data_52439 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52439 _Entry.Title ; NMR assignment of the S254D/S260D variant of human Nucleophosmin DNA-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-01 _Entry.Accession_date 2024-05-01 _Entry.Last_release_date 2024-05-01 _Entry.Original_release_date 2024-05-01 _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 'Backbone 1H and 15N chemical-shift assignments of the phosphomimetic S254D/S260D NPM1 DNA-binding domain' _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 Pablo Rivero-Garcia . . . 0009-0002-2454-4056 52439 2 Rafael Giner-Arroyo . L. . 0000-0003-2651-7916 52439 3 Joaquin Tamargo-Azpilicueta . . . 0000-0001-8504-4472 52439 4 Abbey Telfer . . . 0000-0002-7525-8052 52439 5 Elisa Frezza . . . 0000-0003-0122-7859 52439 6 Adrian Velazquez-Campoy . . . 0000-0001-5702-4538 52439 7 Sofia Diaz-Moreno . . . 0000-0001-7616-6515 52439 8 Miguel 'De la Rosa' . A. . 0000-0003-1187-5737 52439 9 Irene Diaz-Moreno . . . 0000-0002-5318-7644 52439 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biointeractomics Lab, University of Seville - CSIC' . 52439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 58 52439 '1H chemical shifts' 58 52439 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 . . 2026-01-26 . original BMRB . 52439 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52438 'Y271pCMF variant of human Nucleophosmin DNA-binding domain' 52439 PDB 2LLH 'NMR structure of wild-type Npm1_c70' 52439 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52439 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multisite phosphorylation of the AML-linked C-terminal of nucleophosmin (NPM1) orchestrates protein stability, DNA binding, and charge block-driven phase separation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pablo Rivero-Garcia . . . . 52439 1 2 Rafael Giner-Arroyo . L. . . 52439 1 3 Joaquin Tamargo-Azpilicueta . . . . 52439 1 4 Abbey Telfer . . . . 52439 1 5 Elisa Frezza . . . . 52439 1 6 Adrian Velazquez-Campoy . . . . 52439 1 7 Sofia Diaz-Moreno . . . . 52439 1 8 Miguel 'De la Rosa' . A. . . 52439 1 9 Irene Diaz-Moreno . . . . 52439 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Acute myeloid leukemia' 52439 1 'DNA/RNA binding protein' 52439 1 'Histone chaperone' 52439 1 'Nuclear Magnetic Resonance' 52439 1 'Nucleolus, Nucleophosmin' 52439 1 'Phosphomimetic mutants' 52439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52439 _Assembly.ID 1 _Assembly.Name 'NPM1 C70 S254D/S260D' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10309.73 _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 'NPM1 C70 S254D/S260D' 1 $entity_1 . . yes native no no . . . 52439 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA/RNA binding' 52439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGSSHHHHHHSSGLVPRGSH MESFKKQEKTPKTPKGPSSV EDIKAKMQADIEKGGDLPKV EAKFINYVKNCFRMTDQEAI QDLWQWRKSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Residues are identified with numbers ranging 2-70, starting at (2) ESFK... and ending at ...WRKSL (70), both sequences included. ; _Entity.Polymer_author_seq_details ; Polyhistidine tag is included in the reference sequence, although not included in the assignment. ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C70, C-end DNA-binding domain' _Entity.Mutation S254D/S260D _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10309.73 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The molecular entity name, NPM1 C70 S254/S260, refers to a phosphomimetic variant of the C-end domain of the NPM, with mutations at positions 30 and 36 in the C70 construct. ; _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 'DNA/RNA-binding domain' 52439 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 -19 MET . 52439 1 2 -18 GLY . 52439 1 3 -17 SER . 52439 1 4 -16 SER . 52439 1 5 -15 HIS . 52439 1 6 -14 HIS . 52439 1 7 -13 HIS . 52439 1 8 -12 HIS . 52439 1 9 -11 HIS . 52439 1 10 -10 HIS . 52439 1 11 -9 SER . 52439 1 12 -8 SER . 52439 1 13 -7 GLY . 52439 1 14 -6 LEU . 52439 1 15 -5 VAL . 52439 1 16 -4 PRO . 52439 1 17 -3 ARG . 52439 1 18 -2 GLY . 52439 1 19 -1 SER . 52439 1 20 0 HIS . 52439 1 21 1 MET . 52439 1 22 2 GLU . 52439 1 23 3 SER . 52439 1 24 4 PHE . 52439 1 25 5 LYS . 52439 1 26 6 LYS . 52439 1 27 7 GLN . 52439 1 28 8 GLU . 52439 1 29 9 LYS . 52439 1 30 10 THR . 52439 1 31 11 PRO . 52439 1 32 12 LYS . 52439 1 33 13 THR . 52439 1 34 14 PRO . 52439 1 35 15 LYS . 52439 1 36 16 GLY . 52439 1 37 17 PRO . 52439 1 38 18 SER . 52439 1 39 19 SER . 52439 1 40 20 VAL . 52439 1 41 21 GLU . 52439 1 42 22 ASP . 52439 1 43 23 ILE . 52439 1 44 24 LYS . 52439 1 45 25 ALA . 52439 1 46 26 LYS . 52439 1 47 27 MET . 52439 1 48 28 GLN . 52439 1 49 29 ALA . 52439 1 50 30 ASP . 52439 1 51 31 ILE . 52439 1 52 32 GLU . 52439 1 53 33 LYS . 52439 1 54 34 GLY . 52439 1 55 35 GLY . 52439 1 56 36 ASP . 52439 1 57 37 LEU . 52439 1 58 38 PRO . 52439 1 59 39 LYS . 52439 1 60 40 VAL . 52439 1 61 41 GLU . 52439 1 62 42 ALA . 52439 1 63 43 LYS . 52439 1 64 44 PHE . 52439 1 65 45 ILE . 52439 1 66 46 ASN . 52439 1 67 47 TYR . 52439 1 68 48 VAL . 52439 1 69 49 LYS . 52439 1 70 50 ASN . 52439 1 71 51 CYS . 52439 1 72 52 PHE . 52439 1 73 53 ARG . 52439 1 74 54 MET . 52439 1 75 55 THR . 52439 1 76 56 ASP . 52439 1 77 57 GLN . 52439 1 78 58 GLU . 52439 1 79 59 ALA . 52439 1 80 60 ILE . 52439 1 81 61 GLN . 52439 1 82 62 ASP . 52439 1 83 63 LEU . 52439 1 84 64 TRP . 52439 1 85 65 GLN . 52439 1 86 66 TRP . 52439 1 87 67 ARG . 52439 1 88 68 LYS . 52439 1 89 69 SER . 52439 1 90 70 LEU . 52439 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52439 1 . GLY 2 2 52439 1 . SER 3 3 52439 1 . SER 4 4 52439 1 . HIS 5 5 52439 1 . HIS 6 6 52439 1 . HIS 7 7 52439 1 . HIS 8 8 52439 1 . HIS 9 9 52439 1 . HIS 10 10 52439 1 . SER 11 11 52439 1 . SER 12 12 52439 1 . GLY 13 13 52439 1 . LEU 14 14 52439 1 . VAL 15 15 52439 1 . PRO 16 16 52439 1 . ARG 17 17 52439 1 . GLY 18 18 52439 1 . SER 19 19 52439 1 . HIS 20 20 52439 1 . MET 21 21 52439 1 . GLU 22 22 52439 1 . SER 23 23 52439 1 . PHE 24 24 52439 1 . LYS 25 25 52439 1 . LYS 26 26 52439 1 . GLN 27 27 52439 1 . GLU 28 28 52439 1 . LYS 29 29 52439 1 . THR 30 30 52439 1 . PRO 31 31 52439 1 . LYS 32 32 52439 1 . THR 33 33 52439 1 . PRO 34 34 52439 1 . LYS 35 35 52439 1 . GLY 36 36 52439 1 . PRO 37 37 52439 1 . SER 38 38 52439 1 . SER 39 39 52439 1 . VAL 40 40 52439 1 . GLU 41 41 52439 1 . ASP 42 42 52439 1 . ILE 43 43 52439 1 . LYS 44 44 52439 1 . ALA 45 45 52439 1 . LYS 46 46 52439 1 . MET 47 47 52439 1 . GLN 48 48 52439 1 . ALA 49 49 52439 1 . ASP 50 50 52439 1 . ILE 51 51 52439 1 . GLU 52 52 52439 1 . LYS 53 53 52439 1 . GLY 54 54 52439 1 . GLY 55 55 52439 1 . ASP 56 56 52439 1 . LEU 57 57 52439 1 . PRO 58 58 52439 1 . LYS 59 59 52439 1 . VAL 60 60 52439 1 . GLU 61 61 52439 1 . ALA 62 62 52439 1 . LYS 63 63 52439 1 . PHE 64 64 52439 1 . ILE 65 65 52439 1 . ASN 66 66 52439 1 . TYR 67 67 52439 1 . VAL 68 68 52439 1 . LYS 69 69 52439 1 . ASN 70 70 52439 1 . CYS 71 71 52439 1 . PHE 72 72 52439 1 . ARG 73 73 52439 1 . MET 74 74 52439 1 . THR 75 75 52439 1 . ASP 76 76 52439 1 . GLN 77 77 52439 1 . GLU 78 78 52439 1 . ALA 79 79 52439 1 . ILE 80 80 52439 1 . GLN 81 81 52439 1 . ASP 82 82 52439 1 . LEU 83 83 52439 1 . TRP 84 84 52439 1 . GLN 85 85 52439 1 . TRP 86 86 52439 1 . ARG 87 87 52439 1 . LYS 88 88 52439 1 . SER 89 89 52439 1 . LEU 90 90 52439 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52439 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . NPM1 'Gene ID: 4869' 52439 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52439 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli B BL21(DE3) . plasmid . . pET28+(a) . . . 52439 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52439 _Sample.ID 1 _Sample.Name '15N NPM1 C70 S254D/S260D 500 uM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'NPM1 C70 S254D/S260D' '[U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52439 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 52439 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52439 1 4 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 52439 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52439 _Sample.ID 2 _Sample.Name '15N NPM1 C70 S254D/S260D 600-700 uM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'NPM1 C70 S254D/S260D' '[U-100% 15N]' . . 1 $entity_1 . . 650 600 700 uM . . . . 52439 2 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 52439 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52439 2 4 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 52439 2 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 52439 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Temperature 298K' _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' 20 . mM 52439 1 pH 7.2 . pH 52439 1 pressure 1 . atm 52439 1 temperature 298 . K 52439 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52439 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details 'Powered by POKY software' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52439 1 'chemical shift calculation' . 52439 1 'peak picking' . 52439 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52439 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52439 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52439 _Software.ID 3 _Software.Type . _Software.Name Origin _Software.Version 8.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 52439 3 'data analysis' . 52439 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 500 MHz' _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52439 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52439 1 2 '3D 1H-15N NOESY-HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52439 1 3 '3D 1H-15N TOCSY-HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52439 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52439 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NPM1 C70 S254D/S260D' _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 H 1 na protons . . . . na 0 na direct 1 . . . . . 52439 1 N 15 na nitrogen . . . . na 0 na direct 1 . . . . . 52439 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52439 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NPM1 C70 S254D/S260D' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52439 1 2 '3D 1H-15N NOESY-HSQC' . . . 52439 1 3 '3D 1H-15N TOCSY-HSQC' . . . 52439 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 $software_1 . . 52439 1 2 $software_2 . . 52439 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 25 25 LYS H H 1 7.994 0.00 . 1 . . . . . 5 LYS H . 52439 1 2 . 1 . 1 25 25 LYS N N 15 122.542 0.06 . 1 . . . . . 5 LYS N . 52439 1 3 . 1 . 1 26 26 LYS H H 1 8.162 0.00 . 1 . . . . . 6 LYS H . 52439 1 4 . 1 . 1 26 26 LYS N N 15 122.894 0.00 . 1 . . . . . 6 LYS N . 52439 1 5 . 1 . 1 29 29 LYS H H 1 8.385 0.00 . 1 . . . . . 9 LYS H . 52439 1 6 . 1 . 1 29 29 LYS N N 15 123.118 0.00 . 1 . . . . . 9 LYS N . 52439 1 7 . 1 . 1 30 30 THR H H 1 8.140 0.00 . 1 . . . . . 10 THR H . 52439 1 8 . 1 . 1 30 30 THR N N 15 117.900 0.00 . 1 . . . . . 10 THR N . 52439 1 9 . 1 . 1 32 32 LYS H H 1 8.398 0.00 . 1 . . . . . 12 LYS H . 52439 1 10 . 1 . 1 32 32 LYS N N 15 121.904 0.00 . 1 . . . . . 12 LYS N . 52439 1 11 . 1 . 1 33 33 THR H H 1 7.948 0.00 . 1 . . . . . 13 THR H . 52439 1 12 . 1 . 1 33 33 THR N N 15 115.734 0.13 . 1 . . . . . 13 THR N . 52439 1 13 . 1 . 1 35 35 LYS H H 1 8.345 0.00 . 1 . . . . . 15 LYS H . 52439 1 14 . 1 . 1 35 35 LYS N N 15 121.942 0.00 . 1 . . . . . 15 LYS N . 52439 1 15 . 1 . 1 36 36 GLY H H 1 8.225 0.00 . 1 . . . . . 16 GLY H . 52439 1 16 . 1 . 1 36 36 GLY N N 15 110.352 0.00 . 1 . . . . . 16 GLY N . 52439 1 17 . 1 . 1 38 38 SER H H 1 8.570 0.00 . 1 . . . . . 18 SER H . 52439 1 18 . 1 . 1 38 38 SER N N 15 116.754 0.00 . 1 . . . . . 18 SER N . 52439 1 19 . 1 . 1 39 39 SER H H 1 8.509 0.00 . 1 . . . . . 19 SER H . 52439 1 20 . 1 . 1 39 39 SER N N 15 118.077 0.00 . 1 . . . . . 19 SER N . 52439 1 21 . 1 . 1 40 40 VAL H H 1 8.412 0.01 . 1 . . . . . 20 VAL H . 52439 1 22 . 1 . 1 40 40 VAL N N 15 121.078 0.09 . 1 . . . . . 20 VAL N . 52439 1 23 . 1 . 1 41 41 GLU H H 1 8.216 0.00 . 1 . . . . . 21 GLU H . 52439 1 24 . 1 . 1 41 41 GLU N N 15 118.992 0.02 . 1 . . . . . 21 GLU N . 52439 1 25 . 1 . 1 42 42 ASP H H 1 7.798 0.00 . 1 . . . . . 22 ASP H . 52439 1 26 . 1 . 1 42 42 ASP N N 15 120.602 0.00 . 1 . . . . . 22 ASP N . 52439 1 27 . 1 . 1 43 43 ILE H H 1 7.758 0.01 . 1 . . . . . 23 ILE H . 52439 1 28 . 1 . 1 43 43 ILE N N 15 122.301 0.00 . 1 . . . . . 23 ILE N . 52439 1 29 . 1 . 1 44 44 LYS H H 1 8.054 0.00 . 1 . . . . . 24 LYS H . 52439 1 30 . 1 . 1 44 44 LYS N N 15 119.927 0.00 . 1 . . . . . 24 LYS N . 52439 1 31 . 1 . 1 45 45 ALA H H 1 7.449 0.00 . 1 . . . . . 25 ALA H . 52439 1 32 . 1 . 1 45 45 ALA N N 15 118.939 0.04 . 1 . . . . . 25 ALA N . 52439 1 33 . 1 . 1 46 46 LYS H H 1 7.653 0.00 . 1 . . . . . 26 LYS H . 52439 1 34 . 1 . 1 46 46 LYS N N 15 120.780 0.03 . 1 . . . . . 26 LYS N . 52439 1 35 . 1 . 1 47 47 MET H H 1 8.565 0.00 . 1 . . . . . 27 MET H . 52439 1 36 . 1 . 1 47 47 MET N N 15 119.157 0.00 . 1 . . . . . 27 MET N . 52439 1 37 . 1 . 1 48 48 GLN H H 1 8.869 0.00 . 1 . . . . . 28 GLN H . 52439 1 38 . 1 . 1 48 48 GLN N N 15 118.299 0.03 . 1 . . . . . 28 GLN N . 52439 1 39 . 1 . 1 49 49 ALA H H 1 7.805 0.00 . 1 . . . . . 29 ALA H . 52439 1 40 . 1 . 1 49 49 ALA N N 15 121.898 0.03 . 1 . . . . . 29 ALA N . 52439 1 41 . 1 . 1 50 50 ASP H H 1 8.167 0.00 . 1 . . . . . 30 ASP H . 52439 1 42 . 1 . 1 50 50 ASP N N 15 119.463 0.00 . 1 . . . . . 30 ASP N . 52439 1 43 . 1 . 1 51 51 ILE H H 1 8.319 0.01 . 1 . . . . . 31 ILE H . 52439 1 44 . 1 . 1 51 51 ILE N N 15 121.967 0.02 . 1 . . . . . 31 ILE N . 52439 1 45 . 1 . 1 52 52 GLU H H 1 8.232 0.00 . 1 . . . . . 32 GLU H . 52439 1 46 . 1 . 1 52 52 GLU N N 15 122.225 0.01 . 1 . . . . . 32 GLU N . 52439 1 47 . 1 . 1 53 53 LYS H H 1 7.413 0.00 . 1 . . . . . 33 LYS H . 52439 1 48 . 1 . 1 53 53 LYS N N 15 116.453 0.03 . 1 . . . . . 33 LYS N . 52439 1 49 . 1 . 1 54 54 GLY H H 1 7.880 0.00 . 1 . . . . . 34 GLY H . 52439 1 50 . 1 . 1 54 54 GLY N N 15 107.381 0.38 . 1 . . . . . 34 GLY N . 52439 1 51 . 1 . 1 55 55 GLY H H 1 8.353 0.00 . 1 . . . . . 35 GLY H . 52439 1 52 . 1 . 1 55 55 GLY N N 15 109.569 0.02 . 1 . . . . . 35 GLY N . 52439 1 53 . 1 . 1 60 60 VAL H H 1 6.954 0.00 . 1 . . . . . 40 VAL H . 52439 1 54 . 1 . 1 60 60 VAL N N 15 118.816 0.00 . 1 . . . . . 40 VAL N . 52439 1 55 . 1 . 1 61 61 GLU H H 1 8.815 0.01 . 1 . . . . . 41 GLU H . 52439 1 56 . 1 . 1 61 61 GLU N N 15 132.005 0.02 . 1 . . . . . 41 GLU N . 52439 1 57 . 1 . 1 62 62 ALA H H 1 8.660 0.00 . 1 . . . . . 42 ALA H . 52439 1 58 . 1 . 1 62 62 ALA N N 15 118.020 0.02 . 1 . . . . . 42 ALA N . 52439 1 59 . 1 . 1 63 63 LYS H H 1 6.572 0.00 . 1 . . . . . 43 LYS H . 52439 1 60 . 1 . 1 63 63 LYS N N 15 113.873 0.01 . 1 . . . . . 43 LYS N . 52439 1 61 . 1 . 1 64 64 PHE H H 1 8.617 0.00 . 1 . . . . . 44 PHE H . 52439 1 62 . 1 . 1 64 64 PHE N N 15 123.682 0.00 . 1 . . . . . 44 PHE N . 52439 1 63 . 1 . 1 65 65 ILE H H 1 8.698 0.00 . 1 . . . . . 45 ILE H . 52439 1 64 . 1 . 1 65 65 ILE N N 15 119.893 0.02 . 1 . . . . . 45 ILE N . 52439 1 65 . 1 . 1 66 66 ASN H H 1 7.330 0.00 . 1 . . . . . 46 ASN H . 52439 1 66 . 1 . 1 66 66 ASN N N 15 116.174 0.01 . 1 . . . . . 46 ASN N . 52439 1 67 . 1 . 1 67 67 TYR H H 1 7.866 0.00 . 1 . . . . . 47 TYR H . 52439 1 68 . 1 . 1 67 67 TYR N N 15 121.196 0.00 . 1 . . . . . 47 TYR N . 52439 1 69 . 1 . 1 68 68 VAL H H 1 8.294 0.00 . 1 . . . . . 48 VAL H . 52439 1 70 . 1 . 1 68 68 VAL N N 15 117.953 0.01 . 1 . . . . . 48 VAL N . 52439 1 71 . 1 . 1 69 69 LYS H H 1 8.111 0.00 . 1 . . . . . 49 LYS H . 52439 1 72 . 1 . 1 69 69 LYS N N 15 120.033 0.00 . 1 . . . . . 49 LYS N . 52439 1 73 . 1 . 1 70 70 ASN H H 1 8.061 0.00 . 1 . . . . . 50 ASN H . 52439 1 74 . 1 . 1 70 70 ASN N N 15 115.864 0.03 . 1 . . . . . 50 ASN N . 52439 1 75 . 1 . 1 71 71 CYS H H 1 8.491 0.00 . 1 . . . . . 51 CYS H . 52439 1 76 . 1 . 1 71 71 CYS N N 15 116.105 0.00 . 1 . . . . . 51 CYS N . 52439 1 77 . 1 . 1 72 72 PHE H H 1 7.304 0.01 . 1 . . . . . 52 PHE H . 52439 1 78 . 1 . 1 72 72 PHE N N 15 113.160 0.01 . 1 . . . . . 52 PHE N . 52439 1 79 . 1 . 1 73 73 ARG H H 1 7.250 0.00 . 1 . . . . . 53 ARG H . 52439 1 80 . 1 . 1 73 73 ARG N N 15 114.793 0.04 . 1 . . . . . 53 ARG N . 52439 1 81 . 1 . 1 74 74 MET H H 1 6.815 0.00 . 1 . . . . . 54 MET H . 52439 1 82 . 1 . 1 74 74 MET N N 15 117.040 0.02 . 1 . . . . . 54 MET N . 52439 1 83 . 1 . 1 76 76 ASP H H 1 7.510 0.00 . 1 . . . . . 56 ASP H . 52439 1 84 . 1 . 1 76 76 ASP N N 15 123.952 0.03 . 1 . . . . . 56 ASP N . 52439 1 85 . 1 . 1 77 77 GLN H H 1 8.891 0.00 . 1 . . . . . 57 GLN H . 52439 1 86 . 1 . 1 77 77 GLN N N 15 126.787 0.01 . 1 . . . . . 57 GLN N . 52439 1 87 . 1 . 1 78 78 GLU H H 1 8.254 0.00 . 1 . . . . . 58 GLU H . 52439 1 88 . 1 . 1 78 78 GLU N N 15 119.732 0.01 . 1 . . . . . 58 GLU N . 52439 1 89 . 1 . 1 79 79 ALA H H 1 7.745 0.00 . 1 . . . . . 59 ALA H . 52439 1 90 . 1 . 1 79 79 ALA N N 15 123.520 0.00 . 1 . . . . . 59 ALA N . 52439 1 91 . 1 . 1 80 80 ILE H H 1 8.150 0.00 . 1 . . . . . 60 ILE H . 52439 1 92 . 1 . 1 80 80 ILE N N 15 117.716 0.04 . 1 . . . . . 60 ILE N . 52439 1 93 . 1 . 1 81 81 GLN H H 1 8.040 0.00 . 1 . . . . . 61 GLN H . 52439 1 94 . 1 . 1 81 81 GLN N N 15 119.169 0.02 . 1 . . . . . 61 GLN N . 52439 1 95 . 1 . 1 82 82 ASP H H 1 8.050 0.00 . 1 . . . . . 62 ASP H . 52439 1 96 . 1 . 1 82 82 ASP N N 15 121.129 0.04 . 1 . . . . . 62 ASP N . 52439 1 97 . 1 . 1 83 83 LEU H H 1 8.228 0.00 . 1 . . . . . 63 LEU H . 52439 1 98 . 1 . 1 83 83 LEU N N 15 120.861 0.02 . 1 . . . . . 63 LEU N . 52439 1 99 . 1 . 1 84 84 TRP H H 1 8.884 0.00 . 1 . . . . . 64 TRP H . 52439 1 100 . 1 . 1 84 84 TRP HE1 H 1 9.838 0.00 . 1 . . . . . 64 TRP HE1 . 52439 1 101 . 1 . 1 84 84 TRP N N 15 122.534 0.02 . 1 . . . . . 64 TRP N . 52439 1 102 . 1 . 1 84 84 TRP NE1 N 15 127.760 0.02 . 1 . . . . . 64 TRP NE1 . 52439 1 103 . 1 . 1 85 85 GLN H H 1 8.317 0.00 . 1 . . . . . 65 GLN H . 52439 1 104 . 1 . 1 85 85 GLN N N 15 116.959 0.04 . 1 . . . . . 65 GLN N . 52439 1 105 . 1 . 1 86 86 TRP H H 1 7.760 0.00 . 1 . . . . . 66 TRP H . 52439 1 106 . 1 . 1 86 86 TRP HE1 H 1 10.125 0.00 . 1 . . . . . 66 TRP HE1 . 52439 1 107 . 1 . 1 86 86 TRP N N 15 119.576 0.02 . 1 . . . . . 66 TRP N . 52439 1 108 . 1 . 1 86 86 TRP NE1 N 15 130.599 0.03 . 1 . . . . . 66 TRP NE1 . 52439 1 109 . 1 . 1 87 87 ARG H H 1 8.679 0.00 . 1 . . . . . 67 ARG H . 52439 1 110 . 1 . 1 87 87 ARG N N 15 122.506 0.01 . 1 . . . . . 67 ARG N . 52439 1 111 . 1 . 1 88 88 LYS H H 1 7.910 0.00 . 1 . . . . . 68 LYS H . 52439 1 112 . 1 . 1 88 88 LYS N N 15 118.409 0.03 . 1 . . . . . 68 LYS N . 52439 1 113 . 1 . 1 89 89 SER H H 1 7.062 0.00 . 1 . . . . . 69 SER H . 52439 1 114 . 1 . 1 89 89 SER N N 15 114.930 0.01 . 1 . . . . . 69 SER N . 52439 1 115 . 1 . 1 90 90 LEU H H 1 6.628 0.00 . 1 . . . . . 70 LEU H . 52439 1 116 . 1 . 1 90 90 LEU N N 15 127.898 0.01 . 1 . . . . . 70 LEU N . 52439 1 stop_ save_