data_51787 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51787 _Entry.Title ; Rec114:Mei4 minimal structured complex at pH 7.4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-18 _Entry.Accession_date 2023-01-18 _Entry.Last_release_date 2023-01-18 _Entry.Original_release_date 2023-01-18 _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 'Solution NMR assignments for the 2:1 complex of the C-terminus of Rec114(375-428) and N-terminus of Mei4(1-43).' _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 Kaixian Liu . . . . 51787 2 Emily Grasso . M. . . 51787 3 Stephen Pu . . . . 51787 4 Shixin Liu . . . . 51787 5 David Eliezer . . . . 51787 6 Scott Keeney . . . . 51787 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Weill Cornell Medicine' . 51787 2 . 'Memorial Sloan Kettering Cancer Center' . 51787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 51787 '15N chemical shifts' 93 51787 '1H chemical shifts' 93 51787 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 . . 2023-03-07 . original BMRB . 51787 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51786 'Solution NMR assignments for the 2:1 complex of the C-terminus of Rec114(388-428) and N-terminus of Mei4(13-43).' 51787 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51787 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36711595 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and DNA bridging activity of the essential Rec114-Mei4 trimer interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _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 2023 _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 Kaixian Liu . . . . 51787 1 2 Emily Grasso . M. . . 51787 1 3 Stephen Pu . . . . 51787 1 4 Shixin Liu . . . . 51787 1 5 David Eliezer . . . . 51787 1 6 Scott Keeney . . . . 51787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51787 _Assembly.ID 1 _Assembly.Name 'Rec114:Mei4 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 18000 _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 Mei4 1 $entity_1 . . yes native no no . . . 51787 1 2 Rec114 2 $entity_2 . . yes native no no . . . 51787 1 3 Rec114b 2 $entity_2 . . yes native no no . . . 51787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51787 _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 ; MSRGKLEDMEQKETSEVDWI ICFALIQSRNPTLWKRALSR KKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Begins at residue M1 of Mei4' _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 ; These proteins are part of a heterotrimeric complex with two copies of the C-terminus of Rec114 that have distinct chemical shifts and one copy of the N-terminus of Mei4. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51787 1 2 . SER . 51787 1 3 . ARG . 51787 1 4 . GLY . 51787 1 5 . LYS . 51787 1 6 . LEU . 51787 1 7 . GLU . 51787 1 8 . ASP . 51787 1 9 . MET . 51787 1 10 . GLU . 51787 1 11 . GLN . 51787 1 12 . LYS . 51787 1 13 . GLU . 51787 1 14 . THR . 51787 1 15 . SER . 51787 1 16 . GLU . 51787 1 17 . VAL . 51787 1 18 . ASP . 51787 1 19 . TRP . 51787 1 20 . ILE . 51787 1 21 . ILE . 51787 1 22 . CYS . 51787 1 23 . PHE . 51787 1 24 . ALA . 51787 1 25 . LEU . 51787 1 26 . ILE . 51787 1 27 . GLN . 51787 1 28 . SER . 51787 1 29 . ARG . 51787 1 30 . ASN . 51787 1 31 . PRO . 51787 1 32 . THR . 51787 1 33 . LEU . 51787 1 34 . TRP . 51787 1 35 . LYS . 51787 1 36 . ARG . 51787 1 37 . ALA . 51787 1 38 . LEU . 51787 1 39 . SER . 51787 1 40 . ARG . 51787 1 41 . LYS . 51787 1 42 . LYS . 51787 1 43 . GLY . 51787 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 51787 1 . SER 2 2 51787 1 . ARG 3 3 51787 1 . GLY 4 4 51787 1 . LYS 5 5 51787 1 . LEU 6 6 51787 1 . GLU 7 7 51787 1 . ASP 8 8 51787 1 . MET 9 9 51787 1 . GLU 10 10 51787 1 . GLN 11 11 51787 1 . LYS 12 12 51787 1 . GLU 13 13 51787 1 . THR 14 14 51787 1 . SER 15 15 51787 1 . GLU 16 16 51787 1 . VAL 17 17 51787 1 . ASP 18 18 51787 1 . TRP 19 19 51787 1 . ILE 20 20 51787 1 . ILE 21 21 51787 1 . CYS 22 22 51787 1 . PHE 23 23 51787 1 . ALA 24 24 51787 1 . LEU 25 25 51787 1 . ILE 26 26 51787 1 . GLN 27 27 51787 1 . SER 28 28 51787 1 . ARG 29 29 51787 1 . ASN 30 30 51787 1 . PRO 31 31 51787 1 . THR 32 32 51787 1 . LEU 33 33 51787 1 . TRP 34 34 51787 1 . LYS 35 35 51787 1 . ARG 36 36 51787 1 . ALA 37 37 51787 1 . LEU 38 38 51787 1 . SER 39 39 51787 1 . ARG 40 40 51787 1 . LYS 41 41 51787 1 . LYS 42 42 51787 1 . GLY 43 43 51787 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51787 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; SEASPSEGLTIRVKNVNRNA SRKISKRLIKEKLKDEEFIK WVNKVETVLNKMFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Begins at residue E375, with the initial S leftover from cleavage of N-terminal tag' _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'Residues 375-428 of Rec114' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; These proteins are part of a heterotrimeric complex with two copies of the C-terminus of Rec114 that have distinct chemical shifts and one copy of the N-terminus of Mei4. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . SER . 51787 2 2 375 GLU . 51787 2 3 376 ALA . 51787 2 4 377 SER . 51787 2 5 378 PRO . 51787 2 6 379 SER . 51787 2 7 380 GLU . 51787 2 8 381 GLY . 51787 2 9 382 LEU . 51787 2 10 383 THR . 51787 2 11 384 ILE . 51787 2 12 385 ARG . 51787 2 13 386 VAL . 51787 2 14 387 LYS . 51787 2 15 388 ASN . 51787 2 16 389 VAL . 51787 2 17 390 ASN . 51787 2 18 391 ARG . 51787 2 19 392 ASN . 51787 2 20 393 ALA . 51787 2 21 394 SER . 51787 2 22 395 ARG . 51787 2 23 396 LYS . 51787 2 24 397 ILE . 51787 2 25 398 SER . 51787 2 26 399 LYS . 51787 2 27 400 ARG . 51787 2 28 401 LEU . 51787 2 29 402 ILE . 51787 2 30 403 LYS . 51787 2 31 404 GLU . 51787 2 32 405 LYS . 51787 2 33 406 LEU . 51787 2 34 407 LYS . 51787 2 35 408 ASP . 51787 2 36 409 GLU . 51787 2 37 410 GLU . 51787 2 38 411 PHE . 51787 2 39 412 ILE . 51787 2 40 413 LYS . 51787 2 41 414 TRP . 51787 2 42 415 VAL . 51787 2 43 416 ASN . 51787 2 44 417 LYS . 51787 2 45 418 VAL . 51787 2 46 419 GLU . 51787 2 47 420 THR . 51787 2 48 421 VAL . 51787 2 49 422 LEU . 51787 2 50 423 ASN . 51787 2 51 424 LYS . 51787 2 52 425 MET . 51787 2 53 426 PHE . 51787 2 54 427 GLU . 51787 2 55 428 LYS . 51787 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 51787 2 . GLU 2 2 51787 2 . ALA 3 3 51787 2 . SER 4 4 51787 2 . PRO 5 5 51787 2 . SER 6 6 51787 2 . GLU 7 7 51787 2 . GLY 8 8 51787 2 . LEU 9 9 51787 2 . THR 10 10 51787 2 . ILE 11 11 51787 2 . ARG 12 12 51787 2 . VAL 13 13 51787 2 . LYS 14 14 51787 2 . ASN 15 15 51787 2 . VAL 16 16 51787 2 . ASN 17 17 51787 2 . ARG 18 18 51787 2 . ASN 19 19 51787 2 . ALA 20 20 51787 2 . SER 21 21 51787 2 . ARG 22 22 51787 2 . LYS 23 23 51787 2 . ILE 24 24 51787 2 . SER 25 25 51787 2 . LYS 26 26 51787 2 . ARG 27 27 51787 2 . LEU 28 28 51787 2 . ILE 29 29 51787 2 . LYS 30 30 51787 2 . GLU 31 31 51787 2 . LYS 32 32 51787 2 . LEU 33 33 51787 2 . LYS 34 34 51787 2 . ASP 35 35 51787 2 . GLU 36 36 51787 2 . GLU 37 37 51787 2 . PHE 38 38 51787 2 . ILE 39 39 51787 2 . LYS 40 40 51787 2 . TRP 41 41 51787 2 . VAL 42 42 51787 2 . ASN 43 43 51787 2 . LYS 44 44 51787 2 . VAL 45 45 51787 2 . GLU 46 46 51787 2 . THR 47 47 51787 2 . VAL 48 48 51787 2 . LEU 49 49 51787 2 . ASN 50 50 51787 2 . LYS 51 51 51787 2 . MET 52 52 51787 2 . PHE 53 53 51787 2 . GLU 54 54 51787 2 . LYS 55 55 51787 2 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 51787 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51787 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51787 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 51787 _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 . . . plasmid . . pETDuet . . 'proteins were co-expressed and purified' 51787 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETDuet . . 'proteins were co-expressed and purified' 51787 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51787 _Sample.ID 1 _Sample.Name 'Rec114:Mei4 July 2021' _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 Mei4 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 51787 1 2 Rec114 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1200 . . uM . . . . 51787 1 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 51787 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51787 1 5 D2O 'natural abundance' . . . . . . 5% . . % . . . . 51787 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51787 1 7 'sodium azide' 'natural abundance' . . . . . . .05 . . % . . . . 51787 1 8 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51787 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 51787 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'data collected at pH 7.4, 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 pH 7.4 . pH 51787 1 pressure 1 . atm 51787 1 temperature 298 . K 51787 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51787 _Software.ID 1 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51787 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51787 _Software.ID 2 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51787 2 processing . 51787 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51787 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51787 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51787 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51787 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51787 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51787 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 51787 _Software.ID 6 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51787 6 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 51787 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz at NYSBC' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51787 _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 yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 5 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 1 7 '3D HNN' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'HN(COCA)NH to give chemical shifts of i, i+1 N' 51787 1 8 '3D HCC(CO)NH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51787 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 51787 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _Chem_shift_reference.Details ; Samples were collected at NYSBC and we used their external temperature referencing with an external thermocouple, which they have found comparable to methanol-d4 samples for external referencing. I have also recently collected data with DSS in samples and found that their referencing is accurate. ; 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 external indirect 0.251449530 . . . . . 51787 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51787 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51787 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 51787 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Rec114 assignments' _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 'These are the assignments for one Rec114 chain (Rec114 A) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51787 1 2 '3D CBCA(CO)NH' . . . 51787 1 3 '3D HNCACB' . . . 51787 1 4 '3D HNCO' . . . 51787 1 5 '3D HNCACO' . . . 51787 1 6 '3D HNCA' . . . 51787 1 7 '3D HNN' . . . 51787 1 8 '3D HCC(CO)NH TOCSY' . . . 51787 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 . . 51787 1 3 $software_3 . . 51787 1 4 $software_4 . . 51787 1 5 $software_5 . . 51787 1 6 $software_6 . . 51787 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 27 27 ARG C C 13 178.213 0.00 . . . . . . . 400 ARG C . 51787 1 2 . 2 . 2 28 28 LEU H H 1 7.565 0.00 . . . . . . . 401 LEU H . 51787 1 3 . 2 . 2 28 28 LEU C C 13 178.726 0.00 . . . . . . . 401 LEU C . 51787 1 4 . 2 . 2 28 28 LEU CA C 13 57.659 0.03 . . . . . . . 401 LEU CA . 51787 1 5 . 2 . 2 28 28 LEU CB C 13 42.207 0.03 . . . . . . . 401 LEU CB . 51787 1 6 . 2 . 2 28 28 LEU N N 15 119.792 0.01 . . . . . . . 401 LEU N . 51787 1 7 . 2 . 2 29 29 ILE H H 1 7.586 0.00 . . . . . . . 402 ILE H . 51787 1 8 . 2 . 2 29 29 ILE C C 13 177.026 0.01 . . . . . . . 402 ILE C . 51787 1 9 . 2 . 2 29 29 ILE CA C 13 66.375 0.01 . . . . . . . 402 ILE CA . 51787 1 10 . 2 . 2 29 29 ILE CB C 13 38.204 0.10 . . . . . . . 402 ILE CB . 51787 1 11 . 2 . 2 29 29 ILE N N 15 117.952 0.01 . . . . . . . 402 ILE N . 51787 1 12 . 2 . 2 30 30 LYS H H 1 8.034 0.00 . . . . . . . 403 LYS H . 51787 1 13 . 2 . 2 30 30 LYS C C 13 178.973 0.02 . . . . . . . 403 LYS C . 51787 1 14 . 2 . 2 30 30 LYS CA C 13 60.381 0.02 . . . . . . . 403 LYS CA . 51787 1 15 . 2 . 2 30 30 LYS CB C 13 32.367 0.02 . . . . . . . 403 LYS CB . 51787 1 16 . 2 . 2 30 30 LYS N N 15 116.741 0.01 . . . . . . . 403 LYS N . 51787 1 17 . 2 . 2 31 31 GLU H H 1 7.786 0.00 . . . . . . . 404 GLU H . 51787 1 18 . 2 . 2 31 31 GLU C C 13 179.619 0.03 . . . . . . . 404 GLU C . 51787 1 19 . 2 . 2 31 31 GLU CA C 13 59.252 0.02 . . . . . . . 404 GLU CA . 51787 1 20 . 2 . 2 31 31 GLU CB C 13 29.536 0.05 . . . . . . . 404 GLU CB . 51787 1 21 . 2 . 2 31 31 GLU N N 15 116.965 0.01 . . . . . . . 404 GLU N . 51787 1 22 . 2 . 2 32 32 LYS H H 1 7.777 0.00 . . . . . . . 405 LYS H . 51787 1 23 . 2 . 2 32 32 LYS C C 13 177.980 0.00 . . . . . . . 405 LYS C . 51787 1 24 . 2 . 2 32 32 LYS CA C 13 58.417 0.03 . . . . . . . 405 LYS CA . 51787 1 25 . 2 . 2 32 32 LYS CB C 13 30.490 0.01 . . . . . . . 405 LYS CB . 51787 1 26 . 2 . 2 32 32 LYS N N 15 119.280 0.02 . . . . . . . 405 LYS N . 51787 1 27 . 2 . 2 33 33 LEU H H 1 7.542 0.00 . . . . . . . 406 LEU H . 51787 1 28 . 2 . 2 33 33 LEU C C 13 177.215 0.01 . . . . . . . 406 LEU C . 51787 1 29 . 2 . 2 33 33 LEU CA C 13 56.621 0.01 . . . . . . . 406 LEU CA . 51787 1 30 . 2 . 2 33 33 LEU CB C 13 41.376 0.03 . . . . . . . 406 LEU CB . 51787 1 31 . 2 . 2 33 33 LEU N N 15 113.282 0.01 . . . . . . . 406 LEU N . 51787 1 32 . 2 . 2 34 34 LYS H H 1 7.030 0.00 . . . . . . . 407 LYS H . 51787 1 33 . 2 . 2 34 34 LYS C C 13 175.492 0.01 . . . . . . . 407 LYS C . 51787 1 34 . 2 . 2 34 34 LYS CA C 13 55.895 0.04 . . . . . . . 407 LYS CA . 51787 1 35 . 2 . 2 34 34 LYS CB C 13 33.005 0.01 . . . . . . . 407 LYS CB . 51787 1 36 . 2 . 2 34 34 LYS N N 15 113.865 0.02 . . . . . . . 407 LYS N . 51787 1 37 . 2 . 2 35 35 ASP H H 1 7.465 0.00 . . . . . . . 408 ASP H . 51787 1 38 . 2 . 2 35 35 ASP C C 13 175.593 0.01 . . . . . . . 408 ASP C . 51787 1 39 . 2 . 2 35 35 ASP CA C 13 53.161 0.04 . . . . . . . 408 ASP CA . 51787 1 40 . 2 . 2 35 35 ASP CB C 13 41.510 0.03 . . . . . . . 408 ASP CB . 51787 1 41 . 2 . 2 35 35 ASP N N 15 122.223 0.02 . . . . . . . 408 ASP N . 51787 1 42 . 2 . 2 36 36 GLU H H 1 8.786 0.01 . . . . . . . 409 GLU H . 51787 1 43 . 2 . 2 36 36 GLU C C 13 179.347 0.00 . . . . . . . 409 GLU C . 51787 1 44 . 2 . 2 36 36 GLU CA C 13 59.801 0.05 . . . . . . . 409 GLU CA . 51787 1 45 . 2 . 2 36 36 GLU CB C 13 29.816 0.03 . . . . . . . 409 GLU CB . 51787 1 46 . 2 . 2 36 36 GLU N N 15 125.556 0.02 . . . . . . . 409 GLU N . 51787 1 47 . 2 . 2 37 37 GLU H H 1 8.270 0.01 . . . . . . . 410 GLU H . 51787 1 48 . 2 . 2 37 37 GLU C C 13 178.144 0.04 . . . . . . . 410 GLU C . 51787 1 49 . 2 . 2 37 37 GLU CA C 13 59.042 0.08 . . . . . . . 410 GLU CA . 51787 1 50 . 2 . 2 37 37 GLU CB C 13 29.244 0.03 . . . . . . . 410 GLU CB . 51787 1 51 . 2 . 2 37 37 GLU N N 15 119.437 0.02 . . . . . . . 410 GLU N . 51787 1 52 . 2 . 2 38 38 PHE H H 1 7.753 0.02 . . . . . . . 411 PHE H . 51787 1 53 . 2 . 2 38 38 PHE C C 13 177.553 0.00 . . . . . . . 411 PHE C . 51787 1 54 . 2 . 2 38 38 PHE CA C 13 61.863 0.03 . . . . . . . 411 PHE CA . 51787 1 55 . 2 . 2 38 38 PHE CB C 13 38.987 0.09 . . . . . . . 411 PHE CB . 51787 1 56 . 2 . 2 38 38 PHE N N 15 122.770 0.05 . . . . . . . 411 PHE N . 51787 1 57 . 2 . 2 39 39 ILE H H 1 8.345 0.01 . . . . . . . 412 ILE H . 51787 1 58 . 2 . 2 39 39 ILE C C 13 177.845 0.00 . . . . . . . 412 ILE C . 51787 1 59 . 2 . 2 39 39 ILE CA C 13 63.085 0.02 . . . . . . . 412 ILE CA . 51787 1 60 . 2 . 2 39 39 ILE CB C 13 36.319 0.03 . . . . . . . 412 ILE CB . 51787 1 61 . 2 . 2 39 39 ILE N N 15 118.624 0.04 . . . . . . . 412 ILE N . 51787 1 62 . 2 . 2 40 40 LYS H H 1 7.816 0.01 . . . . . . . 413 LYS H . 51787 1 63 . 2 . 2 40 40 LYS C C 13 180.468 0.01 . . . . . . . 413 LYS C . 51787 1 64 . 2 . 2 40 40 LYS CA C 13 60.427 0.02 . . . . . . . 413 LYS CA . 51787 1 65 . 2 . 2 40 40 LYS CB C 13 32.062 0.07 . . . . . . . 413 LYS CB . 51787 1 66 . 2 . 2 40 40 LYS N N 15 119.367 0.02 . . . . . . . 413 LYS N . 51787 1 67 . 2 . 2 41 41 TRP H H 1 7.808 0.00 . . . . . . . 414 TRP H . 51787 1 68 . 2 . 2 41 41 TRP C C 13 178.167 0.02 . . . . . . . 414 TRP C . 51787 1 69 . 2 . 2 41 41 TRP CA C 13 61.050 0.06 . . . . . . . 414 TRP CA . 51787 1 70 . 2 . 2 41 41 TRP CB C 13 29.169 0.02 . . . . . . . 414 TRP CB . 51787 1 71 . 2 . 2 41 41 TRP N N 15 120.956 0.02 . . . . . . . 414 TRP N . 51787 1 72 . 2 . 2 42 42 VAL H H 1 8.385 0.00 . . . . . . . 415 VAL H . 51787 1 73 . 2 . 2 42 42 VAL C C 13 177.983 0.03 . . . . . . . 415 VAL C . 51787 1 74 . 2 . 2 42 42 VAL CA C 13 67.252 0.08 . . . . . . . 415 VAL CA . 51787 1 75 . 2 . 2 42 42 VAL CB C 13 31.422 0.04 . . . . . . . 415 VAL CB . 51787 1 76 . 2 . 2 42 42 VAL N N 15 120.993 0.04 . . . . . . . 415 VAL N . 51787 1 77 . 2 . 2 43 43 ASN H H 1 8.491 0.01 . . . . . . . 416 ASN H . 51787 1 78 . 2 . 2 43 43 ASN C C 13 178.203 0.02 . . . . . . . 416 ASN C . 51787 1 79 . 2 . 2 43 43 ASN CA C 13 55.575 0.03 . . . . . . . 416 ASN CA . 51787 1 80 . 2 . 2 43 43 ASN CB C 13 37.596 0.02 . . . . . . . 416 ASN CB . 51787 1 81 . 2 . 2 43 43 ASN N N 15 117.346 0.03 . . . . . . . 416 ASN N . 51787 1 82 . 2 . 2 44 44 LYS H H 1 7.949 0.00 . . . . . . . 417 LYS H . 51787 1 83 . 2 . 2 44 44 LYS C C 13 179.727 0.02 . . . . . . . 417 LYS C . 51787 1 84 . 2 . 2 44 44 LYS CA C 13 59.600 0.06 . . . . . . . 417 LYS CA . 51787 1 85 . 2 . 2 44 44 LYS CB C 13 32.311 0.01 . . . . . . . 417 LYS CB . 51787 1 86 . 2 . 2 44 44 LYS N N 15 121.274 0.04 . . . . . . . 417 LYS N . 51787 1 87 . 2 . 2 45 45 VAL H H 1 8.288 0.01 . . . . . . . 418 VAL H . 51787 1 88 . 2 . 2 45 45 VAL C C 13 177.352 0.00 . . . . . . . 418 VAL C . 51787 1 89 . 2 . 2 45 45 VAL CA C 13 66.559 0.02 . . . . . . . 418 VAL CA . 51787 1 90 . 2 . 2 45 45 VAL CB C 13 31.000 0.07 . . . . . . . 418 VAL CB . 51787 1 91 . 2 . 2 45 45 VAL N N 15 120.636 0.02 . . . . . . . 418 VAL N . 51787 1 92 . 2 . 2 46 46 GLU H H 1 8.991 0.00 . . . . . . . 419 GLU H . 51787 1 93 . 2 . 2 46 46 GLU C C 13 177.803 0.01 . . . . . . . 419 GLU C . 51787 1 94 . 2 . 2 46 46 GLU CA C 13 61.754 0.03 . . . . . . . 419 GLU CA . 51787 1 95 . 2 . 2 46 46 GLU CB C 13 27.759 0.03 . . . . . . . 419 GLU CB . 51787 1 96 . 2 . 2 46 46 GLU N N 15 124.140 0.01 . . . . . . . 419 GLU N . 51787 1 97 . 2 . 2 47 47 THR H H 1 7.499 0.00 . . . . . . . 420 THR H . 51787 1 98 . 2 . 2 47 47 THR C C 13 176.639 0.00 . . . . . . . 420 THR C . 51787 1 99 . 2 . 2 47 47 THR CA C 13 66.121 0.05 . . . . . . . 420 THR CA . 51787 1 100 . 2 . 2 47 47 THR CB C 13 69.267 0.04 . . . . . . . 420 THR CB . 51787 1 101 . 2 . 2 47 47 THR N N 15 111.086 0.06 . . . . . . . 420 THR N . 51787 1 102 . 2 . 2 48 48 VAL H H 1 7.208 0.00 . . . . . . . 421 VAL H . 51787 1 103 . 2 . 2 48 48 VAL C C 13 178.527 0.00 . . . . . . . 421 VAL C . 51787 1 104 . 2 . 2 48 48 VAL CA C 13 65.756 0.06 . . . . . . . 421 VAL CA . 51787 1 105 . 2 . 2 48 48 VAL CB C 13 31.979 0.02 . . . . . . . 421 VAL CB . 51787 1 106 . 2 . 2 48 48 VAL N N 15 122.077 0.02 . . . . . . . 421 VAL N . 51787 1 107 . 2 . 2 49 49 LEU H H 1 8.390 0.01 . . . . . . . 422 LEU H . 51787 1 108 . 2 . 2 49 49 LEU C C 13 178.524 0.02 . . . . . . . 422 LEU C . 51787 1 109 . 2 . 2 49 49 LEU CA C 13 57.956 0.02 . . . . . . . 422 LEU CA . 51787 1 110 . 2 . 2 49 49 LEU CB C 13 41.790 0.04 . . . . . . . 422 LEU CB . 51787 1 111 . 2 . 2 49 49 LEU N N 15 120.607 0.04 . . . . . . . 422 LEU N . 51787 1 112 . 2 . 2 50 50 ASN H H 1 8.355 0.00 . . . . . . . 423 ASN H . 51787 1 113 . 2 . 2 50 50 ASN C C 13 177.471 0.00 . . . . . . . 423 ASN C . 51787 1 114 . 2 . 2 50 50 ASN CA C 13 56.227 0.03 . . . . . . . 423 ASN CA . 51787 1 115 . 2 . 2 50 50 ASN CB C 13 38.507 0.02 . . . . . . . 423 ASN CB . 51787 1 116 . 2 . 2 50 50 ASN N N 15 116.136 0.02 . . . . . . . 423 ASN N . 51787 1 117 . 2 . 2 51 51 LYS H H 1 7.373 0.00 . . . . . . . 424 LYS H . 51787 1 118 . 2 . 2 51 51 LYS C C 13 178.374 0.02 . . . . . . . 424 LYS C . 51787 1 119 . 2 . 2 51 51 LYS CA C 13 57.044 0.03 . . . . . . . 424 LYS CA . 51787 1 120 . 2 . 2 51 51 LYS CB C 13 32.206 0.02 . . . . . . . 424 LYS CB . 51787 1 121 . 2 . 2 51 51 LYS N N 15 116.994 0.01 . . . . . . . 424 LYS N . 51787 1 122 . 2 . 2 52 52 MET H H 1 7.894 0.00 . . . . . . . 425 MET H . 51787 1 123 . 2 . 2 52 52 MET C C 13 176.820 0.02 . . . . . . . 425 MET C . 51787 1 124 . 2 . 2 52 52 MET CA C 13 57.968 0.04 . . . . . . . 425 MET CA . 51787 1 125 . 2 . 2 52 52 MET CB C 13 33.432 0.14 . . . . . . . 425 MET CB . 51787 1 126 . 2 . 2 52 52 MET N N 15 118.875 0.02 . . . . . . . 425 MET N . 51787 1 127 . 2 . 2 53 53 PHE H H 1 7.813 0.00 . . . . . . . 426 PHE H . 51787 1 128 . 2 . 2 53 53 PHE C C 13 175.514 0.01 . . . . . . . 426 PHE C . 51787 1 129 . 2 . 2 53 53 PHE CA C 13 56.788 0.02 . . . . . . . 426 PHE CA . 51787 1 130 . 2 . 2 53 53 PHE CB C 13 39.003 0.01 . . . . . . . 426 PHE CB . 51787 1 131 . 2 . 2 53 53 PHE N N 15 117.198 0.01 . . . . . . . 426 PHE N . 51787 1 132 . 2 . 2 54 54 GLU H H 1 7.812 0.00 . . . . . . . 427 GLU H . 51787 1 133 . 2 . 2 54 54 GLU C C 13 175.486 0.02 . . . . . . . 427 GLU C . 51787 1 134 . 2 . 2 54 54 GLU CA C 13 57.094 0.03 . . . . . . . 427 GLU CA . 51787 1 135 . 2 . 2 54 54 GLU CB C 13 30.176 0.03 . . . . . . . 427 GLU CB . 51787 1 136 . 2 . 2 54 54 GLU CG C 13 36.351 0.00 . . . . . . . 427 GLU CG . 51787 1 137 . 2 . 2 54 54 GLU N N 15 121.671 0.00 . . . . . . . 427 GLU N . 51787 1 138 . 2 . 2 55 55 LYS H H 1 8.001 0.00 . . . . . . . 428 LYS H . 51787 1 139 . 2 . 2 55 55 LYS C C 13 181.387 0.00 . . . . . . . 428 LYS C . 51787 1 140 . 2 . 2 55 55 LYS CA C 13 57.757 0.01 . . . . . . . 428 LYS CA . 51787 1 141 . 2 . 2 55 55 LYS CB C 13 33.672 0.00 . . . . . . . 428 LYS CB . 51787 1 142 . 2 . 2 55 55 LYS N N 15 127.453 0.01 . . . . . . . 428 LYS N . 51787 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51787 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Mei4 assignments' _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 'These are the assignments for Mei4 in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51787 2 2 '3D CBCA(CO)NH' . . . 51787 2 3 '3D HNCACB' . . . 51787 2 4 '3D HNCO' . . . 51787 2 5 '3D HNCACO' . . . 51787 2 6 '3D HNCA' . . . 51787 2 7 '3D HNN' . . . 51787 2 8 '3D HCC(CO)NH TOCSY' . . . 51787 2 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 . . 51787 2 3 $software_3 . . 51787 2 4 $software_4 . . 51787 2 5 $software_5 . . 51787 2 6 $software_6 . . 51787 2 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 4 4 GLY C C 13 173.941 0.00 . . . . . . . 4 GLY C . 51787 2 2 . 1 . 1 4 4 GLY CA C 13 45.233 0.04 . . . . . . . 4 GLY CA . 51787 2 3 . 1 . 1 5 5 LYS H H 1 8.254 0.00 . . . . . . . 5 LYS H . 51787 2 4 . 1 . 1 5 5 LYS C C 13 176.975 0.00 . . . . . . . 5 LYS C . 51787 2 5 . 1 . 1 5 5 LYS CA C 13 56.575 0.02 . . . . . . . 5 LYS CA . 51787 2 6 . 1 . 1 5 5 LYS CB C 13 33.085 0.02 . . . . . . . 5 LYS CB . 51787 2 7 . 1 . 1 5 5 LYS N N 15 121.161 0.03 . . . . . . . 5 LYS N . 51787 2 8 . 1 . 1 6 6 LEU H H 1 8.363 0.00 . . . . . . . 6 LEU H . 51787 2 9 . 1 . 1 6 6 LEU C C 13 177.821 0.01 . . . . . . . 6 LEU C . 51787 2 10 . 1 . 1 6 6 LEU CA C 13 55.937 0.05 . . . . . . . 6 LEU CA . 51787 2 11 . 1 . 1 6 6 LEU CB C 13 42.024 0.03 . . . . . . . 6 LEU CB . 51787 2 12 . 1 . 1 6 6 LEU N N 15 123.397 0.01 . . . . . . . 6 LEU N . 51787 2 13 . 1 . 1 7 7 GLU H H 1 8.500 0.00 . . . . . . . 7 GLU H . 51787 2 14 . 1 . 1 7 7 GLU C C 13 176.522 0.02 . . . . . . . 7 GLU C . 51787 2 15 . 1 . 1 7 7 GLU CA C 13 57.267 0.03 . . . . . . . 7 GLU CA . 51787 2 16 . 1 . 1 7 7 GLU CB C 13 30.194 0.02 . . . . . . . 7 GLU CB . 51787 2 17 . 1 . 1 7 7 GLU N N 15 120.951 0.01 . . . . . . . 7 GLU N . 51787 2 18 . 1 . 1 8 8 ASP H H 1 8.232 0.00 . . . . . . . 8 ASP H . 51787 2 19 . 1 . 1 8 8 ASP C C 13 176.923 0.00 . . . . . . . 8 ASP C . 51787 2 20 . 1 . 1 8 8 ASP CA C 13 54.856 0.04 . . . . . . . 8 ASP CA . 51787 2 21 . 1 . 1 8 8 ASP CB C 13 41.197 0.01 . . . . . . . 8 ASP CB . 51787 2 22 . 1 . 1 8 8 ASP N N 15 120.928 0.01 . . . . . . . 8 ASP N . 51787 2 23 . 1 . 1 9 9 MET H H 1 8.273 0.00 . . . . . . . 9 MET H . 51787 2 24 . 1 . 1 9 9 MET C C 13 177.131 0.00 . . . . . . . 9 MET C . 51787 2 25 . 1 . 1 9 9 MET CA C 13 56.638 0.03 . . . . . . . 9 MET CA . 51787 2 26 . 1 . 1 9 9 MET CB C 13 32.638 0.29 . . . . . . . 9 MET CB . 51787 2 27 . 1 . 1 9 9 MET N N 15 120.643 0.02 . . . . . . . 9 MET N . 51787 2 28 . 1 . 1 10 10 GLU H H 1 8.368 0.00 . . . . . . . 10 GLU H . 51787 2 29 . 1 . 1 10 10 GLU C C 13 177.242 0.00 . . . . . . . 10 GLU C . 51787 2 30 . 1 . 1 10 10 GLU CA C 13 57.696 0.03 . . . . . . . 10 GLU CA . 51787 2 31 . 1 . 1 10 10 GLU CB C 13 29.920 0.06 . . . . . . . 10 GLU CB . 51787 2 32 . 1 . 1 10 10 GLU N N 15 120.997 0.03 . . . . . . . 10 GLU N . 51787 2 33 . 1 . 1 11 11 GLN H H 1 8.272 0.00 . . . . . . . 11 GLN H . 51787 2 34 . 1 . 1 11 11 GLN C C 13 176.767 0.00 . . . . . . . 11 GLN C . 51787 2 35 . 1 . 1 11 11 GLN CA C 13 56.690 0.05 . . . . . . . 11 GLN CA . 51787 2 36 . 1 . 1 11 11 GLN CB C 13 29.011 0.00 . . . . . . . 11 GLN CB . 51787 2 37 . 1 . 1 11 11 GLN N N 15 120.571 0.03 . . . . . . . 11 GLN N . 51787 2 38 . 1 . 1 12 12 LYS H H 1 8.175 0.00 . . . . . . . 12 LYS H . 51787 2 39 . 1 . 1 12 12 LYS C C 13 177.235 0.01 . . . . . . . 12 LYS C . 51787 2 40 . 1 . 1 12 12 LYS CA C 13 57.502 0.07 . . . . . . . 12 LYS CA . 51787 2 41 . 1 . 1 12 12 LYS CB C 13 32.996 0.03 . . . . . . . 12 LYS CB . 51787 2 42 . 1 . 1 12 12 LYS N N 15 121.856 0.02 . . . . . . . 12 LYS N . 51787 2 43 . 1 . 1 13 13 GLU H H 1 8.331 0.00 . . . . . . . 13 GLU H . 51787 2 44 . 1 . 1 13 13 GLU C C 13 177.144 0.02 . . . . . . . 13 GLU C . 51787 2 45 . 1 . 1 13 13 GLU CA C 13 57.474 0.04 . . . . . . . 13 GLU CA . 51787 2 46 . 1 . 1 13 13 GLU CB C 13 29.910 0.01 . . . . . . . 13 GLU CB . 51787 2 47 . 1 . 1 13 13 GLU N N 15 121.451 0.09 . . . . . . . 13 GLU N . 51787 2 48 . 1 . 1 14 14 THR H H 1 8.274 0.00 . . . . . . . 14 THR H . 51787 2 49 . 1 . 1 14 14 THR CA C 13 64.055 0.00 . . . . . . . 14 THR CA . 51787 2 50 . 1 . 1 14 14 THR CB C 13 69.213 0.00 . . . . . . . 14 THR CB . 51787 2 51 . 1 . 1 14 14 THR N N 15 116.799 0.03 . . . . . . . 14 THR N . 51787 2 52 . 1 . 1 16 16 GLU C C 13 178.939 0.01 . . . . . . . 16 GLU C . 51787 2 53 . 1 . 1 16 16 GLU CA C 13 59.940 0.05 . . . . . . . 16 GLU CA . 51787 2 54 . 1 . 1 16 16 GLU CB C 13 29.971 0.04 . . . . . . . 16 GLU CB . 51787 2 55 . 1 . 1 17 17 VAL H H 1 8.026 0.00 . . . . . . . 17 VAL H . 51787 2 56 . 1 . 1 17 17 VAL C C 13 177.015 0.01 . . . . . . . 17 VAL C . 51787 2 57 . 1 . 1 17 17 VAL CA C 13 67.035 0.04 . . . . . . . 17 VAL CA . 51787 2 58 . 1 . 1 17 17 VAL CB C 13 31.560 0.01 . . . . . . . 17 VAL CB . 51787 2 59 . 1 . 1 17 17 VAL N N 15 117.367 0.02 . . . . . . . 17 VAL N . 51787 2 60 . 1 . 1 18 18 ASP H H 1 7.822 0.01 . . . . . . . 18 ASP H . 51787 2 61 . 1 . 1 18 18 ASP C C 13 179.212 0.01 . . . . . . . 18 ASP C . 51787 2 62 . 1 . 1 18 18 ASP CA C 13 58.336 0.02 . . . . . . . 18 ASP CA . 51787 2 63 . 1 . 1 18 18 ASP CB C 13 39.784 0.01 . . . . . . . 18 ASP CB . 51787 2 64 . 1 . 1 18 18 ASP N N 15 120.962 0.03 . . . . . . . 18 ASP N . 51787 2 65 . 1 . 1 19 19 TRP H H 1 8.047 0.00 . . . . . . . 19 TRP H . 51787 2 66 . 1 . 1 19 19 TRP C C 13 178.374 0.02 . . . . . . . 19 TRP C . 51787 2 67 . 1 . 1 19 19 TRP CA C 13 61.871 0.04 . . . . . . . 19 TRP CA . 51787 2 68 . 1 . 1 19 19 TRP CB C 13 29.801 0.03 . . . . . . . 19 TRP CB . 51787 2 69 . 1 . 1 19 19 TRP N N 15 118.874 0.03 . . . . . . . 19 TRP N . 51787 2 70 . 1 . 1 20 20 ILE H H 1 8.681 0.00 . . . . . . . 20 ILE H . 51787 2 71 . 1 . 1 20 20 ILE C C 13 177.779 0.01 . . . . . . . 20 ILE C . 51787 2 72 . 1 . 1 20 20 ILE CA C 13 65.372 0.03 . . . . . . . 20 ILE CA . 51787 2 73 . 1 . 1 20 20 ILE CB C 13 38.336 0.05 . . . . . . . 20 ILE CB . 51787 2 74 . 1 . 1 20 20 ILE N N 15 120.523 0.02 . . . . . . . 20 ILE N . 51787 2 75 . 1 . 1 21 21 ILE H H 1 8.515 0.00 . . . . . . . 21 ILE H . 51787 2 76 . 1 . 1 21 21 ILE C C 13 176.592 0.01 . . . . . . . 21 ILE C . 51787 2 77 . 1 . 1 21 21 ILE CA C 13 66.351 0.02 . . . . . . . 21 ILE CA . 51787 2 78 . 1 . 1 21 21 ILE CB C 13 38.031 0.04 . . . . . . . 21 ILE CB . 51787 2 79 . 1 . 1 21 21 ILE N N 15 117.932 0.01 . . . . . . . 21 ILE N . 51787 2 80 . 1 . 1 22 22 CYS H H 1 8.792 0.00 . . . . . . . 22 CYS H . 51787 2 81 . 1 . 1 22 22 CYS C C 13 175.686 0.01 . . . . . . . 22 CYS C . 51787 2 82 . 1 . 1 22 22 CYS CA C 13 61.049 0.06 . . . . . . . 22 CYS CA . 51787 2 83 . 1 . 1 22 22 CYS CB C 13 26.931 0.01 . . . . . . . 22 CYS CB . 51787 2 84 . 1 . 1 22 22 CYS N N 15 119.207 0.02 . . . . . . . 22 CYS N . 51787 2 85 . 1 . 1 23 23 PHE H H 1 8.560 0.00 . . . . . . . 23 PHE H . 51787 2 86 . 1 . 1 23 23 PHE C C 13 176.952 0.00 . . . . . . . 23 PHE C . 51787 2 87 . 1 . 1 23 23 PHE CA C 13 61.138 0.04 . . . . . . . 23 PHE CA . 51787 2 88 . 1 . 1 23 23 PHE CB C 13 38.560 0.04 . . . . . . . 23 PHE CB . 51787 2 89 . 1 . 1 23 23 PHE N N 15 115.723 0.01 . . . . . . . 23 PHE N . 51787 2 90 . 1 . 1 24 24 ALA H H 1 8.601 0.00 . . . . . . . 24 ALA H . 51787 2 91 . 1 . 1 24 24 ALA C C 13 178.963 0.01 . . . . . . . 24 ALA C . 51787 2 92 . 1 . 1 24 24 ALA CA C 13 55.686 0.03 . . . . . . . 24 ALA CA . 51787 2 93 . 1 . 1 24 24 ALA CB C 13 19.134 0.00 . . . . . . . 24 ALA CB . 51787 2 94 . 1 . 1 24 24 ALA N N 15 123.432 0.02 . . . . . . . 24 ALA N . 51787 2 95 . 1 . 1 25 25 LEU H H 1 8.527 0.00 . . . . . . . 25 LEU H . 51787 2 96 . 1 . 1 25 25 LEU C C 13 179.464 0.03 . . . . . . . 25 LEU C . 51787 2 97 . 1 . 1 25 25 LEU CA C 13 57.937 0.03 . . . . . . . 25 LEU CA . 51787 2 98 . 1 . 1 25 25 LEU CB C 13 41.826 0.04 . . . . . . . 25 LEU CB . 51787 2 99 . 1 . 1 25 25 LEU N N 15 120.136 0.02 . . . . . . . 25 LEU N . 51787 2 100 . 1 . 1 26 26 ILE H H 1 7.972 0.00 . . . . . . . 26 ILE H . 51787 2 101 . 1 . 1 26 26 ILE C C 13 176.671 0.00 . . . . . . . 26 ILE C . 51787 2 102 . 1 . 1 26 26 ILE CA C 13 66.546 0.04 . . . . . . . 26 ILE CA . 51787 2 103 . 1 . 1 26 26 ILE CB C 13 38.072 0.11 . . . . . . . 26 ILE CB . 51787 2 104 . 1 . 1 26 26 ILE N N 15 120.413 0.03 . . . . . . . 26 ILE N . 51787 2 105 . 1 . 1 27 27 GLN H H 1 8.393 0.00 . . . . . . . 27 GLN H . 51787 2 106 . 1 . 1 27 27 GLN C C 13 176.741 0.01 . . . . . . . 27 GLN C . 51787 2 107 . 1 . 1 27 27 GLN CA C 13 59.543 0.03 . . . . . . . 27 GLN CA . 51787 2 108 . 1 . 1 27 27 GLN CB C 13 26.563 0.05 . . . . . . . 27 GLN CB . 51787 2 109 . 1 . 1 27 27 GLN N N 15 118.949 0.03 . . . . . . . 27 GLN N . 51787 2 110 . 1 . 1 28 28 SER H H 1 7.885 0.00 . . . . . . . 28 SER H . 51787 2 111 . 1 . 1 28 28 SER C C 13 176.418 0.00 . . . . . . . 28 SER C . 51787 2 112 . 1 . 1 28 28 SER CA C 13 60.997 0.03 . . . . . . . 28 SER CA . 51787 2 113 . 1 . 1 28 28 SER CB C 13 64.152 0.05 . . . . . . . 28 SER CB . 51787 2 114 . 1 . 1 28 28 SER N N 15 110.577 0.03 . . . . . . . 28 SER N . 51787 2 115 . 1 . 1 29 29 ARG H H 1 8.067 0.00 . . . . . . . 29 ARG H . 51787 2 116 . 1 . 1 29 29 ARG C C 13 176.067 0.02 . . . . . . . 29 ARG C . 51787 2 117 . 1 . 1 29 29 ARG CA C 13 56.123 0.06 . . . . . . . 29 ARG CA . 51787 2 118 . 1 . 1 29 29 ARG CB C 13 31.352 0.05 . . . . . . . 29 ARG CB . 51787 2 119 . 1 . 1 29 29 ARG N N 15 115.671 0.01 . . . . . . . 29 ARG N . 51787 2 120 . 1 . 1 30 30 ASN H H 1 8.789 0.00 . . . . . . . 30 ASN H . 51787 2 121 . 1 . 1 30 30 ASN C C 13 171.016 0.00 . . . . . . . 30 ASN C . 51787 2 122 . 1 . 1 30 30 ASN CA C 13 50.110 0.01 . . . . . . . 30 ASN CA . 51787 2 123 . 1 . 1 30 30 ASN CB C 13 37.876 0.00 . . . . . . . 30 ASN CB . 51787 2 124 . 1 . 1 30 30 ASN N N 15 120.998 0.01 . . . . . . . 30 ASN N . 51787 2 125 . 1 . 1 31 31 PRO C C 13 179.855 0.02 . . . . . . . 31 PRO C . 51787 2 126 . 1 . 1 31 31 PRO CA C 13 65.078 0.02 . . . . . . . 31 PRO CA . 51787 2 127 . 1 . 1 31 31 PRO CB C 13 31.464 0.08 . . . . . . . 31 PRO CB . 51787 2 128 . 1 . 1 32 32 THR H H 1 8.372 0.00 . . . . . . . 32 THR H . 51787 2 129 . 1 . 1 32 32 THR C C 13 176.843 0.00 . . . . . . . 32 THR C . 51787 2 130 . 1 . 1 32 32 THR CA C 13 66.308 0.02 . . . . . . . 32 THR CA . 51787 2 131 . 1 . 1 32 32 THR CB C 13 68.212 0.03 . . . . . . . 32 THR CB . 51787 2 132 . 1 . 1 32 32 THR N N 15 113.222 0.02 . . . . . . . 32 THR N . 51787 2 133 . 1 . 1 33 33 LEU H H 1 7.215 0.00 . . . . . . . 33 LEU H . 51787 2 134 . 1 . 1 33 33 LEU C C 13 177.469 0.01 . . . . . . . 33 LEU C . 51787 2 135 . 1 . 1 33 33 LEU CA C 13 57.674 0.05 . . . . . . . 33 LEU CA . 51787 2 136 . 1 . 1 33 33 LEU CB C 13 42.406 0.00 . . . . . . . 33 LEU CB . 51787 2 137 . 1 . 1 33 33 LEU N N 15 124.693 0.02 . . . . . . . 33 LEU N . 51787 2 138 . 1 . 1 34 34 TRP H H 1 7.879 0.00 . . . . . . . 34 TRP H . 51787 2 139 . 1 . 1 34 34 TRP C C 13 175.959 0.04 . . . . . . . 34 TRP C . 51787 2 140 . 1 . 1 34 34 TRP CA C 13 59.924 0.03 . . . . . . . 34 TRP CA . 51787 2 141 . 1 . 1 34 34 TRP CB C 13 30.360 0.03 . . . . . . . 34 TRP CB . 51787 2 142 . 1 . 1 34 34 TRP N N 15 118.156 0.02 . . . . . . . 34 TRP N . 51787 2 143 . 1 . 1 35 35 LYS H H 1 8.069 0.00 . . . . . . . 35 LYS H . 51787 2 144 . 1 . 1 35 35 LYS C C 13 179.899 0.01 . . . . . . . 35 LYS C . 51787 2 145 . 1 . 1 35 35 LYS CA C 13 59.555 0.04 . . . . . . . 35 LYS CA . 51787 2 146 . 1 . 1 35 35 LYS CB C 13 32.346 0.01 . . . . . . . 35 LYS CB . 51787 2 147 . 1 . 1 35 35 LYS N N 15 114.350 0.01 . . . . . . . 35 LYS N . 51787 2 148 . 1 . 1 36 36 ARG H H 1 7.568 0.00 . . . . . . . 36 ARG H . 51787 2 149 . 1 . 1 36 36 ARG C C 13 178.104 0.01 . . . . . . . 36 ARG C . 51787 2 150 . 1 . 1 36 36 ARG CA C 13 59.499 0.02 . . . . . . . 36 ARG CA . 51787 2 151 . 1 . 1 36 36 ARG CB C 13 30.508 0.03 . . . . . . . 36 ARG CB . 51787 2 152 . 1 . 1 36 36 ARG N N 15 119.499 0.04 . . . . . . . 36 ARG N . 51787 2 153 . 1 . 1 37 37 ALA H H 1 8.005 0.00 . . . . . . . 37 ALA H . 51787 2 154 . 1 . 1 37 37 ALA C C 13 177.898 0.02 . . . . . . . 37 ALA C . 51787 2 155 . 1 . 1 37 37 ALA CA C 13 53.487 0.03 . . . . . . . 37 ALA CA . 51787 2 156 . 1 . 1 37 37 ALA CB C 13 17.616 0.01 . . . . . . . 37 ALA CB . 51787 2 157 . 1 . 1 37 37 ALA N N 15 122.273 0.02 . . . . . . . 37 ALA N . 51787 2 158 . 1 . 1 38 38 LEU H H 1 7.134 0.00 . . . . . . . 38 LEU H . 51787 2 159 . 1 . 1 38 38 LEU C C 13 178.654 0.00 . . . . . . . 38 LEU C . 51787 2 160 . 1 . 1 38 38 LEU CA C 13 55.234 0.02 . . . . . . . 38 LEU CA . 51787 2 161 . 1 . 1 38 38 LEU CB C 13 41.562 0.01 . . . . . . . 38 LEU CB . 51787 2 162 . 1 . 1 38 38 LEU N N 15 114.856 0.01 . . . . . . . 38 LEU N . 51787 2 163 . 1 . 1 39 39 SER H H 1 7.392 0.00 . . . . . . . 39 SER H . 51787 2 164 . 1 . 1 39 39 SER C C 13 174.960 0.00 . . . . . . . 39 SER C . 51787 2 165 . 1 . 1 39 39 SER CA C 13 59.624 0.03 . . . . . . . 39 SER CA . 51787 2 166 . 1 . 1 39 39 SER CB C 13 63.612 0.01 . . . . . . . 39 SER CB . 51787 2 167 . 1 . 1 39 39 SER N N 15 114.058 0.01 . . . . . . . 39 SER N . 51787 2 168 . 1 . 1 40 40 ARG H H 1 7.911 0.00 . . . . . . . 40 ARG H . 51787 2 169 . 1 . 1 40 40 ARG C C 13 176.391 0.01 . . . . . . . 40 ARG C . 51787 2 170 . 1 . 1 40 40 ARG CA C 13 55.586 0.12 . . . . . . . 40 ARG CA . 51787 2 171 . 1 . 1 40 40 ARG CB C 13 30.247 0.01 . . . . . . . 40 ARG CB . 51787 2 172 . 1 . 1 40 40 ARG N N 15 122.355 0.02 . . . . . . . 40 ARG N . 51787 2 173 . 1 . 1 41 41 LYS H H 1 8.093 0.00 . . . . . . . 41 LYS H . 51787 2 174 . 1 . 1 41 41 LYS C C 13 176.452 0.00 . . . . . . . 41 LYS C . 51787 2 175 . 1 . 1 41 41 LYS CA C 13 56.983 0.06 . . . . . . . 41 LYS CA . 51787 2 176 . 1 . 1 41 41 LYS CB C 13 32.904 0.03 . . . . . . . 41 LYS CB . 51787 2 177 . 1 . 1 41 41 LYS N N 15 122.340 0.02 . . . . . . . 41 LYS N . 51787 2 178 . 1 . 1 42 42 LYS H H 1 8.368 0.00 . . . . . . . 42 LYS H . 51787 2 179 . 1 . 1 42 42 LYS C C 13 175.956 0.02 . . . . . . . 42 LYS C . 51787 2 180 . 1 . 1 42 42 LYS CA C 13 56.351 0.03 . . . . . . . 42 LYS CA . 51787 2 181 . 1 . 1 42 42 LYS CB C 13 33.047 0.04 . . . . . . . 42 LYS CB . 51787 2 182 . 1 . 1 42 42 LYS N N 15 122.594 0.02 . . . . . . . 42 LYS N . 51787 2 183 . 1 . 1 43 43 GLY H H 1 7.977 0.00 . . . . . . . 43 GLY H . 51787 2 184 . 1 . 1 43 43 GLY C C 13 179.002 0.00 . . . . . . . 43 GLY C . 51787 2 185 . 1 . 1 43 43 GLY CA C 13 46.172 0.01 . . . . . . . 43 GLY CA . 51787 2 186 . 1 . 1 43 43 GLY N N 15 116.403 0.01 . . . . . . . 43 GLY N . 51787 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51787 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'Rec114b assignments' _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 'These are the assignments for the second Rec114 chain (Rec114 B) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51787 3 2 '3D CBCA(CO)NH' . . . 51787 3 3 '3D HNCACB' . . . 51787 3 4 '3D HNCO' . . . 51787 3 5 '3D HNCACO' . . . 51787 3 6 '3D HNCA' . . . 51787 3 7 '3D HNN' . . . 51787 3 8 '3D HCC(CO)NH TOCSY' . . . 51787 3 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 . . 51787 3 3 $software_3 . . 51787 3 4 $software_4 . . 51787 3 5 $software_5 . . 51787 3 6 $software_6 . . 51787 3 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 . 3 . 2 26 26 LYS C C 13 177.961 0.00 . . . . . . . 399 LYS C . 51787 3 2 . 3 . 2 26 26 LYS CA C 13 60.660 0.02 . . . . . . . 399 LYS CA . 51787 3 3 . 3 . 2 26 26 LYS CB C 13 32.110 0.00 . . . . . . . 399 LYS CB . 51787 3 4 . 3 . 2 27 27 ARG H H 1 8.080 0.00 . . . . . . . 400 ARG H . 51787 3 5 . 3 . 2 27 27 ARG C C 13 177.948 0.02 . . . . . . . 400 ARG C . 51787 3 6 . 3 . 2 27 27 ARG CA C 13 59.523 0.02 . . . . . . . 400 ARG CA . 51787 3 7 . 3 . 2 27 27 ARG CB C 13 29.734 0.09 . . . . . . . 400 ARG CB . 51787 3 8 . 3 . 2 27 27 ARG N N 15 118.035 0.02 . . . . . . . 400 ARG N . 51787 3 9 . 3 . 2 28 28 LEU H H 1 7.605 0.00 . . . . . . . 401 LEU H . 51787 3 10 . 3 . 2 28 28 LEU C C 13 178.579 0.02 . . . . . . . 401 LEU C . 51787 3 11 . 3 . 2 28 28 LEU CA C 13 57.897 0.02 . . . . . . . 401 LEU CA . 51787 3 12 . 3 . 2 28 28 LEU CB C 13 42.040 0.04 . . . . . . . 401 LEU CB . 51787 3 13 . 3 . 2 28 28 LEU N N 15 121.203 0.01 . . . . . . . 401 LEU N . 51787 3 14 . 3 . 2 29 29 ILE H H 1 7.782 0.01 . . . . . . . 402 ILE H . 51787 3 15 . 3 . 2 29 29 ILE C C 13 177.150 0.01 . . . . . . . 402 ILE C . 51787 3 16 . 3 . 2 29 29 ILE CA C 13 66.332 0.05 . . . . . . . 402 ILE CA . 51787 3 17 . 3 . 2 29 29 ILE CB C 13 38.300 0.08 . . . . . . . 402 ILE CB . 51787 3 18 . 3 . 2 29 29 ILE N N 15 117.711 0.01 . . . . . . . 402 ILE N . 51787 3 19 . 3 . 2 30 30 LYS H H 1 8.186 0.00 . . . . . . . 403 LYS H . 51787 3 20 . 3 . 2 30 30 LYS C C 13 178.988 0.02 . . . . . . . 403 LYS C . 51787 3 21 . 3 . 2 30 30 LYS CA C 13 60.338 0.02 . . . . . . . 403 LYS CA . 51787 3 22 . 3 . 2 30 30 LYS CB C 13 32.344 0.03 . . . . . . . 403 LYS CB . 51787 3 23 . 3 . 2 30 30 LYS N N 15 117.070 0.01 . . . . . . . 403 LYS N . 51787 3 24 . 3 . 2 31 31 GLU H H 1 7.852 0.00 . . . . . . . 404 GLU H . 51787 3 25 . 3 . 2 31 31 GLU C C 13 179.913 0.01 . . . . . . . 404 GLU C . 51787 3 26 . 3 . 2 31 31 GLU CA C 13 59.349 0.02 . . . . . . . 404 GLU CA . 51787 3 27 . 3 . 2 31 31 GLU CB C 13 29.463 0.03 . . . . . . . 404 GLU CB . 51787 3 28 . 3 . 2 31 31 GLU N N 15 117.624 0.02 . . . . . . . 404 GLU N . 51787 3 29 . 3 . 2 32 32 LYS H H 1 7.983 0.00 . . . . . . . 405 LYS H . 51787 3 30 . 3 . 2 32 32 LYS C C 13 178.032 0.00 . . . . . . . 405 LYS C . 51787 3 31 . 3 . 2 32 32 LYS CA C 13 57.975 0.04 . . . . . . . 405 LYS CA . 51787 3 32 . 3 . 2 32 32 LYS CB C 13 29.896 0.05 . . . . . . . 405 LYS CB . 51787 3 33 . 3 . 2 32 32 LYS N N 15 120.357 0.02 . . . . . . . 405 LYS N . 51787 3 34 . 3 . 2 33 33 LEU H H 1 7.857 0.00 . . . . . . . 406 LEU H . 51787 3 35 . 3 . 2 33 33 LEU C C 13 178.067 0.00 . . . . . . . 406 LEU C . 51787 3 36 . 3 . 2 33 33 LEU CA C 13 56.998 0.03 . . . . . . . 406 LEU CA . 51787 3 37 . 3 . 2 33 33 LEU CB C 13 41.155 0.02 . . . . . . . 406 LEU CB . 51787 3 38 . 3 . 2 33 33 LEU N N 15 114.496 0.03 . . . . . . . 406 LEU N . 51787 3 39 . 3 . 2 34 34 LYS H H 1 7.177 0.00 . . . . . . . 407 LYS H . 51787 3 40 . 3 . 2 34 34 LYS C C 13 175.422 0.01 . . . . . . . 407 LYS C . 51787 3 41 . 3 . 2 34 34 LYS CA C 13 55.630 0.03 . . . . . . . 407 LYS CA . 51787 3 42 . 3 . 2 34 34 LYS CB C 13 32.803 0.03 . . . . . . . 407 LYS CB . 51787 3 43 . 3 . 2 34 34 LYS N N 15 114.823 0.02 . . . . . . . 407 LYS N . 51787 3 44 . 3 . 2 35 35 ASP H H 1 7.574 0.00 . . . . . . . 408 ASP H . 51787 3 45 . 3 . 2 35 35 ASP C C 13 175.879 0.02 . . . . . . . 408 ASP C . 51787 3 46 . 3 . 2 35 35 ASP CA C 13 53.268 0.05 . . . . . . . 408 ASP CA . 51787 3 47 . 3 . 2 35 35 ASP CB C 13 41.515 0.02 . . . . . . . 408 ASP CB . 51787 3 48 . 3 . 2 35 35 ASP N N 15 122.657 0.01 . . . . . . . 408 ASP N . 51787 3 49 . 3 . 2 36 36 GLU H H 1 8.939 0.00 . . . . . . . 409 GLU H . 51787 3 50 . 3 . 2 36 36 GLU C C 13 179.274 0.00 . . . . . . . 409 GLU C . 51787 3 51 . 3 . 2 36 36 GLU CA C 13 59.865 0.04 . . . . . . . 409 GLU CA . 51787 3 52 . 3 . 2 36 36 GLU CB C 13 29.894 0.08 . . . . . . . 409 GLU CB . 51787 3 53 . 3 . 2 36 36 GLU N N 15 126.867 0.02 . . . . . . . 409 GLU N . 51787 3 54 . 3 . 2 37 37 GLU H H 1 8.282 0.00 . . . . . . . 410 GLU H . 51787 3 55 . 3 . 2 37 37 GLU C C 13 179.414 0.03 . . . . . . . 410 GLU C . 51787 3 56 . 3 . 2 37 37 GLU CA C 13 59.035 0.03 . . . . . . . 410 GLU CA . 51787 3 57 . 3 . 2 37 37 GLU CB C 13 28.981 0.02 . . . . . . . 410 GLU CB . 51787 3 58 . 3 . 2 37 37 GLU N N 15 117.858 0.02 . . . . . . . 410 GLU N . 51787 3 59 . 3 . 2 38 38 PHE H H 1 8.043 0.00 . . . . . . . 411 PHE H . 51787 3 60 . 3 . 2 38 38 PHE C C 13 176.991 0.01 . . . . . . . 411 PHE C . 51787 3 61 . 3 . 2 38 38 PHE CA C 13 62.130 0.02 . . . . . . . 411 PHE CA . 51787 3 62 . 3 . 2 38 38 PHE CB C 13 38.825 0.01 . . . . . . . 411 PHE CB . 51787 3 63 . 3 . 2 38 38 PHE N N 15 124.406 0.02 . . . . . . . 411 PHE N . 51787 3 64 . 3 . 2 39 39 ILE H H 1 8.295 0.00 . . . . . . . 412 ILE H . 51787 3 65 . 3 . 2 39 39 ILE C C 13 178.493 0.02 . . . . . . . 412 ILE C . 51787 3 66 . 3 . 2 39 39 ILE CA C 13 62.389 0.03 . . . . . . . 412 ILE CA . 51787 3 67 . 3 . 2 39 39 ILE CB C 13 36.077 0.03 . . . . . . . 412 ILE CB . 51787 3 68 . 3 . 2 39 39 ILE N N 15 119.008 0.02 . . . . . . . 412 ILE N . 51787 3 69 . 3 . 2 40 40 LYS H H 1 8.036 0.00 . . . . . . . 413 LYS H . 51787 3 70 . 3 . 2 40 40 LYS C C 13 179.320 0.01 . . . . . . . 413 LYS C . 51787 3 71 . 3 . 2 40 40 LYS CA C 13 60.210 0.08 . . . . . . . 413 LYS CA . 51787 3 72 . 3 . 2 40 40 LYS CB C 13 32.842 0.01 . . . . . . . 413 LYS CB . 51787 3 73 . 3 . 2 40 40 LYS N N 15 119.285 0.02 . . . . . . . 413 LYS N . 51787 3 74 . 3 . 2 41 41 TRP H H 1 7.747 0.00 . . . . . . . 414 TRP H . 51787 3 75 . 3 . 2 41 41 TRP C C 13 176.558 0.02 . . . . . . . 414 TRP C . 51787 3 76 . 3 . 2 41 41 TRP CA C 13 61.828 0.02 . . . . . . . 414 TRP CA . 51787 3 77 . 3 . 2 41 41 TRP CB C 13 26.809 0.01 . . . . . . . 414 TRP CB . 51787 3 78 . 3 . 2 41 41 TRP N N 15 122.757 0.01 . . . . . . . 414 TRP N . 51787 3 79 . 3 . 2 42 42 VAL H H 1 8.319 0.00 . . . . . . . 415 VAL H . 51787 3 80 . 3 . 2 42 42 VAL C C 13 178.157 0.01 . . . . . . . 415 VAL C . 51787 3 81 . 3 . 2 42 42 VAL CA C 13 65.933 0.04 . . . . . . . 415 VAL CA . 51787 3 82 . 3 . 2 42 42 VAL CB C 13 30.955 0.09 . . . . . . . 415 VAL CB . 51787 3 83 . 3 . 2 42 42 VAL N N 15 120.375 0.03 . . . . . . . 415 VAL N . 51787 3 84 . 3 . 2 43 43 ASN H H 1 7.989 0.00 . . . . . . . 416 ASN H . 51787 3 85 . 3 . 2 43 43 ASN C C 13 178.312 0.02 . . . . . . . 416 ASN C . 51787 3 86 . 3 . 2 43 43 ASN CA C 13 56.091 0.02 . . . . . . . 416 ASN CA . 51787 3 87 . 3 . 2 43 43 ASN CB C 13 37.336 0.01 . . . . . . . 416 ASN CB . 51787 3 88 . 3 . 2 43 43 ASN N N 15 116.085 0.03 . . . . . . . 416 ASN N . 51787 3 89 . 3 . 2 44 44 LYS H H 1 7.768 0.00 . . . . . . . 417 LYS H . 51787 3 90 . 3 . 2 44 44 LYS C C 13 179.356 0.02 . . . . . . . 417 LYS C . 51787 3 91 . 3 . 2 44 44 LYS CA C 13 59.937 0.03 . . . . . . . 417 LYS CA . 51787 3 92 . 3 . 2 44 44 LYS CB C 13 32.441 0.10 . . . . . . . 417 LYS CB . 51787 3 93 . 3 . 2 44 44 LYS N N 15 122.841 0.02 . . . . . . . 417 LYS N . 51787 3 94 . 3 . 2 45 45 VAL H H 1 8.422 0.00 . . . . . . . 418 VAL H . 51787 3 95 . 3 . 2 45 45 VAL C C 13 177.726 0.00 . . . . . . . 418 VAL C . 51787 3 96 . 3 . 2 45 45 VAL CA C 13 67.497 0.05 . . . . . . . 418 VAL CA . 51787 3 97 . 3 . 2 45 45 VAL CB C 13 30.670 0.02 . . . . . . . 418 VAL CB . 51787 3 98 . 3 . 2 45 45 VAL N N 15 122.681 0.01 . . . . . . . 418 VAL N . 51787 3 99 . 3 . 2 46 46 GLU H H 1 8.706 0.00 . . . . . . . 419 GLU H . 51787 3 100 . 3 . 2 46 46 GLU C C 13 177.965 0.05 . . . . . . . 419 GLU C . 51787 3 101 . 3 . 2 46 46 GLU CA C 13 60.980 0.01 . . . . . . . 419 GLU CA . 51787 3 102 . 3 . 2 46 46 GLU CB C 13 28.991 0.04 . . . . . . . 419 GLU CB . 51787 3 103 . 3 . 2 46 46 GLU N N 15 120.728 0.02 . . . . . . . 419 GLU N . 51787 3 104 . 3 . 2 47 47 THR H H 1 7.846 0.00 . . . . . . . 420 THR H . 51787 3 105 . 3 . 2 47 47 THR C C 13 176.809 0.00 . . . . . . . 420 THR C . 51787 3 106 . 3 . 2 47 47 THR CA C 13 66.941 0.05 . . . . . . . 420 THR CA . 51787 3 107 . 3 . 2 47 47 THR CB C 13 68.916 0.06 . . . . . . . 420 THR CB . 51787 3 108 . 3 . 2 47 47 THR N N 15 114.617 0.03 . . . . . . . 420 THR N . 51787 3 109 . 3 . 2 48 48 VAL H H 1 7.748 0.00 . . . . . . . 421 VAL H . 51787 3 110 . 3 . 2 48 48 VAL C C 13 178.472 0.01 . . . . . . . 421 VAL C . 51787 3 111 . 3 . 2 48 48 VAL CA C 13 66.984 0.06 . . . . . . . 421 VAL CA . 51787 3 112 . 3 . 2 48 48 VAL CB C 13 31.584 0.04 . . . . . . . 421 VAL CB . 51787 3 113 . 3 . 2 48 48 VAL N N 15 123.644 0.02 . . . . . . . 421 VAL N . 51787 3 114 . 3 . 2 49 49 LEU H H 1 8.915 0.00 . . . . . . . 422 LEU H . 51787 3 115 . 3 . 2 49 49 LEU C C 13 178.423 0.02 . . . . . . . 422 LEU C . 51787 3 116 . 3 . 2 49 49 LEU CA C 13 58.290 0.03 . . . . . . . 422 LEU CA . 51787 3 117 . 3 . 2 49 49 LEU CB C 13 43.269 0.04 . . . . . . . 422 LEU CB . 51787 3 118 . 3 . 2 49 49 LEU N N 15 122.040 0.02 . . . . . . . 422 LEU N . 51787 3 119 . 3 . 2 50 50 ASN H H 1 8.627 0.00 . . . . . . . 423 ASN H . 51787 3 120 . 3 . 2 50 50 ASN C C 13 177.196 0.02 . . . . . . . 423 ASN C . 51787 3 121 . 3 . 2 50 50 ASN CA C 13 56.443 0.08 . . . . . . . 423 ASN CA . 51787 3 122 . 3 . 2 50 50 ASN CB C 13 39.385 0.02 . . . . . . . 423 ASN CB . 51787 3 123 . 3 . 2 50 50 ASN N N 15 115.741 0.01 . . . . . . . 423 ASN N . 51787 3 124 . 3 . 2 51 51 LYS H H 1 7.456 0.00 . . . . . . . 424 LYS H . 51787 3 125 . 3 . 2 51 51 LYS C C 13 178.773 0.00 . . . . . . . 424 LYS C . 51787 3 126 . 3 . 2 51 51 LYS CA C 13 57.664 0.03 . . . . . . . 424 LYS CA . 51787 3 127 . 3 . 2 51 51 LYS CB C 13 32.116 0.02 . . . . . . . 424 LYS CB . 51787 3 128 . 3 . 2 51 51 LYS N N 15 116.653 0.01 . . . . . . . 424 LYS N . 51787 3 129 . 3 . 2 52 52 MET H H 1 8.092 0.00 . . . . . . . 425 MET H . 51787 3 130 . 3 . 2 52 52 MET C C 13 176.806 0.00 . . . . . . . 425 MET C . 51787 3 131 . 3 . 2 52 52 MET CA C 13 58.633 0.04 . . . . . . . 425 MET CA . 51787 3 132 . 3 . 2 52 52 MET CB C 13 34.954 0.02 . . . . . . . 425 MET CB . 51787 3 133 . 3 . 2 52 52 MET N N 15 118.431 0.01 . . . . . . . 425 MET N . 51787 3 134 . 3 . 2 53 53 PHE H H 1 7.536 0.00 . . . . . . . 426 PHE H . 51787 3 135 . 3 . 2 53 53 PHE C C 13 174.879 0.01 . . . . . . . 426 PHE C . 51787 3 136 . 3 . 2 53 53 PHE CA C 13 56.600 0.01 . . . . . . . 426 PHE CA . 51787 3 137 . 3 . 2 53 53 PHE CB C 13 38.728 0.02 . . . . . . . 426 PHE CB . 51787 3 138 . 3 . 2 53 53 PHE N N 15 116.258 0.01 . . . . . . . 426 PHE N . 51787 3 139 . 3 . 2 54 54 GLU H H 1 7.755 0.00 . . . . . . . 427 GLU H . 51787 3 140 . 3 . 2 54 54 GLU C C 13 175.966 0.02 . . . . . . . 427 GLU C . 51787 3 141 . 3 . 2 54 54 GLU CA C 13 57.884 0.02 . . . . . . . 427 GLU CA . 51787 3 142 . 3 . 2 54 54 GLU CB C 13 30.549 0.02 . . . . . . . 427 GLU CB . 51787 3 143 . 3 . 2 54 54 GLU CG C 13 36.351 0.00 . . . . . . . 427 GLU CG . 51787 3 144 . 3 . 2 54 54 GLU N N 15 122.349 0.02 . . . . . . . 427 GLU N . 51787 3 145 . 3 . 2 55 55 LYS H H 1 7.981 0.00 . . . . . . . 428 LYS H . 51787 3 146 . 3 . 2 55 55 LYS C C 13 180.924 0.00 . . . . . . . 428 LYS C . 51787 3 147 . 3 . 2 55 55 LYS CA C 13 57.974 0.00 . . . . . . . 428 LYS CA . 51787 3 148 . 3 . 2 55 55 LYS CB C 13 33.795 0.00 . . . . . . . 428 LYS CB . 51787 3 149 . 3 . 2 55 55 LYS N N 15 125.202 0.01 . . . . . . . 428 LYS N . 51787 3 stop_ save_