 SER CB . 27347 1 145 . 1 . 1 44 44 SER N N 15 117.245 0.02 . . . . . . . 44 SER N . 27347 1 146 . 1 . 1 45 45 ASP H H 1 8.413 0.00 . . . . . . . 45 ASP H . 27347 1 147 . 1 . 1 45 45 ASP CA C 13 53.380 0.01 . . . . . . . 45 ASP CA . 27347 1 148 . 1 . 1 45 45 ASP CB C 13 40.657 0.02 . . . . . . . 45 ASP CB . 27347 1 149 . 1 . 1 45 45 ASP N N 15 120.163 0.04 . . . . . . . 45 ASP N . 27347 1 150 . 1 . 1 46 46 TYR H H 1 7.803 0.00 . . . . . . . 46 TYR H . 27347 1 151 . 1 . 1 46 46 TYR CA C 13 63.326 0.12 . . . . . . . 46 TYR CA . 27347 1 152 . 1 . 1 46 46 TYR CB C 13 39.201 0.00 . . . . . . . 46 TYR CB . 27347 1 153 . 1 . 1 46 46 TYR N N 15 121.863 0.00 . . . . . . . 46 TYR N . 27347 1 154 . 1 . 1 47 47 LEU H H 1 8.373 0.00 . . . . . . . 47 LEU H . 27347 1 155 . 1 . 1 47 47 LEU CA C 13 55.301 0.01 . . . . . . . 47 LEU CA . 27347 1 156 . 1 . 1 47 47 LEU CB C 13 40.389 0.07 . . . . . . . 47 LEU CB . 27347 1 157 . 1 . 1 47 47 LEU N N 15 113.139 0.02 . . . . . . . 47 LEU N . 27347 1 158 . 1 . 1 48 48 GLU H H 1 7.559 0.00 . . . . . . . 48 GLU H . 27347 1 159 . 1 . 1 48 48 GLU CA C 13 57.561 0.02 . . . . . . . 48 GLU CA . 27347 1 160 . 1 . 1 48 48 GLU CB C 13 29.567 0.01 . . . . . . . 48 GLU CB . 27347 1 161 . 1 . 1 48 48 GLU N N 15 117.693 0.03 . . . . . . . 48 GLU N . 27347 1 162 . 1 . 1 49 49 VAL H H 1 7.200 0.00 . . . . . . . 49 VAL H . 27347 1 163 . 1 . 1 49 49 VAL CA C 13 63.925 0.12 . . . . . . . 49 VAL CA . 27347 1 164 . 1 . 1 49 49 VAL CB C 13 34.353 0.02 . . . . . . . 49 VAL CB . 27347 1 165 . 1 . 1 49 49 VAL N N 15 117.724 0.00 . . . . . . . 49 VAL N . 27347 1 166 . 1 . 1 50 50 ILE H H 1 8.225 0.01 . . . . . . . 50 ILE H . 27347 1 167 . 1 . 1 50 50 ILE CA C 13 57.257 0.05 . . . . . . . 50 ILE CA . 27347 1 168 . 1 . 1 50 50 ILE CB C 13 35.457 0.03 . . . . . . . 50 ILE CB . 27347 1 169 . 1 . 1 50 50 ILE N N 15 121.642 0.15 . . . . . . . 50 ILE N . 27347 1 170 . 1 . 1 51 51 LYS H H 1 7.796 0.00 . . . . . . . 51 LYS H . 27347 1 171 . 1 . 1 51 51 LYS CA C 13 57.328 0.03 . . . . . . . 51 LYS CA . 27347 1 172 . 1 . 1 51 51 LYS CB C 13 32.766 0.20 . . . . . . . 51 LYS CB . 27347 1 173 . 1 . 1 51 51 LYS N N 15 124.177 0.08 . . . . . . . 51 LYS N . 27347 1 174 . 1 . 1 52 52 GLU H H 1 8.455 0.00 . . . . . . . 52 GLU H . 27347 1 175 . 1 . 1 52 52 GLU N N 15 119.370 0.00 . . . . . . . 52 GLU N . 27347 1 176 . 1 . 1 55 55 ASP CA C 13 53.651 0.00 . . . . . . . 55 ASP CA . 27347 1 177 . 1 . 1 55 55 ASP CB C 13 43.639 0.10 . . . . . . . 55 ASP CB . 27347 1 178 . 1 . 1 56 56 LEU H H 1 9.277 0.00 . . . . . . . 56 LEU H . 27347 1 179 . 1 . 1 56 56 LEU CA C 13 58.582 0.09 . . . . . . . 56 LEU CA . 27347 1 180 . 1 . 1 56 56 LEU CB C 13 42.176 0.05 . . . . . . . 56 LEU CB . 27347 1 181 . 1 . 1 56 56 LEU N N 15 118.307 0.00 . . . . . . . 56 LEU N . 27347 1 182 . 1 . 1 57 57 SER H H 1 8.715 0.00 . . . . . . . 57 SER H . 27347 1 183 . 1 . 1 57 57 SER CA C 13 62.541 0.00 . . . . . . . 57 SER CA . 27347 1 184 . 1 . 1 57 57 SER CB C 13 62.311 0.00 . . . . . . . 57 SER CB . 27347 1 185 . 1 . 1 57 57 SER N N 15 118.357 0.04 . . . . . . . 57 SER N . 27347 1 186 . 1 . 1 58 58 THR H H 1 7.876 0.00 . . . . . . . 58 THR H . 27347 1 187 . 1 . 1 58 58 THR CA C 13 66.885 0.01 . . . . . . . 58 THR CA . 27347 1 188 . 1 . 1 58 58 THR CB C 13 67.666 0.13 . . . . . . . 58 THR CB . 27347 1 189 . 1 . 1 58 58 THR N N 15 124.565 0.00 . . . . . . . 58 THR N . 27347 1 190 . 1 . 1 59 59 VAL H H 1 7.762 0.00 . . . . . . . 59 VAL H . 27347 1 191 . 1 . 1 59 59 VAL CA C 13 66.816 0.03 . . . . . . . 59 VAL CA . 27347 1 192 . 1 . 1 59 59 VAL CB C 13 31.608 0.07 . . . . . . . 59 VAL CB . 27347 1 193 . 1 . 1 59 59 VAL N N 15 123.567 0.13 . . . . . . . 59 VAL N . 27347 1 194 . 1 . 1 60 60 ILE H H 1 7.714 0.00 . . . . . . . 60 ILE H . 27347 1 195 . 1 . 1 60 60 ILE CA C 13 65.953 0.25 . . . . . . . 60 ILE CA . 27347 1 196 . 1 . 1 60 60 ILE CB C 13 37.070 0.07 . . . . . . . 60 ILE CB . 27347 1 197 . 1 . 1 60 60 ILE N N 15 118.565 0.02 . . . . . . . 60 ILE N . 27347 1 198 . 1 . 1 61 61 THR H H 1 7.647 0.00 . . . . . . . 61 THR H . 27347 1 199 . 1 . 1 61 61 THR CA C 13 68.838 0.00 . . . . . . . 61 THR CA . 27347 1 200 . 1 . 1 61 61 THR CB C 13 68.896 0.06 . . . . . . . 61 THR CB . 27347 1 201 . 1 . 1 61 61 THR N N 15 115.055 0.03 . . . . . . . 61 THR N . 27347 1 202 . 1 . 1 62 62 LYS H H 1 8.341 0.00 . . . . . . . 62 LYS H . 27347 1 203 . 1 . 1 62 62 LYS CA C 13 60.849 0.01 . . . . . . . 62 LYS CA . 27347 1 204 . 1 . 1 62 62 LYS CB C 13 30.979 0.05 . . . . . . . 62 LYS CB . 27347 1 205 . 1 . 1 62 62 LYS N N 15 122.221 0.00 . . . . . . . 62 LYS N . 27347 1 206 . 1 . 1 63 63 ILE H H 1 8.690 0.00 . . . . . . . 63 ILE H . 27347 1 207 . 1 . 1 63 63 ILE CA C 13 65.493 0.02 . . . . . . . 63 ILE CA . 27347 1 208 . 1 . 1 63 63 ILE N N 15 121.595 0.02 . . . . . . . 63 ILE N . 27347 1 209 . 1 . 1 64 64 ASP H H 1 8.048 0.00 . . . . . . . 64 ASP H . 27347 1 210 . 1 . 1 64 64 ASP CA C 13 57.132 0.23 . . . . . . . 64 ASP CA . 27347 1 211 . 1 . 1 64 64 ASP CB C 13 40.022 0.11 . . . . . . . 64 ASP CB . 27347 1 212 . 1 . 1 64 64 ASP N N 15 120.566 0.01 . . . . . . . 64 ASP N . 27347 1 213 . 1 . 1 65 65 LYS H H 1 7.844 0.00 . . . . . . . 65 LYS H . 27347 1 214 . 1 . 1 65 65 LYS CA C 13 56.229 0.07 . . . . . . . 65 LYS CA . 27347 1 215 . 1 . 1 65 65 LYS CB C 13 31.916 0.05 . . . . . . . 65 LYS CB . 27347 1 216 . 1 . 1 65 65 LYS N N 15 118.247 0.08 . . . . . . . 65 LYS N . 27347 1 217 . 1 . 1 66 66 HIS H H 1 8.153 0.00 . . . . . . . 66 HIS H . 27347 1 218 . 1 . 1 66 66 HIS CA C 13 56.299 0.00 . . . . . . . 66 HIS CA . 27347 1 219 . 1 . 1 66 66 HIS CB C 13 26.299 0.00 . . . . . . . 66 HIS CB . 27347 1 220 . 1 . 1 66 66 HIS N N 15 112.785 0.00 . . . . . . . 66 HIS N . 27347 1 221 . 1 . 1 67 67 ASN H H 1 8.145 0.00 . . . . . . . 67 ASN H . 27347 1 222 . 1 . 1 67 67 ASN CA C 13 55.642 0.00 . . . . . . . 67 ASN CA . 27347 1 223 . 1 . 1 67 67 ASN CB C 13 40.012 0.17 . . . . . . . 67 ASN CB . 27347 1 224 . 1 . 1 67 67 ASN N N 15 113.560 0.00 . . . . . . . 67 ASN N . 27347 1 225 . 1 . 1 68 68 TYR H H 1 8.103 0.00 . . . . . . . 68 TYR H . 27347 1 226 . 1 . 1 68 68 TYR CA C 13 56.084 0.04 . . . . . . . 68 TYR CA . 27347 1 227 . 1 . 1 68 68 TYR CB C 13 38.731 0.04 . . . . . . . 68 TYR CB . 27347 1 228 . 1 . 1 68 68 TYR N N 15 116.938 0.06 . . . . . . . 68 TYR N . 27347 1 229 . 1 . 1 69 69 LEU H H 1 9.571 0.00 . . . . . . . 69 LEU H . 27347 1 230 . 1 . 1 69 69 LEU CA C 13 55.261 0.03 . . . . . . . 69 LEU CA . 27347 1 231 . 1 . 1 69 69 LEU CB C 13 43.829 0.06 . . . . . . . 69 LEU CB . 27347 1 232 . 1 . 1 69 69 LEU N N 15 123.949 0.00 . . . . . . . 69 LEU N . 27347 1 233 . 1 . 1 70 70 THR H H 1 7.127 0.00 . . . . . . . 70 THR H . 27347 1 234 . 1 . 1 70 70 THR CA C 13 58.612 0.03 . . . . . . . 70 THR CA . 27347 1 235 . 1 . 1 70 70 THR CB C 13 73.472 0.10 . . . . . . . 70 THR CB . 27347 1 236 . 1 . 1 70 70 THR N N 15 98.601 0.00 . . . . . . . 70 THR N . 27347 1 237 . 1 . 1 71 71 ALA H H 1 9.400 0.00 . . . . . . . 71 ALA H . 27347 1 238 . 1 . 1 71 71 ALA CA C 13 54.814 0.05 . . . . . . . 71 ALA CA . 27347 1 239 . 1 . 1 71 71 ALA CB C 13 18.565 0.01 . . . . . . . 71 ALA CB . 27347 1 240 . 1 . 1 71 71 ALA N N 15 123.227 0.00 . . . . . . . 71 ALA N . 27347 1 241 . 1 . 1 72 72 LYS H H 1 8.438 0.00 . . . . . . . 72 LYS H . 27347 1 242 . 1 . 1 72 72 LYS CA C 13 59.981 0.21 . . . . . . . 72 LYS CA . 27347 1 243 . 1 . 1 72 72 LYS CB C 13 32.161 0.10 . . . . . . . 72 LYS CB . 27347 1 244 . 1 . 1 72 72 LYS N N 15 118.589 0.00 . . . . . . . 72 LYS N . 27347 1 245 . 1 . 1 73 73 ASP H H 1 7.787 0.00 . . . . . . . 73 ASP H . 27347 1 246 . 1 . 1 73 73 ASP CA C 13 57.846 0.02 . . . . . . . 73 ASP CA . 27347 1 247 . 1 . 1 73 73 ASP CB C 13 41.132 0.14 . . . . . . . 73 ASP CB . 27347 1 248 . 1 . 1 73 73 ASP N N 15 120.053 0.00 . . . . . . . 73 ASP N . 27347 1 249 . 1 . 1 74 74 PHE H H 1 6.850 0.00 . . . . . . . 74 PHE H . 27347 1 250 . 1 . 1 74 74 PHE N N 15 122.394 0.00 . . . . . . . 74 PHE N . 27347 1 251 . 1 . 1 75 75 LEU CA C 13 57.229 0.00 . . . . . . . 75 LEU CA . 27347 1 252 . 1 . 1 75 75 LEU CB C 13 41.212 0.09 . . . . . . . 75 LEU CB . 27347 1 253 . 1 . 1 76 76 LYS H H 1 7.583 0.00 . . . . . . . 76 LYS H . 27347 1 254 . 1 . 1 76 76 LYS CA C 13 59.912 0.02 . . . . . . . 76 LYS CA . 27347 1 255 . 1 . 1 76 76 LYS CB C 13 32.241 0.01 . . . . . . . 76 LYS CB . 27347 1 256 . 1 . 1 76 76 LYS N N 15 118.123 0.00 . . . . . . . 76 LYS N . 27347 1 257 . 1 . 1 77 77 ASP H H 1 6.972 0.00 . . . . . . . 77 ASP H . 27347 1 258 . 1 . 1 77 77 ASP CA C 13 56.584 0.01 . . . . . . . 77 ASP CA . 27347 1 259 . 1 . 1 77 77 ASP CB C 13 39.398 0.13 . . . . . . . 77 ASP CB . 27347 1 260 . 1 . 1 77 77 ASP N N 15 119.722 0.00 . . . . . . . 77 ASP N . 27347 1 261 . 1 . 1 78 78 ILE H H 1 7.054 0.00 . . . . . . . 78 ILE H . 27347 1 262 . 1 . 1 78 78 ILE CA C 13 62.278 0.04 . . . . . . . 78 ILE CA . 27347 1 263 . 1 . 1 78 78 ILE CB C 13 33.797 0.07 . . . . . . . 78 ILE CB . 27347 1 264 . 1 . 1 78 78 ILE N N 15 121.072 0.00 . . . . . . . 78 ILE N . 27347 1 265 . 1 . 1 79 79 ASP H H 1 8.960 0.00 . . . . . . . 79 ASP H . 27347 1 266 . 1 . 1 79 79 ASP CA C 13 57.599 0.00 . . . . . . . 79 ASP CA . 27347 1 267 . 1 . 1 79 79 ASP CB C 13 39.063 0.02 . . . . . . . 79 ASP CB . 27347 1 268 . 1 . 1 79 79 ASP N N 15 121.003 0.00 . . . . . . . 79 ASP N . 27347 1 269 . 1 . 1 80 80 LEU H H 1 7.494 0.00 . . . . . . . 80 LEU H . 27347 1 270 . 1 . 1 80 80 LEU CA C 13 57.465 0.12 . . . . . . . 80 LEU CA . 27347 1 271 . 1 . 1 80 80 LEU CB C 13 42.652 0.04 . . . . . . . 80 LEU CB . 27347 1 272 . 1 . 1 80 80 LEU N N 15 123.280 0.00 . . . . . . . 80 LEU N . 27347 1 273 . 1 . 1 81 81 ILE H H 1 7.510 0.00 . . . . . . . 81 ILE H . 27347 1 274 . 1 . 1 81 81 ILE CA C 13 66.490 0.03 . . . . . . . 81 ILE CA . 27347 1 275 . 1 . 1 81 81 ILE CB C 13 37.740 0.05 . . . . . . . 81 ILE CB . 27347 1 276 . 1 . 1 81 81 ILE N N 15 119.174 0.01 . . . . . . . 81 ILE N . 27347 1 277 . 1 . 1 82 82 CYS H H 1 7.331 0.00 . . . . . . . 82 CYS H . 27347 1 278 . 1 . 1 82 82 CYS CA C 13 62.188 0.02 . . . . . . . 82 CYS CA . 27347 1 279 . 1 . 1 82 82 CYS CB C 13 26.530 0.03 . . . . . . . 82 CYS CB . 27347 1 280 . 1 . 1 82 82 CYS N N 15 117.151 0.00 . . . . . . . 82 CYS N . 27347 1 281 . 1 . 1 83 83 SER H H 1 9.212 0.00 . . . . . . . 83 SER H . 27347 1 282 . 1 . 1 83 83 SER CA C 13 60.157 0.00 . . . . . . . 83 SER CA . 27347 1 283 . 1 . 1 83 83 SER N N 15 115.679 0.00 . . . . . . . 83 SER N . 27347 1 284 . 1 . 1 84 84 ASN CA C 13 55.227 0.06 . . . . . . . 84 ASN CA . 27347 1 285 . 1 . 1 84 84 ASN CB C 13 37.520 0.05 . . . . . . . 84 ASN CB . 27347 1 286 . 1 . 1 85 85 ALA H H 1 7.483 0.00 . . . . . . . 85 ALA H . 27347 1 287 . 1 . 1 85 85 ALA N N 15 121.907 0.04 . . . . . . . 85 ALA N . 27347 1 288 . 1 . 1 87 87 GLU H H 1 8.121 0.00 . . . . . . . 87 GLU H . 27347 1 289 . 1 . 1 87 87 GLU CA C 13 58.246 0.00 . . . . . . . 87 GLU CA . 27347 1 290 . 1 . 1 87 87 GLU CB C 13 30.290 0.06 . . . . . . . 87 GLU CB . 27347 1 291 . 1 . 1 87 87 GLU N N 15 118.946 0.05 . . . . . . . 87 GLU N . 27347 1 292 . 1 . 1 88 88 TYR H H 1 8.422 0.00 . . . . . . . 88 TYR H . 27347 1 293 . 1 . 1 88 88 TYR CA C 13 61.168 0.01 . . . . . . . 88 TYR CA . 27347 1 294 . 1 . 1 88 88 TYR CB C 13 39.826 0.08 . . . . . . . 88 TYR CB . 27347 1 295 . 1 . 1 88 88 TYR N N 15 116.966 0.04 . . . . . . . 88 TYR N . 27347 1 296 . 1 . 1 89 89 ASN H H 1 7.697 0.00 . . . . . . . 89 ASN H . 27347 1 297 . 1 . 1 89 89 ASN N N 15 116.367 0.05 . . . . . . . 89 ASN N . 27347 1 298 . 1 . 1 90 90 PRO CA C 13 62.958 0.07 . . . . . . . 90 PRO CA . 27347 1 299 . 1 . 1 90 90 PRO CB C 13 32.230 0.00 . . . . . . . 90 PRO CB . 27347 1 300 . 1 . 1 91 91 ASP H H 1 8.463 0.00 . . . . . . . 91 ASP H . 27347 1 301 . 1 . 1 91 91 ASP CA C 13 53.562 0.14 . . . . . . . 91 ASP CA . 27347 1 302 . 1 . 1 91 91 ASP CB C 13 40.341 0.02 . . . . . . . 91 ASP CB . 27347 1 303 . 1 . 1 91 91 ASP N N 15 118.817 0.05 . . . . . . . 91 ASP N . 27347 1 304 . 1 . 1 92 92 LYS H H 1 8.113 0.00 . . . . . . . 92 LYS H . 27347 1 305 . 1 . 1 92 92 LYS CA C 13 57.519 0.05 . . . . . . . 92 LYS CA . 27347 1 306 . 1 . 1 92 92 LYS CB C 13 34.328 0.03 . . . . . . . 92 LYS CB . 27347 1 307 . 1 . 1 92 92 LYS N N 15 121.419 0.06 . . . . . . . 92 LYS N . 27347 1 308 . 1 . 1 93 93 ASP H H 1 9.025 0.00 . . . . . . . 93 ASP H . 27347 1 309 . 1 . 1 93 93 ASP N N 15 123.047 0.10 . . . . . . . 93 ASP N . 27347 1 310 . 1 . 1 94 94 PRO CA C 13 65.966 0.00 . . . . . . . 94 PRO CA . 27347 1 311 . 1 . 1 94 94 PRO CB C 13 32.028 0.00 . . . . . . . 94 PRO CB . 27347 1 312 . 1 . 1 95 95 GLY H H 1 8.911 0.00 . . . . . . . 95 GLY H . 27347 1 313 . 1 . 1 95 95 GLY CA C 13 46.762 0.01 . . . . . . . 95 GLY CA . 27347 1 314 . 1 . 1 95 95 GLY N N 15 105.910 0.00 . . . . . . . 95 GLY N . 27347 1 315 . 1 . 1 96 96 ASP H H 1 7.657 0.00 . . . . . . . 96 ASP H . 27347 1 316 . 1 . 1 96 96 ASP CA C 13 56.932 0.09 . . . . . . . 96 ASP CA . 27347 1 317 . 1 . 1 96 96 ASP CB C 13 41.586 0.03 . . . . . . . 96 ASP CB . 27347 1 318 . 1 . 1 96 96 ASP N N 15 122.699 0.00 . . . . . . . 96 ASP N . 27347 1 319 . 1 . 1 97 97 LYS H H 1 7.982 0.00 . . . . . . . 97 LYS H . 27347 1 320 . 1 . 1 97 97 LYS CA C 13 59.761 0.04 . . . . . . . 97 LYS CA . 27347 1 321 . 1 . 1 97 97 LYS CB C 13 32.425 0.09 . . . . . . . 97 LYS CB . 27347 1 322 . 1 . 1 97 97 LYS N N 15 118.562 0.17 . . . . . . . 97 LYS N . 27347 1 323 . 1 . 1 98 98 ILE H H 1 7.729 0.00 . . . . . . . 98 ILE H . 27347 1 324 . 1 . 1 98 98 ILE CA C 13 64.464 0.02 . . . . . . . 98 ILE CA . 27347 1 325 . 1 . 1 98 98 ILE CB C 13 37.993 0.10 . . . . . . . 98 ILE CB . 27347 1 326 . 1 . 1 98 98 ILE N N 15 119.739 0.02 . . . . . . . 98 ILE N . 27347 1 327 . 1 . 1 99 99 ILE H H 1 7.584 0.00 . . . . . . . 99 ILE H . 27347 1 328 . 1 . 1 99 99 ILE CA C 13 65.981 0.03 . . . . . . . 99 ILE CA . 27347 1 329 . 1 . 1 99 99 ILE N N 15 121.223 0.10 . . . . . . . 99 ILE N . 27347 1 330 . 1 . 1 100 100 ARG H H 1 8.105 0.00 . . . . . . . 100 ARG H . 27347 1 331 . 1 . 1 100 100 ARG N N 15 118.422 0.00 . . . . . . . 100 ARG N . 27347 1 332 . 1 . 1 101 101 HIS H H 1 8.333 0.00 . . . . . . . 101 HIS H . 27347 1 333 . 1 . 1 101 101 HIS CA C 13 60.017 0.01 . . . . . . . 101 HIS CA . 27347 1 334 . 1 . 1 101 101 HIS CB C 13 30.878 0.13 . . . . . . . 101 HIS CB . 27347 1 335 . 1 . 1 101 101 HIS N N 15 119.348 0.00 . . . . . . . 101 HIS N . 27347 1 336 . 1 . 1 102 102 ARG H H 1 8.935 0.00 . . . . . . . 102 ARG H . 27347 1 337 . 1 . 1 102 102 ARG CA C 13 60.134 0.04 . . . . . . . 102 ARG CA . 27347 1 338 . 1 . 1 102 102 ARG CB C 13 30.457 0.13 . . . . . . . 102 ARG CB . 27347 1 339 . 1 . 1 102 102 ARG N N 15 122.082 0.00 . . . . . . . 102 ARG N . 27347 1 340 . 1 . 1 103 103 ALA H H 1 8.740 0.00 . . . . . . . 103 ALA H . 27347 1 341 . 1 . 1 103 103 ALA N N 15 122.849 0.00 . . . . . . . 103 ALA N . 27347 1 342 . 1 . 1 104 104 CYS CA C 13 63.281 0.07 . . . . . . . 104 CYS CA . 27347 1 343 . 1 . 1 104 104 CYS CB C 13 26.880 0.02 . . . . . . . 104 CYS CB . 27347 1 344 . 1 . 1 105 105 THR H H 1 8.365 0.00 . . . . . . . 105 THR H . 27347 1 345 . 1 . 1 105 105 THR CA C 13 66.792 0.00 . . . . . . . 105 THR CA . 27347 1 346 . 1 . 1 105 105 THR CB C 13 66.994 0.00 . . . . . . . 105 THR CB . 27347 1 347 . 1 . 1 105 105 THR N N 15 116.958 0.01 . . . . . . . 105 THR N . 27347 1 348 . 1 . 1 106 106 LEU H H 1 8.544 0.00 . . . . . . . 106 LEU H . 27347 1 349 . 1 . 1 106 106 LEU CA C 13 58.915 0.05 . . . . . . . 106 LEU CA . 27347 1 350 . 1 . 1 106 106 LEU CB C 13 39.452 0.04 . . . . . . . 106 LEU CB . 27347 1 351 . 1 . 1 106 106 LEU N N 15 129.616 0.03 . . . . . . . 106 LEU N . 27347 1 352 . 1 . 1 107 107 LYS H H 1 7.308 0.00 . . . . . . . 107 LYS H . 27347 1 353 . 1 . 1 107 107 LYS N N 15 119.166 0.00 . . . . . . . 107 LYS N . 27347 1 354 . 1 . 1 108 108 ASP H H 1 8.337 0.00 . . . . . . . 108 ASP H . 27347 1 355 . 1 . 1 108 108 ASP CA C 13 57.819 0.00 . . . . . . . 108 ASP CA . 27347 1 356 . 1 . 1 108 108 ASP CB C 13 40.509 0.13 . . . . . . . 108 ASP CB . 27347 1 357 . 1 . 1 108 108 ASP N N 15 118.330 0.05 . . . . . . . 108 ASP N . 27347 1 358 . 1 . 1 109 109 THR H H 1 8.577 0.00 . . . . . . . 109 THR H . 27347 1 359 . 1 . 1 109 109 THR CA C 13 67.340 0.02 . . . . . . . 109 THR CA . 27347 1 360 . 1 . 1 109 109 THR CB C 13 67.396 0.00 . . . . . . . 109 THR CB . 27347 1 361 . 1 . 1 109 109 THR N N 15 117.797 0.00 . . . . . . . 109 THR N . 27347 1 362 . 1 . 1 110 110 ALA H H 1 8.414 0.00 . . . . . . . 110 ALA H . 27347 1 363 . 1 . 1 110 110 ALA CA C 13 56.091 0.02 . . . . . . . 110 ALA CA . 27347 1 364 . 1 . 1 110 110 ALA CB C 13 19.602 0.05 . . . . . . . 110 ALA CB . 27347 1 365 . 1 . 1 110 110 ALA N N 15 122.939 0.00 . . . . . . . 110 ALA N . 27347 1 366 . 1 . 1 111 111 HIS H H 1 8.217 0.00 . . . . . . . 111 HIS H . 27347 1 367 . 1 . 1 111 111 HIS CA C 13 61.069 0.03 . . . . . . . 111 HIS CA . 27347 1 368 . 1 . 1 111 111 HIS N N 15 113.589 0.03 . . . . . . . 111 HIS N . 27347 1 369 . 1 . 1 112 112 ALA H H 1 8.186 0.00 . . . . . . . 112 ALA H . 27347 1 370 . 1 . 1 112 112 ALA CA C 13 55.337 0.02 . . . . . . . 112 ALA CA . 27347 1 371 . 1 . 1 112 112 ALA CB C 13 18.242 0.03 . . . . . . . 112 ALA CB . 27347 1 372 . 1 . 1 112 112 ALA N N 15 122.805 0.00 . . . . . . . 112 ALA N . 27347 1 373 . 1 . 1 113 113 ILE H H 1 8.487 0.00 . . . . . . . 113 ILE H . 27347 1 374 . 1 . 1 113 113 ILE CB C 13 38.490 0.02 . . . . . . . 113 ILE CB . 27347 1 375 . 1 . 1 113 113 ILE N N 15 121.045 0.00 . . . . . . . 113 ILE N . 27347 1 376 . 1 . 1 114 114 ILE H H 1 7.678 0.01 . . . . . . . 114 ILE H . 27347 1 377 . 1 . 1 114 114 ILE CA C 13 64.151 0.02 . . . . . . . 114 ILE CA . 27347 1 378 . 1 . 1 114 114 ILE CB C 13 35.913 0.06 . . . . . . . 114 ILE CB . 27347 1 379 . 1 . 1 114 114 ILE N N 15 118.460 0.07 . . . . . . . 114 ILE N . 27347 1 380 . 1 . 1 115 115 ALA H H 1 8.088 0.00 . . . . . . . 115 ALA H . 27347 1 381 . 1 . 1 115 115 ALA CA C 13 54.921 0.02 . . . . . . . 115 ALA CA . 27347 1 382 . 1 . 1 115 115 ALA CB C 13 18.390 0.08 . . . . . . . 115 ALA CB . 27347 1 383 . 1 . 1 115 115 ALA N N 15 119.592 0.00 . . . . . . . 115 ALA N . 27347 1 384 . 1 . 1 116 116 ALA H H 1 7.844 0.00 . . . . . . . 116 ALA H . 27347 1 385 . 1 . 1 116 116 ALA CA C 13 54.038 0.03 . . . . . . . 116 ALA CA . 27347 1 386 . 1 . 1 116 116 ALA CB C 13 20.234 0.04 . . . . . . . 116 ALA CB . 27347 1 387 . 1 . 1 116 116 ALA N N 15 117.014 0.00 . . . . . . . 116 ALA N . 27347 1 388 . 1 . 1 117 117 GLU H H 1 8.276 0.00 . . . . . . . 117 GLU H . 27347 1 389 . 1 . 1 117 117 GLU CA C 13 57.543 0.08 . . . . . . . 117 GLU CA . 27347 1 390 . 1 . 1 117 117 GLU CB C 13 31.961 0.04 . . . . . . . 117 GLU CB . 27347 1 391 . 1 . 1 117 117 GLU N N 15 113.886 0.02 . . . . . . . 117 GLU N . 27347 1 392 . 1 . 1 118 118 LEU H H 1 7.851 0.00 . . . . . . . 118 LEU H . 27347 1 393 . 1 . 1 118 118 LEU CA C 13 54.014 0.05 . . . . . . . 118 LEU CA . 27347 1 394 . 1 . 1 118 118 LEU CB C 13 43.270 0.03 . . . . . . . 118 LEU CB . 27347 1 395 . 1 . 1 118 118 LEU N N 15 120.761 0.00 . . . . . . . 118 LEU N . 27347 1 396 . 1 . 1 119 119 ASP H H 1 8.838 0.00 . . . . . . . 119 ASP H . 27347 1 397 . 1 . 1 119 119 ASP N N 15 131.915 0.00 . . . . . . . 119 ASP N . 27347 1 398 . 1 . 1 120 120 PRO CA C 13 65.272 0.00 . . . . . . . 120 PRO CA . 27347 1 399 . 1 . 1 120 120 PRO CB C 13 32.395 0.17 . . . . . . . 120 PRO CB . 27347 1 400 . 1 . 1 121 121 GLU H H 1 8.455 0.00 . . . . . . . 121 GLU H . 27347 1 401 . 1 . 1 121 121 GLU CA C 13 59.160 0.00 . . . . . . . 121 GLU CA . 27347 1 402 . 1 . 1 121 121 GLU CB C 13 28.772 0.05 . . . . . . . 121 GLU CB . 27347 1 403 . 1 . 1 121 121 GLU N N 15 120.042 0.00 . . . . . . . 121 GLU N . 27347 1 404 . 1 . 1 122 122 PHE H H 1 8.093 0.00 . . . . . . . 122 PHE H . 27347 1 405 . 1 . 1 122 122 PHE CA C 13 61.029 0.02 . . . . . . . 122 PHE CA . 27347 1 406 . 1 . 1 122 122 PHE CB C 13 39.446 0.10 . . . . . . . 122 PHE CB . 27347 1 407 . 1 . 1 122 122 PHE N N 15 123.611 0.10 . . . . . . . 122 PHE N . 27347 1 408 . 1 . 1 123 123 ASN H H 1 8.561 0.00 . . . . . . . 123 ASN H . 27347 1 409 . 1 . 1 123 123 ASN CA C 13 57.840 0.02 . . . . . . . 123 ASN CA . 27347 1 410 . 1 . 1 123 123 ASN CB C 13 39.147 0.10 . . . . . . . 123 ASN CB . 27347 1 411 . 1 . 1 123 123 ASN N N 15 116.850 0.01 . . . . . . . 123 ASN N . 27347 1 412 . 1 . 1 124 124 LYS H H 1 7.795 0.00 . . . . . . . 124 LYS H . 27347 1 413 . 1 . 1 124 124 LYS CA C 13 59.714 0.04 . . . . . . . 124 LYS CA . 27347 1 414 . 1 . 1 124 124 LYS CB C 13 32.267 0.05 . . . . . . . 124 LYS CB . 27347 1 415 . 1 . 1 124 124 LYS N N 15 118.793 0.00 . . . . . . . 124 LYS N . 27347 1 416 . 1 . 1 125 125 LEU H H 1 7.437 0.00 . . . . . . . 125 LEU H . 27347 1 417 . 1 . 1 125 125 LEU CA C 13 58.009 0.06 . . . . . . . 125 LEU CA . 27347 1 418 . 1 . 1 125 125 LEU CB C 13 41.717 0.07 . . . . . . . 125 LEU CB . 27347 1 419 . 1 . 1 125 125 LEU N N 15 119.298 0.00 . . . . . . . 125 LEU N . 27347 1 420 . 1 . 1 126 126 CYS H H 1 7.460 0.00 . . . . . . . 126 CYS H . 27347 1 421 . 1 . 1 126 126 CYS CA C 13 63.792 0.04 . . . . . . . 126 CYS CA . 27347 1 422 . 1 . 1 126 126 CYS CB C 13 26.418 0.08 . . . . . . . 126 CYS CB . 27347 1 423 . 1 . 1 126 126 CYS N N 15 116.623 0.02 . . . . . . . 126 CYS N . 27347 1 424 . 1 . 1 127 127 GLU H H 1 8.162 0.00 . . . . . . . 127 GLU H . 27347 1 425 . 1 . 1 127 127 GLU CA C 13 59.858 0.00 . . . . . . . 127 GLU CA . 27347 1 426 . 1 . 1 127 127 GLU CB C 13 28.944 0.00 . . . . . . . 127 GLU CB . 27347 1 427 . 1 . 1 127 127 GLU N N 15 118.187 0.03 . . . . . . . 127 GLU N . 27347 1 428 . 1 . 1 128 128 GLU H H 1 8.284 0.00 . . . . . . . 128 GLU H . 27347 1 429 . 1 . 1 128 128 GLU CA C 13 59.593 0.09 . . . . . . . 128 GLU CA . 27347 1 430 . 1 . 1 128 128 GLU CB C 13 29.231 0.10 . . . . . . . 128 GLU CB . 27347 1 431 . 1 . 1 128 128 GLU N N 15 120.637 0.00 . . . . . . . 128 GLU N . 27347 1 432 . 1 . 1 129 129 ILE H H 1 8.072 0.00 . . . . . . . 129 ILE H . 27347 1 433 . 1 . 1 129 129 ILE CA C 13 65.578 0.03 . . . . . . . 129 ILE CA . 27347 1 434 . 1 . 1 129 129 ILE CB C 13 38.150 0.05 . . . . . . . 129 ILE CB . 27347 1 435 . 1 . 1 129 129 ILE N N 15 123.057 0.04 . . . . . . . 129 ILE N . 27347 1 436 . 1 . 1 130 130 LYS H H 1 8.227 0.00 . . . . . . . 130 LYS H . 27347 1 437 . 1 . 1 130 130 LYS CA C 13 60.261 0.00 . . . . . . . 130 LYS CA . 27347 1 438 . 1 . 1 130 130 LYS CB C 13 32.223 0.10 . . . . . . . 130 LYS CB . 27347 1 439 . 1 . 1 130 130 LYS N N 15 119.842 0.00 . . . . . . . 130 LYS N . 27347 1 440 . 1 . 1 131 131 GLU H H 1 7.982 0.00 . . . . . . . 131 GLU H . 27347 1 441 . 1 . 1 131 131 GLU CA C 13 58.830 0.02 . . . . . . . 131 GLU CA . 27347 1 442 . 1 . 1 131 131 GLU CB C 13 29.385 0.21 . . . . . . . 131 GLU CB . 27347 1 443 . 1 . 1 131 131 GLU N N 15 116.800 0.00 . . . . . . . 131 GLU N . 27347 1 444 . 1 . 1 132 132 ALA H H 1 7.844 0.00 . . . . . . . 132 ALA H . 27347 1 445 . 1 . 1 132 132 ALA CA C 13 54.382 0.05 . . . . . . . 132 ALA CA . 27347 1 446 . 1 . 1 132 132 ALA CB C 13 18.459 0.06 . . . . . . . 132 ALA CB . 27347 1 447 . 1 . 1 132 132 ALA N N 15 120.125 0.05 . . . . . . . 132 ALA N . 27347 1 448 . 1 . 1 133 133 ARG H H 1 8.095 0.00 . . . . . . . 133 ARG H . 27347 1 449 . 1 . 1 133 133 ARG CA C 13 58.417 0.05 . . . . . . . 133 ARG CA . 27347 1 450 . 1 . 1 133 133 ARG CB C 13 30.565 0.05 . . . . . . . 133 ARG CB . 27347 1 451 . 1 . 1 133 133 ARG N N 15 116.447 0.03 . . . . . . . 133 ARG N . 27347 1 452 . 1 . 1 134 134 ILE H H 1 7.779 0.00 . . . . . . . 134 ILE H . 27347 1 453 . 1 . 1 134 134 ILE CA C 13 62.833 0.01 . . . . . . . 134 ILE CA . 27347 1 454 . 1 . 1 134 134 ILE CB C 13 38.194 0.02 . . . . . . . 134 ILE CB . 27347 1 455 . 1 . 1 134 134 ILE N N 15 118.460 0.00 . . . . . . . 134 ILE N . 27347 1 456 . 1 . 1 135 135 LYS H H 1 7.632 0.00 . . . . . . . 135 LYS H . 27347 1 457 . 1 . 1 135 135 LYS CA C 13 56.278 0.01 . . . . . . . 135 LYS CA . 27347 1 458 . 1 . 1 135 135 LYS CB C 13 32.902 0.02 . . . . . . . 135 LYS CB . 27347 1 459 . 1 . 1 135 135 LYS N N 15 121.890 0.00 . . . . . . . 135 LYS N . 27347 1 460 . 1 . 1 136 136 ARG H H 1 7.640 0.00 . . . . . . . 136 ARG H . 27347 1 461 . 1 . 1 136 136 ARG N N 15 127.438 0.00 . . . . . . . 136 ARG N . 27347 1 stop_ save_