data_5076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5076 _Entry.Title ; Resonance Assignment of the unfolded states of Cold Shock Domain of the human YB-1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-10 _Entry.Accession_date 2001-07-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The data reported here represent the unfolded states of the single stranded DNA binding cold shock domain fragment (methionine plus residues 52-129) of the human Y box protein YB1 as present in solution. No denaturants are added to the samples. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cathelijne Kloks . P.A.M. . 5076 2 Astrid Hoffmann . . . 5076 3 James Omichinski . G. . 5076 4 Geerten Vuister . W. . 5076 5 Cornelis Hilbers . W. . 5076 6 Stephan Grzesiek . . . 5076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 5076 coupling_constants 3 5076 heteronucl_T1_relaxation 6 5076 heteronucl_NOEs 2 5076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 121 5076 '13C chemical shifts' 60 5076 '15N chemical shifts' 42 5076 'coupling constants' 17 5076 'T1 relaxation values' 63 5076 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 . . 2002-11-19 . update author 'new data in chemical shift tables' 5076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4147 'data for folded protein' 5076 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99052121 _Citation.DOI . _Citation.PubMed_ID 9835056 _Citation.Full_citation . _Citation.Title ; Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 463 _Citation.Page_last 464 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cathelijne Kloks . P.A.M. . 5076 1 2 Astrid Hoffmann . . . 5076 1 3 James Omichinski . G. . 5076 1 4 Geerten Vuister . W. . 5076 1 5 Cornelis Hilbers . W. . 5076 1 6 Stephan Grzesiek . . . 5076 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cold shock domain' 5076 1 'NMR assignments' 5076 1 'OB fold' 5076 1 'Y-box protein' 5076 1 unfolded 5076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YB1-CSD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YB1-CSD _Assembly.Entry_ID 5076 _Assembly.ID 1 _Assembly.Name 'Cold Shock domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5076 1 stop_ 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 'Cold Shock domain' 1 $YB1-CSD . . . unfolded . . . . . 5076 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SWISS-PROT P16991 . . . . . . 5076 1 . GenBank G340419 . . . . . . 5076 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cold Shock domain' system 5076 1 YB1-CSD abbreviation 5076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YB1-CSD _Entity.Sf_category entity _Entity.Sf_framecode YB1-CSD _Entity.Entry_ID 5076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cold Shock domain' _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 ; MKKVIATKVLGTVKWFNVRN GYGFINRNDTKEDVFVHQTA IKKNNPRKYLRSVGDGETVE FDVVEGEKGAEAANVTGPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17225 . CSD . . . . . 100.00 79 100.00 100.00 1.65e-48 . . . . 5076 1 2 no BMRB 4147 . YB1-CSD . . . . . 100.00 79 100.00 100.00 1.65e-48 . . . . 5076 1 3 no PDB 1H95 . "Solution Structure Of The Single-Stranded Dna-Binding Cold Shock Domain (Csd) Of Human Y-Box Protein 1 (Yb1) Determined By Nmr " . . . . . 100.00 79 100.00 100.00 1.65e-48 . . . . 5076 1 4 no DBJ BAA02569 . "DNA binding protein B [Rattus sp.]" . . . . . 98.73 322 100.00 100.00 3.39e-47 . . . . 5076 1 5 no DBJ BAA03376 . "dbpA murine homologue [Mus musculus domesticus]" . . . . . 97.47 308 98.70 100.00 6.54e-43 . . . . 5076 1 6 no DBJ BAA05380 . "unnamed protein product [Gallus gallus]" . . . . . 98.73 326 100.00 100.00 5.18e-47 . . . . 5076 1 7 no DBJ BAA19849 . "Y box protein 1 [Carassius auratus]" . . . . . 98.73 311 100.00 100.00 4.48e-47 . . . . 5076 1 8 no DBJ BAC45236 . "Y-box binding protein [Oryzias latipes]" . . . . . 98.73 306 100.00 100.00 5.43e-47 . . . . 5076 1 9 no EMBL CAA40847 . "Y box-binbing protein [Mus musculus]" . . . . . 98.73 321 100.00 100.00 2.95e-47 . . . . 5076 1 10 no EMBL CAA42778 . "YB3 [Xenopus laevis]" . . . . . 98.73 305 100.00 100.00 4.97e-47 . . . . 5076 1 11 no EMBL CAA51261 . "cold shock domain protein A [Homo sapiens]" . . . . . 97.47 372 98.70 100.00 4.16e-46 . . . . 5076 1 12 no EMBL CAA64631 . "DNA-binding protein [Homo sapiens]" . . . . . 97.47 372 98.70 100.00 4.16e-46 . . . . 5076 1 13 no EMBL CAB46826 . "DNA binding protein [Canis lupus familiaris]" . . . . . 78.48 96 98.39 100.00 8.91e-35 . . . . 5076 1 14 no GB AAA02573 . "YB-1 protein [Gallus gallus]" . . . . . 98.73 321 100.00 100.00 3.89e-47 . . . . 5076 1 15 no GB AAA20871 . "similar to dbpB protein [Homo sapiens]" . . . . . 98.73 324 100.00 100.00 3.83e-47 . . . . 5076 1 16 no GB AAA21677 . "transcription factor EF1(A) [Bos taurus]" . . . . . 72.15 110 100.00 100.00 4.24e-33 . . . . 5076 1 17 no GB AAA30497 . "transcription factor EF1(A) [Bos taurus]" . . . . . 98.73 324 100.00 100.00 3.83e-47 . . . . 5076 1 18 no GB AAA35749 . "DNA-binding protein A, partial [Homo sapiens]" . . . . . 97.47 412 98.70 100.00 8.55e-43 . . . . 5076 1 19 no PRF 2210343A . "nicotinic acetylcholine receptor repressor" . . . . . 97.47 361 98.70 100.00 5.13e-46 . . . . 5076 1 20 no REF NP_001003127 . "DNA-binding protein A [Canis lupus familiaris]" . . . . . 97.47 304 97.40 98.70 3.22e-46 . . . . 5076 1 21 no REF NP_001016677 . "Y box binding protein 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.73 306 100.00 100.00 5.60e-47 . . . . 5076 1 22 no REF NP_001076254 . "nuclease-sensitive element-binding protein 1 [Oryctolagus cuniculus]" . . . . . 98.73 324 100.00 100.00 3.67e-47 . . . . 5076 1 23 no REF NP_001079367 . "nuclease-sensitive element-binding protein 1 [Xenopus laevis]" . . . . . 97.47 303 100.00 100.00 2.19e-46 . . . . 5076 1 24 no REF NP_001080330 . "B box-binding protein [Xenopus laevis]" . . . . . 98.73 305 100.00 100.00 4.97e-47 . . . . 5076 1 25 no SP P16989 . "RecName: Full=Y-box-binding protein 3; AltName: Full=Cold shock domain-containing protein A; AltName: Full=DNA-binding protein " . . . . . 97.47 372 98.70 100.00 4.16e-46 . . . . 5076 1 26 no SP P21573 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=Y-box transcription factor; AltName: Full=Y-box-bindi" . . . . . 97.47 303 100.00 100.00 2.05e-46 . . . . 5076 1 27 no SP P62960 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 322 100.00 100.00 3.39e-47 . . . . 5076 1 28 no SP P62961 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 322 100.00 100.00 3.39e-47 . . . . 5076 1 29 no SP P67808 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 324 100.00 100.00 3.83e-47 . . . . 5076 1 30 no TPG DAA29365 . "TPA: cold shock domain protein A [Bos taurus]" . . . . . 97.47 376 98.70 100.00 9.16e-43 . . . . 5076 1 31 no TPG DAA30957 . "TPA: nuclease-sensitive element-binding protein 1 [Bos taurus]" . . . . . 98.73 324 100.00 100.00 3.83e-47 . . . . 5076 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cold Shock domain' common 5076 1 YB1-CSD abbreviation 5076 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5076 1 2 . LYS . 5076 1 3 . LYS . 5076 1 4 . VAL . 5076 1 5 . ILE . 5076 1 6 . ALA . 5076 1 7 . THR . 5076 1 8 . LYS . 5076 1 9 . VAL . 5076 1 10 . LEU . 5076 1 11 . GLY . 5076 1 12 . THR . 5076 1 13 . VAL . 5076 1 14 . LYS . 5076 1 15 . TRP . 5076 1 16 . PHE . 5076 1 17 . ASN . 5076 1 18 . VAL . 5076 1 19 . ARG . 5076 1 20 . ASN . 5076 1 21 . GLY . 5076 1 22 . TYR . 5076 1 23 . GLY . 5076 1 24 . PHE . 5076 1 25 . ILE . 5076 1 26 . ASN . 5076 1 27 . ARG . 5076 1 28 . ASN . 5076 1 29 . ASP . 5076 1 30 . THR . 5076 1 31 . LYS . 5076 1 32 . GLU . 5076 1 33 . ASP . 5076 1 34 . VAL . 5076 1 35 . PHE . 5076 1 36 . VAL . 5076 1 37 . HIS . 5076 1 38 . GLN . 5076 1 39 . THR . 5076 1 40 . ALA . 5076 1 41 . ILE . 5076 1 42 . LYS . 5076 1 43 . LYS . 5076 1 44 . ASN . 5076 1 45 . ASN . 5076 1 46 . PRO . 5076 1 47 . ARG . 5076 1 48 . LYS . 5076 1 49 . TYR . 5076 1 50 . LEU . 5076 1 51 . ARG . 5076 1 52 . SER . 5076 1 53 . VAL . 5076 1 54 . GLY . 5076 1 55 . ASP . 5076 1 56 . GLY . 5076 1 57 . GLU . 5076 1 58 . THR . 5076 1 59 . VAL . 5076 1 60 . GLU . 5076 1 61 . PHE . 5076 1 62 . ASP . 5076 1 63 . VAL . 5076 1 64 . VAL . 5076 1 65 . GLU . 5076 1 66 . GLY . 5076 1 67 . GLU . 5076 1 68 . LYS . 5076 1 69 . GLY . 5076 1 70 . ALA . 5076 1 71 . GLU . 5076 1 72 . ALA . 5076 1 73 . ALA . 5076 1 74 . ASN . 5076 1 75 . VAL . 5076 1 76 . THR . 5076 1 77 . GLY . 5076 1 78 . PRO . 5076 1 79 . GLY . 5076 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 5076 1 . LYS 2 2 5076 1 . LYS 3 3 5076 1 . VAL 4 4 5076 1 . ILE 5 5 5076 1 . ALA 6 6 5076 1 . THR 7 7 5076 1 . LYS 8 8 5076 1 . VAL 9 9 5076 1 . LEU 10 10 5076 1 . GLY 11 11 5076 1 . THR 12 12 5076 1 . VAL 13 13 5076 1 . LYS 14 14 5076 1 . TRP 15 15 5076 1 . PHE 16 16 5076 1 . ASN 17 17 5076 1 . VAL 18 18 5076 1 . ARG 19 19 5076 1 . ASN 20 20 5076 1 . GLY 21 21 5076 1 . TYR 22 22 5076 1 . GLY 23 23 5076 1 . PHE 24 24 5076 1 . ILE 25 25 5076 1 . ASN 26 26 5076 1 . ARG 27 27 5076 1 . ASN 28 28 5076 1 . ASP 29 29 5076 1 . THR 30 30 5076 1 . LYS 31 31 5076 1 . GLU 32 32 5076 1 . ASP 33 33 5076 1 . VAL 34 34 5076 1 . PHE 35 35 5076 1 . VAL 36 36 5076 1 . HIS 37 37 5076 1 . GLN 38 38 5076 1 . THR 39 39 5076 1 . ALA 40 40 5076 1 . ILE 41 41 5076 1 . LYS 42 42 5076 1 . LYS 43 43 5076 1 . ASN 44 44 5076 1 . ASN 45 45 5076 1 . PRO 46 46 5076 1 . ARG 47 47 5076 1 . LYS 48 48 5076 1 . TYR 49 49 5076 1 . LEU 50 50 5076 1 . ARG 51 51 5076 1 . SER 52 52 5076 1 . VAL 53 53 5076 1 . GLY 54 54 5076 1 . ASP 55 55 5076 1 . GLY 56 56 5076 1 . GLU 57 57 5076 1 . THR 58 58 5076 1 . VAL 59 59 5076 1 . GLU 60 60 5076 1 . PHE 61 61 5076 1 . ASP 62 62 5076 1 . VAL 63 63 5076 1 . VAL 64 64 5076 1 . GLU 65 65 5076 1 . GLY 66 66 5076 1 . GLU 67 67 5076 1 . LYS 68 68 5076 1 . GLY 69 69 5076 1 . ALA 70 70 5076 1 . GLU 71 71 5076 1 . ALA 72 72 5076 1 . ALA 73 73 5076 1 . ASN 74 74 5076 1 . VAL 75 75 5076 1 . THR 76 76 5076 1 . GLY 77 77 5076 1 . PRO 78 78 5076 1 . GLY 79 79 5076 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5076 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $YB1-CSD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5076 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5076 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $YB1-CSD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . . . . 5076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5076 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Cold Shock domain' [U-15N] . . 1 $YB1-CSD . . 1.5 . . mM . . . . 5076 1 2 H2O . . . . . . . 90 . . % . . . . 5076 1 3 D2O . . . . . . . 10 . . % . . . . 5076 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5076 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Cold Shock domain' '[U-15N; U-13C]' . . 1 $YB1-CSD . . 1.5 . . mM . . . . 5076 2 2 H2O . . . . . . . 90 . . % . . . . 5076 2 3 D2O . . . . . . . 10 . . % . . . . 5076 2 stop_ save_ save_sample3 _Sample.Sf_category sample _Sample.Sf_framecode sample3 _Sample.Entry_ID 5076 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Cold Shock domain' '[U-15N; U-13C]' . . 1 $YB1-CSD . . 1.5 . . mM . . . . 5076 3 2 D2O . . . . . . . 100 . . % . . . . 5076 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 5076 _Sample_condition_list.ID 1 _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 6.7 . n/a 5076 1 temperature 303 . K 5076 1 stop_ save_ ############################ # Computer software used # ############################ save_nLinLS _Software.Sf_category software _Software.Sf_framecode nLinLS _Software.Entry_ID 5076 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details ; The nLinLS program is part of the nmrPipe package and is used to fit the exponential decay of the relaxation experiments. ; 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 5076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5076 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5076 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5076 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5076 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 5076 1 3 NMR_spectrometer_3 Varian Inova . 500 . . . 5076 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5076 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 5076 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5076 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 . direct . . . . 1 $entry_citation . . 1 $entry_citation 5076 1 N 15 'liquid NH3' nitrogen . . . . ppm 0.00 . indirect . . . . 1 $entry_citation . . 1 $entry_citation 5076 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'Major unfolded state of cold shock domain of human YB-1 protein.' _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 $sample1 . 5076 1 . . 2 $sample2 . 5076 1 . . 3 $sample3 . 5076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.560 . . 1 . . . . . . . . 5076 1 2 . 1 1 3 3 LYS N N 15 123.984 . . 1 . . . . . . . . 5076 1 3 . 1 1 4 4 VAL HA H 1 4.18 . . 1 . . . . . . . . 5076 1 4 . 1 1 4 4 VAL CA C 13 62.22 . . 1 . . . . . . . . 5076 1 5 . 1 1 5 5 ILE H H 1 8.306 . . 1 . . . . . . . . 5076 1 6 . 1 1 5 5 ILE CA C 13 60.70 . . 1 . . . . . . . . 5076 1 7 . 1 1 5 5 ILE N N 15 125.984 . . 1 . . . . . . . . 5076 1 8 . 1 1 6 6 ALA H H 1 8.407 . . 1 . . . . . . . . 5076 1 9 . 1 1 6 6 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5076 1 10 . 1 1 6 6 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5076 1 11 . 1 1 6 6 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5076 1 12 . 1 1 6 6 ALA N N 15 129.010 . . 1 . . . . . . . . 5076 1 13 . 1 1 9 9 VAL H H 1 8.145 . . 1 . . . . . . . . 5076 1 14 . 1 1 9 9 VAL N N 15 123.425 . . 1 . . . . . . . . 5076 1 15 . 1 1 10 10 LEU H H 1 8.333 . . 1 . . . . . . . . 5076 1 16 . 1 1 10 10 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 5076 1 17 . 1 1 10 10 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 5076 1 18 . 1 1 10 10 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 5076 1 19 . 1 1 10 10 LEU N N 15 122.150 . . 1 . . . . . . . . 5076 1 20 . 1 1 11 11 GLY H H 1 8.207 . . 1 . . . . . . . . 5076 1 21 . 1 1 11 11 GLY N N 15 108.537 . . 1 . . . . . . . . 5076 1 22 . 1 1 12 12 THR H H 1 8.000 . . 1 . . . . . . . . 5076 1 23 . 1 1 12 12 THR N N 15 113.90 . . 1 . . . . . . . . 5076 1 24 . 1 1 15 15 TRP HD1 H 1 7.13 . . 1 . . . . . . . . 5076 1 25 . 1 1 15 15 TRP HE1 H 1 10.094 . . 1 . . . . . . . . 5076 1 26 . 1 1 15 15 TRP NE1 N 15 129.384 . . 1 . . . . . . . . 5076 1 27 . 1 1 16 16 PHE H H 1 7.91 . . 1 . . . . . . . . 5076 1 28 . 1 1 19 19 ARG H H 1 8.056 . . 1 . . . . . . . . 5076 1 29 . 1 1 19 19 ARG N N 15 120.022 . . 1 . . . . . . . . 5076 1 30 . 1 1 25 25 ILE H H 1 8.05 . . 1 . . . . . . . . 5076 1 31 . 1 1 25 25 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 5076 1 32 . 1 1 25 25 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 5076 1 33 . 1 1 25 25 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 5076 1 34 . 1 1 26 26 ASN HD21 H 1 7.57 . . 2 . . . . . . . . 5076 1 35 . 1 1 26 26 ASN HD22 H 1 6.91 . . 2 . . . . . . . . 5076 1 36 . 1 1 27 27 ARG H H 1 8.35 . . 1 . . . . . . . . 5076 1 37 . 1 1 28 28 ASN H H 1 8.49 . . 1 . . . . . . . . 5076 1 38 . 1 1 29 29 ASP H H 1 8.30 . . 1 . . . . . . . . 5076 1 39 . 1 1 29 29 ASP HA H 1 4.66 . . 1 . . . . . . . . 5076 1 40 . 1 1 29 29 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 5076 1 41 . 1 1 29 29 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 5076 1 42 . 1 1 29 29 ASP CA C 13 54.43 . . 1 . . . . . . . . 5076 1 43 . 1 1 29 29 ASP CB C 13 41.21 . . 1 . . . . . . . . 5076 1 44 . 1 1 30 30 THR H H 1 8.05 . . 1 . . . . . . . . 5076 1 45 . 1 1 30 30 THR CA C 13 61.93 . . 1 . . . . . . . . 5076 1 46 . 1 1 30 30 THR CB C 13 69.94 . . 1 . . . . . . . . 5076 1 47 . 1 1 30 30 THR N N 15 114.023 . . 1 . . . . . . . . 5076 1 48 . 1 1 31 31 LYS H H 1 8.302 . . 1 . . . . . . . . 5076 1 49 . 1 1 31 31 LYS N N 15 123.152 . . 1 . . . . . . . . 5076 1 50 . 1 1 32 32 GLU H H 1 8.36 . . 1 . . . . . . . . 5076 1 51 . 1 1 32 32 GLU N N 15 121.25 . . 1 . . . . . . . . 5076 1 52 . 1 1 33 33 ASP H H 1 8.36 . . 1 . . . . . . . . 5076 1 53 . 1 1 33 33 ASP HA H 1 4.58 . . 1 . . . . . . . . 5076 1 54 . 1 1 33 33 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 5076 1 55 . 1 1 33 33 ASP CA C 13 54.43 . . 1 . . . . . . . . 5076 1 56 . 1 1 33 33 ASP CB C 13 41.21 . . 1 . . . . . . . . 5076 1 57 . 1 1 34 34 VAL H H 1 7.900 . . 1 . . . . . . . . 5076 1 58 . 1 1 34 34 VAL N N 15 119.185 . . 1 . . . . . . . . 5076 1 59 . 1 1 35 35 PHE H H 1 8.21 . . 1 . . . . . . . . 5076 1 60 . 1 1 35 35 PHE HA H 1 4.74 . . 1 . . . . . . . . 5076 1 61 . 1 1 35 35 PHE HB2 H 1 2.82 . . 2 . . . . . . . . 5076 1 62 . 1 1 35 35 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 5076 1 63 . 1 1 35 35 PHE CA C 13 57.86 . . 1 . . . . . . . . 5076 1 64 . 1 1 35 35 PHE CB C 13 39.50 . . 1 . . . . . . . . 5076 1 65 . 1 1 35 35 PHE N N 15 122.48 . . 1 . . . . . . . . 5076 1 66 . 1 1 36 36 VAL H H 1 7.89 . . 1 . . . . . . . . 5076 1 67 . 1 1 36 36 VAL HA H 1 3.99 . . 1 . . . . . . . . 5076 1 68 . 1 1 36 36 VAL N N 15 121.32 . . 1 . . . . . . . . 5076 1 69 . 1 1 40 40 ALA H H 1 8.156 . . 1 . . . . . . . . 5076 1 70 . 1 1 40 40 ALA HA H 1 3.81 . . 1 . . . . . . . . 5076 1 71 . 1 1 40 40 ALA CA C 13 56.64 . . 1 . . . . . . . . 5076 1 72 . 1 1 40 40 ALA CB C 13 19.32 . . 1 . . . . . . . . 5076 1 73 . 1 1 40 40 ALA N N 15 114.747 . . 1 . . . . . . . . 5076 1 74 . 1 1 41 41 ILE H H 1 7.962 . . 1 . . . . . . . . 5076 1 75 . 1 1 41 41 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 5076 1 76 . 1 1 41 41 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 5076 1 77 . 1 1 41 41 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 5076 1 78 . 1 1 41 41 ILE CA C 13 61.76 . . 1 . . . . . . . . 5076 1 79 . 1 1 41 41 ILE CB C 13 37.40 . . 1 . . . . . . . . 5076 1 80 . 1 1 41 41 ILE N N 15 119.673 . . 1 . . . . . . . . 5076 1 81 . 1 1 42 42 LYS H H 1 8.801 . . 1 . . . . . . . . 5076 1 82 . 1 1 42 42 LYS N N 15 129.775 . . 1 . . . . . . . . 5076 1 83 . 1 1 50 50 LEU H H 1 8.11 . . 1 . . . . . . . . 5076 1 84 . 1 1 54 54 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 5076 1 85 . 1 1 54 54 GLY HA2 H 1 4.26 . . 2 . . . . . . . . 5076 1 86 . 1 1 54 54 GLY CA C 13 44.40 . . 1 . . . . . . . . 5076 1 87 . 1 1 55 55 ASP H H 1 8.361 . . 1 . . . . . . . . 5076 1 88 . 1 1 55 55 ASP HA H 1 4.03 . . 1 . . . . . . . . 5076 1 89 . 1 1 55 55 ASP CA C 13 54.64 . . 1 . . . . . . . . 5076 1 90 . 1 1 55 55 ASP CB C 13 41.20 . . 1 . . . . . . . . 5076 1 91 . 1 1 55 55 ASP N N 15 120.104 . . 1 . . . . . . . . 5076 1 92 . 1 1 56 56 GLY H H 1 8.357 . . 1 . . . . . . . . 5076 1 93 . 1 1 56 56 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 5076 1 94 . 1 1 56 56 GLY HA2 H 1 4.14 . . 2 . . . . . . . . 5076 1 95 . 1 1 56 56 GLY CA C 13 45.58 . . 1 . . . . . . . . 5076 1 96 . 1 1 56 56 GLY N N 15 109.079 . . 1 . . . . . . . . 5076 1 97 . 1 1 57 57 GLU H H 1 8.187 . . 1 . . . . . . . . 5076 1 98 . 1 1 57 57 GLU CA C 13 56.47 . . 1 . . . . . . . . 5076 1 99 . 1 1 57 57 GLU CB C 13 30.73 . . 1 . . . . . . . . 5076 1 100 . 1 1 57 57 GLU CG C 13 36.43 . . 1 . . . . . . . . 5076 1 101 . 1 1 57 57 GLU N N 15 120.313 . . 1 . . . . . . . . 5076 1 102 . 1 1 58 58 THR H H 1 8.330 . . 1 . . . . . . . . 5076 1 103 . 1 1 58 58 THR HG21 H 1 1.24 . . 1 . . . . . . . . 5076 1 104 . 1 1 58 58 THR HG22 H 1 1.24 . . 1 . . . . . . . . 5076 1 105 . 1 1 58 58 THR HG23 H 1 1.24 . . 1 . . . . . . . . 5076 1 106 . 1 1 58 58 THR N N 15 115.682 . . 1 . . . . . . . . 5076 1 107 . 1 1 59 59 VAL H H 1 8.22 . . 1 . . . . . . . . 5076 1 108 . 1 1 60 60 GLU H H 1 8.331 . . 1 . . . . . . . . 5076 1 109 . 1 1 60 60 GLU HA H 1 4.38 . . 1 . . . . . . . . 5076 1 110 . 1 1 60 60 GLU CA C 13 45.46 . . 1 . . . . . . . . 5076 1 111 . 1 1 60 60 GLU N N 15 124.084 . . 1 . . . . . . . . 5076 1 112 . 1 1 61 61 PHE H H 1 8.229 . . 1 . . . . . . . . 5076 1 113 . 1 1 61 61 PHE N N 15 120.686 . . 1 . . . . . . . . 5076 1 114 . 1 1 62 62 ASP HA H 1 4.21 . . 1 . . . . . . . . 5076 1 115 . 1 1 62 62 ASP CA C 13 54.10 . . 1 . . . . . . . . 5076 1 116 . 1 1 63 63 VAL H H 1 8.082 . . 1 . . . . . . . . 5076 1 117 . 1 1 63 63 VAL CA C 13 62.29 . . 1 . . . . . . . . 5076 1 118 . 1 1 63 63 VAL N N 15 120.334 . . 1 . . . . . . . . 5076 1 119 . 1 1 64 64 VAL H H 1 8.223 . . 1 . . . . . . . . 5076 1 120 . 1 1 64 64 VAL HA H 1 4.12 . . 1 . . . . . . . . 5076 1 121 . 1 1 64 64 VAL HB H 1 2.03 . . 1 . . . . . . . . 5076 1 122 . 1 1 64 64 VAL HG21 H 1 0.89 . . 2 . . . . . . . . 5076 1 123 . 1 1 64 64 VAL HG22 H 1 0.89 . . 2 . . . . . . . . 5076 1 124 . 1 1 64 64 VAL HG23 H 1 0.89 . . 2 . . . . . . . . 5076 1 125 . 1 1 64 64 VAL CA C 13 62.23 . . 1 . . . . . . . . 5076 1 126 . 1 1 64 64 VAL N N 15 124.095 . . 1 . . . . . . . . 5076 1 127 . 1 1 65 65 GLU H H 1 8.462 . . 1 . . . . . . . . 5076 1 128 . 1 1 65 65 GLU HA H 1 4.26 . . 1 . . . . . . . . 5076 1 129 . 1 1 65 65 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 5076 1 130 . 1 1 65 65 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 5076 1 131 . 1 1 65 65 GLU CA C 13 56.87 . . 1 . . . . . . . . 5076 1 132 . 1 1 65 65 GLU CB C 13 30.66 . . 1 . . . . . . . . 5076 1 133 . 1 1 65 65 GLU N N 15 124.817 . . 1 . . . . . . . . 5076 1 134 . 1 1 66 66 GLY H H 1 8.357 . . 1 . . . . . . . . 5076 1 135 . 1 1 66 66 GLY CA C 13 45.56 . . 1 . . . . . . . . 5076 1 136 . 1 1 66 66 GLY N N 15 109.922 . . 1 . . . . . . . . 5076 1 137 . 1 1 67 67 GLU H H 1 8.27 . . 1 . . . . . . . . 5076 1 138 . 1 1 67 67 GLU CA C 13 56.67 . . 1 . . . . . . . . 5076 1 139 . 1 1 67 67 GLU CB C 13 30.44 . . 1 . . . . . . . . 5076 1 140 . 1 1 67 67 GLU CG C 13 36.43 . . 1 . . . . . . . . 5076 1 141 . 1 1 68 68 LYS HA H 1 4.34 . . 1 . . . . . . . . 5076 1 142 . 1 1 68 68 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 5076 1 143 . 1 1 68 68 LYS CA C 13 56.70 . . 1 . . . . . . . . 5076 1 144 . 1 1 68 68 LYS CB C 13 33.00 . . 1 . . . . . . . . 5076 1 145 . 1 1 68 68 LYS CG C 13 25.28 . . 1 . . . . . . . . 5076 1 146 . 1 1 69 69 GLY H H 1 8.436 . . 1 . . . . . . . . 5076 1 147 . 1 1 69 69 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 5076 1 148 . 1 1 69 69 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 5076 1 149 . 1 1 69 69 GLY CA C 13 45.39 . . 1 . . . . . . . . 5076 1 150 . 1 1 69 69 GLY N N 15 110.096 . . 1 . . . . . . . . 5076 1 151 . 1 1 70 70 ALA H H 1 8.167 . . 1 . . . . . . . . 5076 1 152 . 1 1 70 70 ALA HA H 1 4.30 . . 1 . . . . . . . . 5076 1 153 . 1 1 70 70 ALA CA C 13 52.74 . . 1 . . . . . . . . 5076 1 154 . 1 1 70 70 ALA CB C 13 19.36 . . 1 . . . . . . . . 5076 1 155 . 1 1 70 70 ALA N N 15 123.755 . . 1 . . . . . . . . 5076 1 156 . 1 1 71 71 GLU H H 1 8.46 . . 1 . . . . . . . . 5076 1 157 . 1 1 71 71 GLU HA H 1 4.24 . . 1 . . . . . . . . 5076 1 158 . 1 1 71 71 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 5076 1 159 . 1 1 71 71 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 5076 1 160 . 1 1 71 71 GLU CA C 13 56.87 . . 1 . . . . . . . . 5076 1 161 . 1 1 71 71 GLU CB C 13 30.21 . . 1 . . . . . . . . 5076 1 162 . 1 1 71 71 GLU CG C 13 36.39 . . 1 . . . . . . . . 5076 1 163 . 1 1 71 71 GLU N N 15 119.68 . . 1 . . . . . . . . 5076 1 164 . 1 1 72 72 ALA H H 1 8.197 . . 1 . . . . . . . . 5076 1 165 . 1 1 72 72 ALA HA H 1 4.29 . . 1 . . . . . . . . 5076 1 166 . 1 1 72 72 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 5076 1 167 . 1 1 72 72 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 5076 1 168 . 1 1 72 72 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 5076 1 169 . 1 1 72 72 ALA CA C 13 52.56 . . 1 . . . . . . . . 5076 1 170 . 1 1 72 72 ALA CB C 13 19.34 . . 1 . . . . . . . . 5076 1 171 . 1 1 72 72 ALA N N 15 124.674 . . 1 . . . . . . . . 5076 1 172 . 1 1 73 73 ALA H H 1 8.148 . . 1 . . . . . . . . 5076 1 173 . 1 1 73 73 ALA CA C 13 52.59 . . 1 . . . . . . . . 5076 1 174 . 1 1 73 73 ALA CB C 13 19.39 . . 1 . . . . . . . . 5076 1 175 . 1 1 73 73 ALA N N 15 122.547 . . 1 . . . . . . . . 5076 1 176 . 1 1 74 74 ASN H H 1 9.291 . . 1 . . . . . . . . 5076 1 177 . 1 1 74 74 ASN N N 15 118.058 . . 1 . . . . . . . . 5076 1 178 . 1 1 75 75 VAL H H 1 9.55 . . 1 . . . . . . . . 5076 1 179 . 1 1 75 75 VAL HA H 1 4.26 . . 1 . . . . . . . . 5076 1 180 . 1 1 75 75 VAL CA C 13 65.52 . . 1 . . . . . . . . 5076 1 181 . 1 1 75 75 VAL CB C 13 32.76 . . 1 . . . . . . . . 5076 1 182 . 1 1 75 75 VAL N N 15 117.135 . . 1 . . . . . . . . 5076 1 183 . 1 1 76 76 THR H H 1 8.22 . . 1 . . . . . . . . 5076 1 184 . 1 1 76 76 THR HA H 1 4.41 . . 1 . . . . . . . . 5076 1 185 . 1 1 76 76 THR CA C 13 61.80 . . 1 . . . . . . . . 5076 1 186 . 1 1 76 76 THR CB C 13 70.03 . . 1 . . . . . . . . 5076 1 187 . 1 1 77 77 GLY CA C 13 44.71 . . 1 . . . . . . . . 5076 1 188 . 1 1 78 78 PRO HA H 1 4.46 . . 1 . . . . . . . . 5076 1 189 . 1 1 78 78 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 5076 1 190 . 1 1 78 78 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 5076 1 191 . 1 1 78 78 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 5076 1 192 . 1 1 78 78 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 5076 1 193 . 1 1 78 78 PRO CA C 13 63.45 . . 1 . . . . . . . . 5076 1 194 . 1 1 78 78 PRO CB C 13 32.35 . . 1 . . . . . . . . 5076 1 195 . 1 1 78 78 PRO CG C 13 27.33 . . 1 . . . . . . . . 5076 1 196 . 1 1 79 79 GLY H H 1 8.015 . . 1 . . . . . . . . 5076 1 197 . 1 1 79 79 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 5076 1 198 . 1 1 79 79 GLY CA C 13 46.36 . . 1 . . . . . . . . 5076 1 199 . 1 1 79 79 GLY N N 15 115.347 . . 1 . . . . . . . . 5076 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'Minor unfolded state of cold shock domain of human YB-1 protein.' _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 $sample1 . 5076 2 . . 2 $sample2 . 5076 2 . . 3 $sample3 . 5076 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 GLY H H 1 8.32 . . 1 . . . . . . . . 5076 2 2 . 1 1 11 11 GLY N N 15 109.48 . . 1 . . . . . . . . 5076 2 3 . 1 1 42 42 LYS H H 1 8.826 . . 1 . . . . . . . . 5076 2 4 . 1 1 42 42 LYS HA H 1 4.28 . . 1 . . . . . . . . 5076 2 5 . 1 1 42 42 LYS CB C 13 32.93 . . 1 . . . . . . . . 5076 2 6 . 1 1 42 42 LYS N N 15 129.264 . . 1 . . . . . . . . 5076 2 7 . 1 1 71 71 GLU H H 1 8.359 . . 1 . . . . . . . . 5076 2 8 . 1 1 71 71 GLU N N 15 121.627 . . 1 . . . . . . . . 5076 2 9 . 1 1 74 74 ASN H H 1 8.333 . . 1 . . . . . . . . 5076 2 10 . 1 1 74 74 ASN N N 15 117.824 . . 1 . . . . . . . . 5076 2 11 . 1 1 78 78 PRO HA H 1 4.64 . . 1 . . . . . . . . 5076 2 12 . 1 1 78 78 PRO CA C 13 63.10 . . 1 . . . . . . . . 5076 2 13 . 1 1 78 78 PRO CB C 13 34.56 . . 1 . . . . . . . . 5076 2 14 . 1 1 79 79 GLY H H 1 8.240 . . 1 . . . . . . . . 5076 2 15 . 1 1 79 79 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 5076 2 16 . 1 1 79 79 GLY CA C 13 46.41 . . 1 . . . . . . . . 5076 2 17 . 1 1 79 79 GLY N N 15 116.715 . . 1 . . . . . . . . 5076 2 stop_ save_ save_assigned_chemical_shifts_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'Additional minor unfolded state of cold shock domain of human YB-1 protein.' _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 $sample1 . 5076 3 . . 2 $sample2 . 5076 3 . . 3 $sample3 . 5076 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 78 78 PRO HA H 1 4.77 . . 1 . . . . . . . . 5076 3 2 . 1 1 78 78 PRO CA C 13 62.50 . . 1 . . . . . . . . 5076 3 3 . 1 1 78 78 PRO CB C 13 34.90 . . 1 . . . . . . . . 5076 3 4 . 1 1 79 79 GLY H H 1 8.410 . . 1 . . . . . . . . 5076 3 5 . 1 1 79 79 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 5076 3 6 . 1 1 79 79 GLY CA C 13 46.41 . . 1 . . . . . . . . 5076 3 7 . 1 1 79 79 GLY N N 15 116.806 . . 1 . . . . . . . . 5076 3 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_3jhnha_major_unfolded_state _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_3jhnha_major_unfolded_state _Coupling_constant_list.Entry_ID 5076 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details 'The theoretical correction factor is 5%.' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample1 . 5076 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 19 19 ARG HA . . . . 1 1 19 19 ARG H . . . 7.8 . . . . . . . . . . . . . . 5076 1 2 3JHNHA . 1 1 34 34 VAL HA . . . . 1 1 34 34 VAL H . . . 7.2 . . . . . . . . . . . . . . 5076 1 3 3JHNHA . 1 1 41 41 ILE HA . . . . 1 1 41 41 ILE H . . . 7.5 . . . . . . . . . . . . . . 5076 1 4 3JHNHA . 1 1 42 42 LYS HA . . . . 1 1 42 42 LYS H . . . 7.1 . . . . . . . . . . . . . . 5076 1 5 3JHNHA . 1 1 57 57 GLU HA . . . . 1 1 57 57 GLU H . . . 6.2 . . . . . . . . . . . . . . 5076 1 6 3JHNHA . 1 1 60 60 GLU HA . . . . 1 1 60 60 GLU H . . . 6.8 . . . . . . . . . . . . . . 5076 1 7 3JHNHA . 1 1 61 61 PHE HA . . . . 1 1 61 61 PHE H . . . 6.7 . . . . . . . . . . . . . . 5076 1 8 3JHNHA . 1 1 63 63 VAL HA . . . . 1 1 63 63 VAL H . . . 7.6 . . . . . . . . . . . . . . 5076 1 9 3JHNHA . 1 1 65 65 GLU HA . . . . 1 1 65 65 GLU H . . . 6.2 . . . . . . . . . . . . . . 5076 1 10 3JHNHA . 1 1 66 66 GLY HA . . . . 1 1 66 66 GLY H . . . 8.3 . . . . . . . . . . . . . . 5076 1 11 3JHNHA . 1 1 69 69 GLY HA . . . . 1 1 69 69 GLY H . . . 10.8 . . . . . . . . . . . . . . 5076 1 12 3JHNHA . 1 1 71 71 GLU HA . . . . 1 1 71 71 GLU H . . . 6.8 . . . . . . . . . . . . . . 5076 1 13 3JHNHA . 1 1 72 72 ALA HA . . . . 1 1 72 72 ALA H . . . 5.9 . . . . . . . . . . . . . . 5076 1 14 3JHNHA . 1 1 79 79 GLY HA . . . . 1 1 79 79 GLY H . . . 7.3 . . . . . . . . . . . . . . 5076 1 stop_ save_ save_coupling_constants_3jhnha_minor_unfolded_state _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_3jhnha_minor_unfolded_state _Coupling_constant_list.Entry_ID 5076 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details 'The theoretical correction factor is 5%.' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample1 . 5076 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 42 42 LYS HA . . . . 1 1 42 42 LYS H . . . 9.8 . . . . . . . . . . . . . . 5076 2 2 3JHNHA . 1 1 79 79 GLY HA . . . . 1 1 79 79 GLY H . . . 7.3 . . . . . . . . . . . . . . 5076 2 stop_ save_ save_coupling_constants_3jhnha_extra_minor_unfolded_state _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_3jhnha_extra_minor_unfolded_state _Coupling_constant_list.Entry_ID 5076 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details 'The theoretical correction factor is 5%.' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample1 . 5076 3 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 79 79 GLY HA . . . . 1 1 79 79 GLY H . . . 7.4 . . . . . . . . . . . . . . 5076 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_major_unfolded_state _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_major_unfolded_state _Heteronucl_NOE_list.Entry_ID 5076 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample1 . 5076 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $nLinLS . . 5076 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 3 3 LYS . . . . . . 3 3 LYS . . . 0.0889 0.03 . . . . . . . . . . 5076 1 2 . . . 5 5 ILE . . . . . . 5 5 ILE . . . -0.4382 0.03 . . . . . . . . . . 5076 1 3 . . . 6 6 ALA . . . . . . 6 6 ALA . . . -0.1728 0.03 . . . . . . . . . . 5076 1 4 . . . 9 9 VAL . . . . . . 9 9 VAL . . . 0.2075 0.03 . . . . . . . . . . 5076 1 5 . . . 10 10 LEU . . . . . . 10 10 LEU . . . 0.0729 0.03 . . . . . . . . . . 5076 1 6 . . . 11 11 GLY . . . . . . 11 11 GLY . . . -0.1476 0.03 . . . . . . . . . . 5076 1 7 . . . 19 19 ARG . . . . . . 19 19 ARG . . . -0.0976 0.03 . . . . . . . . . . 5076 1 8 . . . 31 31 LYS . . . . . . 31 31 LYS . . . 0.0074 0.03 . . . . . . . . . . 5076 1 9 . . . 34 34 VAL . . . . . . 34 34 VAL . . . 0.1539 0.03 . . . . . . . . . . 5076 1 10 . . . 40 40 ALA . . . . . . 40 40 ALA . . . 0.3718 0.03 . . . . . . . . . . 5076 1 11 . . . 41 41 ILE . . . . . . 41 41 ILE . . . 0.0994 0.03 . . . . . . . . . . 5076 1 12 . . . 55 55 ASP . . . . . . 55 55 ASP . . . 0.5727 0.03 . . . . . . . . . . 5076 1 13 . . . 56 56 GLY . . . . . . 56 56 GLY . . . 0.1186 0.03 . . . . . . . . . . 5076 1 14 . . . 57 57 GLU . . . . . . 57 57 GLU . . . 0.3126 0.03 . . . . . . . . . . 5076 1 15 . . . 60 60 GLU . . . . . . 60 60 GLU . . . 0.0791 0.03 . . . . . . . . . . 5076 1 16 . . . 61 61 PHE . . . . . . 61 61 PHE . . . 0.1849 0.03 . . . . . . . . . . 5076 1 17 . . . 63 63 VAL . . . . . . 63 63 VAL . . . 0.2176 0.03 . . . . . . . . . . 5076 1 18 . . . 64 64 VAL . . . . . . 64 64 VAL . . . 0.1771 0.03 . . . . . . . . . . 5076 1 19 . . . 65 65 GLU . . . . . . 65 65 GLU . . . 0.1874 0.03 . . . . . . . . . . 5076 1 20 . . . 66 66 GLY . . . . . . 66 66 GLY . . . 0.0581 0.03 . . . . . . . . . . 5076 1 21 . . . 69 69 GLY . . . . . . 69 69 GLY . . . -0.3110 0.03 . . . . . . . . . . 5076 1 22 . . . 70 70 ALA . . . . . . 70 70 ALA . . . 0.1954 0.03 . . . . . . . . . . 5076 1 23 . . . 71 71 GLU . . . . . . 71 71 GLU . . . -0.0356 0.03 . . . . . . . . . . 5076 1 24 . . . 72 72 ALA . . . . . . 72 72 ALA . . . 0.2344 0.03 . . . . . . . . . . 5076 1 25 . . . 73 73 ALA . . . . . . 73 73 ALA . . . 0.0110 0.03 . . . . . . . . . . 5076 1 26 . . . 74 74 ASN . . . . . . 74 74 ASN . . . 0.5671 0.03 . . . . . . . . . . 5076 1 27 . . . 79 79 GLY . . . . . . 79 79 GLY . . . -0.8584 0.03 . . . . . . . . . . 5076 1 stop_ save_ save_heteronuclear_NOE_500_minor_unfolded_state _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_minor_unfolded_state _Heteronucl_NOE_list.Entry_ID 5076 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description 'not used' _Heteronucl_NOE_list.Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample1 . 5076 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $nLinLS . . 5076 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 79 79 GLY . . . . . . 79 79 GLY . . . -0.3184 0.03 . . . . . . . . . . 5076 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_relaxation_500_major_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_500_major_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 recorded at 11.7 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 LYS N . . 515.692 29.290 . . . . . 5076 1 2 . 1 1 5 5 ILE N . . 549.484 30.301 . . . . . 5076 1 3 . 1 1 6 6 ALA N . . 671.935 39.272 . . . . . 5076 1 4 . 1 1 9 9 VAL N . . 625.321 36.926 . . . . . 5076 1 5 . 1 1 10 10 LEU N . . 579.837 29.777 . . . . . 5076 1 6 . 1 1 11 11 GLY N . . 552.510 33.449 . . . . . 5076 1 7 . 1 1 19 19 ARG N . . 618.837 33.887 . . . . . 5076 1 8 . 1 1 31 31 LYS N . . 610.034 32.190 . . . . . 5076 1 9 . 1 1 34 34 VAL N . . 537.940 29.390 . . . . . 5076 1 10 . 1 1 41 41 ILE N . . 551.146 30.428 . . . . . 5076 1 11 . 1 1 42 42 LYS N . . 475.862 22.304 . . . . . 5076 1 12 . 1 1 55 55 ASP N . . 485.224 25.895 . . . . . 5076 1 13 . 1 1 56 56 GLY N . . 611.209 33.588 . . . . . 5076 1 14 . 1 1 57 57 GLU N . . 496.520 26.054 . . . . . 5076 1 15 . 1 1 58 58 THR N . . 559.519 31.551 . . . . . 5076 1 16 . 1 1 60 60 GLU N . . 534.538 27.019 . . . . . 5076 1 17 . 1 1 61 61 PHE N . . 533.758 28.413 . . . . . 5076 1 18 . 1 1 63 63 VAL N . . 518.215 28.526 . . . . . 5076 1 19 . 1 1 64 64 VAL N . . 518.793 27.059 . . . . . 5076 1 20 . 1 1 65 65 GLU N . . 537.918 29.306 . . . . . 5076 1 21 . 1 1 66 66 GLY N . . 591.199 33.361 . . . . . 5076 1 22 . 1 1 69 69 GLY N . . 704.190 37.321 . . . . . 5076 1 23 . 1 1 70 70 ALA N . . 531.213 27.478 . . . . . 5076 1 24 . 1 1 71 71 GLU N . . 585.299 31.872 . . . . . 5076 1 25 . 1 1 72 72 ALA N . . 595.050 32.676 . . . . . 5076 1 26 . 1 1 73 73 ALA N . . 603.182 33.395 . . . . . 5076 1 27 . 1 1 74 74 ASN N . . 495.442 30.043 . . . . . 5076 1 28 . 1 1 79 79 GLY N . . 1008.162 53.793 . . . . . 5076 1 stop_ save_ save_T1_relaxation_750_major_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_750_major_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 at 17.6 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 LYS N . . 612.026 34.836 . . . . . 5076 2 2 . 1 1 5 5 ILE N . . 610.294 33.539 . . . . . 5076 2 3 . 1 1 6 6 ALA N . . 661.145 38.511 . . . . . 5076 2 4 . 1 1 9 9 VAL N . . 580.784 31.985 . . . . . 5076 2 5 . 1 1 10 10 LEU N . . 583.648 32.041 . . . . . 5076 2 6 . 1 1 11 11 GLY N . . 528.682 26.944 . . . . . 5076 2 7 . 1 1 19 19 ARG N . . 578.780 32.895 . . . . . 5076 2 8 . 1 1 31 31 LYS N . . 629.362 35.081 . . . . . 5076 2 9 . 1 1 34 34 VAL N . . 578.524 32.445 . . . . . 5076 2 10 . 1 1 40 40 ALA N . . 489.146 27.260 . . . . . 5076 2 11 . 1 1 41 41 ILE N . . 578.455 32.653 . . . . . 5076 2 12 . 1 1 42 42 LYS N . . 542.073 33.861 . . . . . 5076 2 13 . 1 1 55 55 ASP N . . 604.203 33.311 . . . . . 5076 2 14 . 1 1 56 56 GLY N . . 620.521 35.971 . . . . . 5076 2 15 . 1 1 57 57 GLU N . . 560.857 30.887 . . . . . 5076 2 16 . 1 1 58 58 THR N . . 579.333 32.378 . . . . . 5076 2 17 . 1 1 60 60 GLU N . . 593.187 33.309 . . . . . 5076 2 18 . 1 1 61 61 PHE N . . 601.452 32.585 . . . . . 5076 2 19 . 1 1 63 63 VAL N . . 610.360 34.635 . . . . . 5076 2 20 . 1 1 64 64 VAL N . . 571.168 32.116 . . . . . 5076 2 21 . 1 1 65 65 GLU N . . 603.392 33.682 . . . . . 5076 2 22 . 1 1 66 66 GLY N . . 630.871 35.289 . . . . . 5076 2 23 . 1 1 69 69 GLY N . . 580.940 32.940 . . . . . 5076 2 24 . 1 1 70 70 ALA N . . 562.111 31.844 . . . . . 5076 2 25 . 1 1 71 71 GLU N . . 617.461 35.775 . . . . . 5076 2 26 . 1 1 72 72 ALA N . . 630.278 35.551 . . . . . 5076 2 27 . 1 1 73 73 ALA N . . 634.022 36.680 . . . . . 5076 2 28 . 1 1 74 74 ASN N . . 671.207 38.871 . . . . . 5076 2 29 . 1 1 79 79 GLY N . . 1013.494 55.517 . . . . . 5076 2 stop_ save_ save_T1_relaxation_500_minor_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_500_minor_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 recorded at 11.7 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 3 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 42 42 LYS N . . 455.534 27.094 . . . . . 5076 3 2 . 1 1 79 79 GLY N . . 803.418 37.428 . . . . . 5076 3 stop_ save_ save_T1_relaxation_500_extra_minor_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_500_extra_minor_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 recorded at 11.7 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 4 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 79 79 GLY N . . 533.242 31.262 . . . . . 5076 4 stop_ save_ save_T1_relaxation_750_minor_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_750_minor_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 at 17.6 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 5 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 42 42 LYS N . . 518.547 28.451 . . . . . 5076 5 2 . 1 1 79 79 GLY N . . 1027.701 57.872 . . . . . 5076 5 stop_ save_ save_T1_relaxation_750_extra_minor_unfolded_state _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_750_extra_minor_unfolded_state _Heteronucl_T1_list.Entry_ID 5076 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; T1 at 17.6 Tesla ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample1 . 5076 6 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $nLinLS . . 5076 6 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 79 79 GLY N . . 720.900 34.486 . . . . . 5076 6 stop_ save_