data_15891 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15891 _Entry.Title ; 1H, 15N chemical shifts of the UHM domain of Puf60 in complex with Prp16(201-238) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-25 _Entry.Accession_date 2008-07-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with Prp16(201-238)' _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 Lorenzo Corsini . . . 15891 2 Michael Sattler . . . 15891 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15891 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 97 15891 '1H chemical shifts' 97 15891 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 4 . . 2009-08-18 2008-07-25 update BMRB 'added PubMed ID' 15891 3 . . 2009-02-13 2008-07-25 update BMRB 'add author sequence numbers in entity' 15891 2 . . 2008-12-03 2008-07-25 update BMRB 'complete entry citation' 15891 1 . . 2008-10-15 2008-07-25 original author 'original release' 15891 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15885 'backbone assignment of the UHM domain of Puf60' 15891 BMRB 15887 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with U2AF65(85-112)' 15891 BMRB 15888 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF1(1-25)' 15891 BMRB 15889 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(194-229)' 15891 BMRB 15890 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(317-357)' 15891 PDB 2DNY 'NMR structure of the UHM domain of Puf60' 15891 PDB 3dxb 'crystal structure of the UHM domain of Puf60' 15891 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15891 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636907 _Citation.Full_citation . _Citation.Title 'Backbone assignment of the UHM domain of Puf60 free and bound to five ligands' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 211 _Citation.Page_last 214 _Citation.Year 2008 _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 Lorenzo Corsini . . . 15891 1 2 Michael Sattler . . . 15891 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alternative splicing' 15891 1 'FBP interacting repressor' 15891 1 RRM 15891 1 splicing 15891 1 UHM 15891 1 'UHM ligand motif, ULM' 15891 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15891 _Assembly.ID 1 _Assembly.Name 'minimal complex of Puf60 and Prp16(201-238)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17256.9 _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 'UHM domain of Puf60' 1 $UHM_domain_of_Puf60 A . yes native no no . 'UHM domain' . 15891 1 2 Prp16(201-238) 2 $Prp16(201-238) B . no native no no . 'peptide ligand' . 15891 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 15885 . . 'solution NMR' . 'Backbone assignment of the UHM domain of Puf60' . 15891 1 yes BMRB 15887 . . 'solution NMR' . '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with U2AF65(85-112)' . 15891 1 yes BMRB 15888 . . 'solution NMR' . '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF1(1-25)' . 15891 1 yes BMRB 15889 . . 'solution NMR' . '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(194-229)' . 15891 1 yes BMRB 15890 . . 'solution NMR' . '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(317-357)' . 15891 1 yes PDB 2DNY . . 'solution NMR' . 'NMR structure of the UHM domain of Puf60, for which the backbone assignment is reported here' . 15891 1 yes PDB 3dxb . . X-ray 2.2 'crystal structure of the UHM domain of PUF60, for which the backbone assignment is reported here' . 15891 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'alternative splicing' 15891 1 splicing 15891 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UHM_domain_of_Puf60 _Entity.Sf_category entity _Entity.Sf_framecode UHM_domain_of_Puf60 _Entity.Entry_ID 15891 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UHM_domain_of_Puf60 _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 ; MKHHHHHHPMESTVMVLRNM VDPKDIDDDLEGEVTEECGK FGAVNRVIIYQEKQGEEEDA EIIVKIFVEFSIASETHKAI QALNGRWFAGRKVVAEVYDQ ERFDNSDLSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'U2AF homology motif, UHM' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12637.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 yes UNP Q9UHX1 . Puf60 . . . . . . . . . . . . . . 15891 1 2 no BMRB 15885 . UHM_domain_of_Puf60 . . . . . 92.73 103 99.02 99.02 1.08e-65 . . . . 15891 1 3 no BMRB 15887 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15891 1 4 no BMRB 15888 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15891 1 5 no BMRB 15889 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15891 1 6 no BMRB 15890 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15891 1 7 no PDB 2DNY . "Solution Structure Of The Third Rna Binding Domain Of Fbp- Interacting Repressor, Siahbp1" . . . . . 90.91 119 100.00 100.00 4.10e-65 . . . . 15891 1 8 no PDB 3DXB . "Structure Of The Uhm Domain Of Puf60 Fused To Thioredoxin" . . . . . 91.82 222 100.00 100.00 8.95e-64 . . . . 15891 1 9 no DBJ BAE28998 . "unnamed protein product [Mus musculus]" . . . . . 90.91 564 98.00 99.00 5.29e-60 . . . . 15891 1 10 no DBJ BAE30474 . "unnamed protein product [Mus musculus]" . . . . . 90.91 547 98.00 99.00 1.02e-59 . . . . 15891 1 11 no DBJ BAE40622 . "unnamed protein product [Mus musculus]" . . . . . 90.91 547 98.00 99.00 1.02e-59 . . . . 15891 1 12 no DBJ BAF85062 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15891 1 13 no DBJ BAI46053 . "poly-U binding splicing factor 60KDa [synthetic construct]" . . . . . 90.91 499 100.00 100.00 8.21e-61 . . . . 15891 1 14 no EMBL CAG33424 . "SIAHBP1 [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15891 1 15 no EMBL CAH89379 . "hypothetical protein [Pongo abelii]" . . . . . 90.91 513 100.00 100.00 8.03e-61 . . . . 15891 1 16 no EMBL CAH93447 . "hypothetical protein [Pongo abelii]" . . . . . 90.91 558 100.00 100.00 5.08e-61 . . . . 15891 1 17 no GB AAB41656 . "siah binding protein 1 [Homo sapiens]" . . . . . 90.91 541 100.00 100.00 9.46e-61 . . . . 15891 1 18 no GB AAD44358 . "RNA-binding protein SiahBP [Rattus norvegicus]" . . . . . 90.91 565 98.00 99.00 7.75e-60 . . . . 15891 1 19 no GB AAF05605 . "poly-U binding splicing factor PUF60 [Homo sapiens]" . . . . . 90.91 556 100.00 100.00 5.99e-61 . . . . 15891 1 20 no GB AAF23589 . "Ro ribonucleoprotein-binding protein 1 [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15891 1 21 no GB AAF27522 . "FBP-interacting repressor [Homo sapiens]" . . . . . 90.91 542 100.00 100.00 9.64e-61 . . . . 15891 1 22 no REF NP_001039598 . "poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 90.91 530 98.00 99.00 8.79e-60 . . . . 15891 1 23 no REF NP_001127017 . "poly(U)-binding-splicing factor PUF60 [Pongo abelii]" . . . . . 90.91 558 100.00 100.00 5.08e-61 . . . . 15891 1 24 no REF NP_001128734 . "DKFZP468L0227 protein [Pongo abelii]" . . . . . 90.91 513 100.00 100.00 8.03e-61 . . . . 15891 1 25 no REF NP_001129505 . "poly(U)-binding-splicing factor PUF60 isoform c [Homo sapiens]" . . . . . 90.91 516 100.00 100.00 5.29e-61 . . . . 15891 1 26 no REF NP_001158072 . "poly(U)-binding-splicing factor PUF60 isoform c [Mus musculus]" . . . . . 90.91 499 98.00 99.00 8.94e-60 . . . . 15891 1 27 no SP Q2HJG2 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 90.91 530 98.00 99.00 8.79e-60 . . . . 15891 1 28 no SP Q3UEB3 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 90.91 564 98.00 99.00 5.63e-60 . . . . 15891 1 29 no SP Q5R469 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 90.91 558 100.00 100.00 5.08e-61 . . . . 15891 1 30 no SP Q9UHX1 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor; AltName: Full=FUSE-b" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15891 1 31 no SP Q9WV25 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor; AltName: Full=RNA-bi" . . . . . 90.91 564 98.00 99.00 5.63e-60 . . . . 15891 1 32 no TPG DAA22863 . "TPA: poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 90.91 530 99.00 100.00 9.55e-61 . . . . 15891 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'alternative splicing' 15891 1 splicing 15891 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 -6 MET . 15891 1 2 -5 LYS . 15891 1 3 -4 HIS . 15891 1 4 -3 HIS . 15891 1 5 -2 HIS . 15891 1 6 -1 HIS . 15891 1 7 0 HIS . 15891 1 8 1 HIS . 15891 1 9 2 PRO . 15891 1 10 3 MET . 15891 1 11 4 GLU . 15891 1 12 5 SER . 15891 1 13 6 THR . 15891 1 14 7 VAL . 15891 1 15 8 MET . 15891 1 16 9 VAL . 15891 1 17 10 LEU . 15891 1 18 11 ARG . 15891 1 19 12 ASN . 15891 1 20 13 MET . 15891 1 21 14 VAL . 15891 1 22 15 ASP . 15891 1 23 16 PRO . 15891 1 24 17 LYS . 15891 1 25 18 ASP . 15891 1 26 19 ILE . 15891 1 27 20 ASP . 15891 1 28 21 ASP . 15891 1 29 22 ASP . 15891 1 30 23 LEU . 15891 1 31 24 GLU . 15891 1 32 25 GLY . 15891 1 33 26 GLU . 15891 1 34 27 VAL . 15891 1 35 28 THR . 15891 1 36 29 GLU . 15891 1 37 30 GLU . 15891 1 38 31 CYS . 15891 1 39 32 GLY . 15891 1 40 33 LYS . 15891 1 41 34 PHE . 15891 1 42 35 GLY . 15891 1 43 36 ALA . 15891 1 44 37 VAL . 15891 1 45 38 ASN . 15891 1 46 39 ARG . 15891 1 47 40 VAL . 15891 1 48 41 ILE . 15891 1 49 42 ILE . 15891 1 50 43 TYR . 15891 1 51 44 GLN . 15891 1 52 45 GLU . 15891 1 53 46 LYS . 15891 1 54 47 GLN . 15891 1 55 48 GLY . 15891 1 56 49 GLU . 15891 1 57 50 GLU . 15891 1 58 51 GLU . 15891 1 59 52 ASP . 15891 1 60 53 ALA . 15891 1 61 54 GLU . 15891 1 62 55 ILE . 15891 1 63 56 ILE . 15891 1 64 57 VAL . 15891 1 65 58 LYS . 15891 1 66 59 ILE . 15891 1 67 60 PHE . 15891 1 68 61 VAL . 15891 1 69 62 GLU . 15891 1 70 63 PHE . 15891 1 71 64 SER . 15891 1 72 65 ILE . 15891 1 73 66 ALA . 15891 1 74 67 SER . 15891 1 75 68 GLU . 15891 1 76 69 THR . 15891 1 77 70 HIS . 15891 1 78 71 LYS . 15891 1 79 72 ALA . 15891 1 80 73 ILE . 15891 1 81 74 GLN . 15891 1 82 75 ALA . 15891 1 83 76 LEU . 15891 1 84 77 ASN . 15891 1 85 78 GLY . 15891 1 86 79 ARG . 15891 1 87 80 TRP . 15891 1 88 81 PHE . 15891 1 89 82 ALA . 15891 1 90 83 GLY . 15891 1 91 84 ARG . 15891 1 92 85 LYS . 15891 1 93 86 VAL . 15891 1 94 87 VAL . 15891 1 95 88 ALA . 15891 1 96 89 GLU . 15891 1 97 90 VAL . 15891 1 98 91 TYR . 15891 1 99 92 ASP . 15891 1 100 93 GLN . 15891 1 101 94 GLU . 15891 1 102 95 ARG . 15891 1 103 96 PHE . 15891 1 104 97 ASP . 15891 1 105 98 ASN . 15891 1 106 99 SER . 15891 1 107 100 ASP . 15891 1 108 101 LEU . 15891 1 109 102 SER . 15891 1 110 103 ALA . 15891 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 15891 1 . LYS 2 2 15891 1 . HIS 3 3 15891 1 . HIS 4 4 15891 1 . HIS 5 5 15891 1 . HIS 6 6 15891 1 . HIS 7 7 15891 1 . HIS 8 8 15891 1 . PRO 9 9 15891 1 . MET 10 10 15891 1 . GLU 11 11 15891 1 . SER 12 12 15891 1 . THR 13 13 15891 1 . VAL 14 14 15891 1 . MET 15 15 15891 1 . VAL 16 16 15891 1 . LEU 17 17 15891 1 . ARG 18 18 15891 1 . ASN 19 19 15891 1 . MET 20 20 15891 1 . VAL 21 21 15891 1 . ASP 22 22 15891 1 . PRO 23 23 15891 1 . LYS 24 24 15891 1 . ASP 25 25 15891 1 . ILE 26 26 15891 1 . ASP 27 27 15891 1 . ASP 28 28 15891 1 . ASP 29 29 15891 1 . LEU 30 30 15891 1 . GLU 31 31 15891 1 . GLY 32 32 15891 1 . GLU 33 33 15891 1 . VAL 34 34 15891 1 . THR 35 35 15891 1 . GLU 36 36 15891 1 . GLU 37 37 15891 1 . CYS 38 38 15891 1 . GLY 39 39 15891 1 . LYS 40 40 15891 1 . PHE 41 41 15891 1 . GLY 42 42 15891 1 . ALA 43 43 15891 1 . VAL 44 44 15891 1 . ASN 45 45 15891 1 . ARG 46 46 15891 1 . VAL 47 47 15891 1 . ILE 48 48 15891 1 . ILE 49 49 15891 1 . TYR 50 50 15891 1 . GLN 51 51 15891 1 . GLU 52 52 15891 1 . LYS 53 53 15891 1 . GLN 54 54 15891 1 . GLY 55 55 15891 1 . GLU 56 56 15891 1 . GLU 57 57 15891 1 . GLU 58 58 15891 1 . ASP 59 59 15891 1 . ALA 60 60 15891 1 . GLU 61 61 15891 1 . ILE 62 62 15891 1 . ILE 63 63 15891 1 . VAL 64 64 15891 1 . LYS 65 65 15891 1 . ILE 66 66 15891 1 . PHE 67 67 15891 1 . VAL 68 68 15891 1 . GLU 69 69 15891 1 . PHE 70 70 15891 1 . SER 71 71 15891 1 . ILE 72 72 15891 1 . ALA 73 73 15891 1 . SER 74 74 15891 1 . GLU 75 75 15891 1 . THR 76 76 15891 1 . HIS 77 77 15891 1 . LYS 78 78 15891 1 . ALA 79 79 15891 1 . ILE 80 80 15891 1 . GLN 81 81 15891 1 . ALA 82 82 15891 1 . LEU 83 83 15891 1 . ASN 84 84 15891 1 . GLY 85 85 15891 1 . ARG 86 86 15891 1 . TRP 87 87 15891 1 . PHE 88 88 15891 1 . ALA 89 89 15891 1 . GLY 90 90 15891 1 . ARG 91 91 15891 1 . LYS 92 92 15891 1 . VAL 93 93 15891 1 . VAL 94 94 15891 1 . ALA 95 95 15891 1 . GLU 96 96 15891 1 . VAL 97 97 15891 1 . TYR 98 98 15891 1 . ASP 99 99 15891 1 . GLN 100 100 15891 1 . GLU 101 101 15891 1 . ARG 102 102 15891 1 . PHE 103 103 15891 1 . ASP 104 104 15891 1 . ASN 105 105 15891 1 . SER 106 106 15891 1 . ASP 107 107 15891 1 . LEU 108 108 15891 1 . SER 109 109 15891 1 . ALA 110 110 15891 1 stop_ save_ save_Prp16(201-238) _Entity.Sf_category entity _Entity.Sf_framecode Prp16(201-238) _Entity.Entry_ID 15891 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Prp16(201-238) _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 ; GAMGRHRPKDAATPSRSTWE EEDSGYGSSRRSQWESPSPT PS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment Prp16(201-238) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4619.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 DBJ BAA13213 . "KIAA0224 [Homo sapiens]" . . . . . 90.48 1256 100.00 100.00 1.49e-15 . . . . 15891 2 2 no DBJ BAF84323 . "unnamed protein product [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 3 no DBJ BAG09667 . "pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [synthetic construct]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 4 no DBJ BAG57191 . "unnamed protein product [Homo sapiens]" . . . . . 90.48 1220 100.00 100.00 1.25e-15 . . . . 15891 2 5 no GB AAC27431 . "pre-mRNA splicing factor (PRP16)(KIAA0224) [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 6 no GB AAC39729 . "pre-mRNA splicing factor [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 7 no GB AAH04235 . "DEAH (Asp-Glu-Ala-His) box polypeptide 38 [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 8 no GB AAH08340 . "DEAH (Asp-Glu-Ala-His) box polypeptide 38 [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 9 no GB AAI18086 . "DEAH (Asp-Glu-Ala-His) box polypeptide 38 [Bos taurus]" . . . . . 90.48 1227 100.00 100.00 1.52e-15 . . . . 15891 2 10 no REF NP_001069266 . "pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Bos taurus]" . . . . . 90.48 1227 100.00 100.00 1.52e-15 . . . . 15891 2 11 no REF NP_001099655 . "pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Rattus norvegicus]" . . . . . 90.48 1210 97.37 100.00 2.62e-15 . . . . 15891 2 12 no REF NP_001244810 . "pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Macaca mulatta]" . . . . . 90.48 1227 100.00 100.00 1.33e-15 . . . . 15891 2 13 no REF NP_054722 . "pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Homo sapiens]" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 14 no REF XP_001500257 . "PREDICTED: pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Equus caballus]" . . . . . 90.48 1226 97.37 100.00 3.73e-15 . . . . 15891 2 15 no SP Q17R09 . "RecName: Full=Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16; AltName: Full=ATP-dependent RNA helicase DHX38; AltNam" . . . . . 90.48 1227 100.00 100.00 1.52e-15 . . . . 15891 2 16 no SP Q92620 . "RecName: Full=Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16; AltName: Full=ATP-dependent RNA helicase DHX38; AltNam" . . . . . 90.48 1227 100.00 100.00 1.26e-15 . . . . 15891 2 17 no TPG DAA20084 . "TPA: pre-mRNA-splicing factor ATP-dependent RNA helicase PRP16 [Bos taurus]" . . . . . 90.48 1155 100.00 100.00 1.31e-15 . . . . 15891 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA helicase' 15891 2 splicing 15891 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15891 2 2 . ALA . 15891 2 3 . MET . 15891 2 4 . GLY . 15891 2 5 . ARG . 15891 2 6 . HIS . 15891 2 7 . ARG . 15891 2 8 . PRO . 15891 2 9 . LYS . 15891 2 10 . ASP . 15891 2 11 . ALA . 15891 2 12 . ALA . 15891 2 13 . THR . 15891 2 14 . PRO . 15891 2 15 . SER . 15891 2 16 . ARG . 15891 2 17 . SER . 15891 2 18 . THR . 15891 2 19 . TRP . 15891 2 20 . GLU . 15891 2 21 . GLU . 15891 2 22 . GLU . 15891 2 23 . ASP . 15891 2 24 . SER . 15891 2 25 . GLY . 15891 2 26 . TYR . 15891 2 27 . GLY . 15891 2 28 . SER . 15891 2 29 . SER . 15891 2 30 . ARG . 15891 2 31 . ARG . 15891 2 32 . SER . 15891 2 33 . GLN . 15891 2 34 . TRP . 15891 2 35 . GLU . 15891 2 36 . SER . 15891 2 37 . PRO . 15891 2 38 . SER . 15891 2 39 . PRO . 15891 2 40 . THR . 15891 2 41 . PRO . 15891 2 42 . SER . 15891 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 . GLY 1 1 15891 2 . ALA 2 2 15891 2 . MET 3 3 15891 2 . GLY 4 4 15891 2 . ARG 5 5 15891 2 . HIS 6 6 15891 2 . ARG 7 7 15891 2 . PRO 8 8 15891 2 . LYS 9 9 15891 2 . ASP 10 10 15891 2 . ALA 11 11 15891 2 . ALA 12 12 15891 2 . THR 13 13 15891 2 . PRO 14 14 15891 2 . SER 15 15 15891 2 . ARG 16 16 15891 2 . SER 17 17 15891 2 . THR 18 18 15891 2 . TRP 19 19 15891 2 . GLU 20 20 15891 2 . GLU 21 21 15891 2 . GLU 22 22 15891 2 . ASP 23 23 15891 2 . SER 24 24 15891 2 . GLY 25 25 15891 2 . TYR 26 26 15891 2 . GLY 27 27 15891 2 . SER 28 28 15891 2 . SER 29 29 15891 2 . ARG 30 30 15891 2 . ARG 31 31 15891 2 . SER 32 32 15891 2 . GLN 33 33 15891 2 . TRP 34 34 15891 2 . GLU 35 35 15891 2 . SER 36 36 15891 2 . PRO 37 37 15891 2 . SER 38 38 15891 2 . PRO 39 39 15891 2 . THR 40 40 15891 2 . PRO 41 41 15891 2 . SER 42 42 15891 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15891 _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 $UHM_domain_of_Puf60 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15891 1 2 2 $Prp16(201-238) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15891 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 15891 _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 $UHM_domain_of_Puf60 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . . . . . . . . . . . pET9d . . . . . . 15891 1 2 2 $Prp16(201-238) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . . . . . . . . . . . pET9d . . . . . . 15891 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_minimal_complex_of_Puf60_and_Prp16(201-238) _Sample.Sf_category sample _Sample.Sf_framecode minimal_complex_of_Puf60_and_Prp16(201-238) _Sample.Entry_ID 15891 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'UHM domain of Puf60' '[U-100% 13C; U-100% 15N]' . . 1 $UHM_domain_of_Puf60 . . 0.129 . . mM 0.01 . . . 15891 1 2 Prp16(201-238) 'natural abundance' . . 2 $Prp16(201-238) . . 1.93 . . mM 0.01 . . . 15891 1 3 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 15891 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15891 1 5 b-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 15891 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15891 1 7 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15891 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 15891 _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 'ionic strength' 0.2 0.01 M 15891 1 pH 6.8 0.1 pH 15891 1 pressure 1 . atm 15891 1 temperature 295 0.1 K 15891 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15891 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Data collection' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15891 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15891 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15891 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15891 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15891 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15891 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15891 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15891 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15891 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15891 _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 spectrometer_1 Bruker DRX . 500 . . . 15891 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 15891 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $minimal_complex_of_Puf60_and_Prp16(201-238) isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15891 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15891 _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 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15891 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15891 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15891 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '1H and 15N chemical shift assignments were transferred from the free UHM domain of Puf60 by titration.' _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' . . . 15891 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 3 $NMRView . . 15891 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 11 11 GLU H H 1 8.302 0.0018 . 1 . . . . 4 GLU HN . 15891 1 2 . 1 1 11 11 GLU N N 15 121.835 0.013 . 1 . . . . 4 GLU N . 15891 1 3 . 1 1 12 12 SER H H 1 8.208 0.0018 . 1 . . . . 5 SER HN . 15891 1 4 . 1 1 12 12 SER N N 15 115.874 0.013 . 1 . . . . 5 SER N . 15891 1 5 . 1 1 13 13 THR H H 1 8.365 0.0018 . 1 . . . . 6 THR HN . 15891 1 6 . 1 1 13 13 THR N N 15 113.656 0.013 . 1 . . . . 6 THR N . 15891 1 7 . 1 1 14 14 VAL H H 1 8.882 0.0018 . 1 . . . . 7 VAL HN . 15891 1 8 . 1 1 14 14 VAL N N 15 126.029 0.013 . 1 . . . . 7 VAL N . 15891 1 9 . 1 1 15 15 MET H H 1 9.082 0.0018 . 1 . . . . 8 MET HN . 15891 1 10 . 1 1 15 15 MET N N 15 127.587 0.013 . 1 . . . . 8 MET N . 15891 1 11 . 1 1 16 16 VAL H H 1 9.330 0.0018 . 1 . . . . 9 VAL HN . 15891 1 12 . 1 1 16 16 VAL N N 15 124.305 0.013 . 1 . . . . 9 VAL N . 15891 1 13 . 1 1 17 17 LEU H H 1 9.078 0.0018 . 1 . . . . 10 LEU HN . 15891 1 14 . 1 1 17 17 LEU N N 15 126.343 0.013 . 1 . . . . 10 LEU N . 15891 1 15 . 1 1 18 18 ARG H H 1 9.554 0.0018 . 1 . . . . 11 ARG HN . 15891 1 16 . 1 1 18 18 ARG N N 15 124.095 0.013 . 1 . . . . 11 ARG N . 15891 1 17 . 1 1 19 19 ASN H H 1 8.816 0.0018 . 1 . . . . 12 ASN HN . 15891 1 18 . 1 1 19 19 ASN N N 15 116.993 0.013 . 1 . . . . 12 ASN N . 15891 1 19 . 1 1 20 20 MET H H 1 8.589 0.0018 . 1 . . . . 13 MET HN . 15891 1 20 . 1 1 20 20 MET N N 15 116.668 0.013 . 1 . . . . 13 MET N . 15891 1 21 . 1 1 21 21 VAL H H 1 6.690 0.0018 . 1 . . . . 14 VAL HN . 15891 1 22 . 1 1 21 21 VAL N N 15 136.667 0.013 . 1 . . . . 14 VAL N . 15891 1 23 . 1 1 22 22 ASP H H 1 8.880 0.0018 . 1 . . . . 15 ASP HN . 15891 1 24 . 1 1 22 22 ASP N N 15 125.234 0.013 . 1 . . . . 15 ASP N . 15891 1 25 . 1 1 24 24 LYS H H 1 8.641 0.0018 . 1 . . . . 17 LYS HN . 15891 1 26 . 1 1 24 24 LYS N N 15 115.754 0.013 . 1 . . . . 17 LYS N . 15891 1 27 . 1 1 25 25 ASP H H 1 8.016 0.0018 . 1 . . . . 18 ASP HN . 15891 1 28 . 1 1 25 25 ASP N N 15 118.407 0.013 . 1 . . . . 18 ASP N . 15891 1 29 . 1 1 26 26 ILE H H 1 7.171 0.0018 . 1 . . . . 19 ILE HN . 15891 1 30 . 1 1 26 26 ILE N N 15 119.797 0.013 . 1 . . . . 19 ILE N . 15891 1 31 . 1 1 27 27 ASP H H 1 7.404 0.0018 . 1 . . . . 20 ASP HN . 15891 1 32 . 1 1 27 27 ASP N N 15 126.808 0.013 . 1 . . . . 20 ASP N . 15891 1 33 . 1 1 28 28 ASP H H 1 8.473 0.0018 . 1 . . . . 21 ASP HN . 15891 1 34 . 1 1 28 28 ASP N N 15 117.939 0.013 . 1 . . . . 21 ASP N . 15891 1 35 . 1 1 29 29 ASP H H 1 8.298 0.0018 . 1 . . . . 22 ASP HN . 15891 1 36 . 1 1 29 29 ASP N N 15 118.988 0.013 . 1 . . . . 22 ASP N . 15891 1 37 . 1 1 30 30 LEU H H 1 7.441 0.0018 . 1 . . . . 23 LEU HN . 15891 1 38 . 1 1 30 30 LEU N N 15 123.316 0.013 . 1 . . . . 23 LEU N . 15891 1 39 . 1 1 31 31 GLU H H 1 8.983 0.0018 . 1 . . . . 24 GLU HN . 15891 1 40 . 1 1 31 31 GLU N N 15 118.808 0.013 . 1 . . . . 24 GLU N . 15891 1 41 . 1 1 32 32 GLY H H 1 8.667 0.0018 . 1 . . . . 25 GLY HN . 15891 1 42 . 1 1 32 32 GLY N N 15 110.509 0.013 . 1 . . . . 25 GLY N . 15891 1 43 . 1 1 33 33 GLU H H 1 8.121 0.0018 . 1 . . . . 26 GLU HN . 15891 1 44 . 1 1 33 33 GLU N N 15 124.175 0.013 . 1 . . . . 26 GLU N . 15891 1 45 . 1 1 34 34 VAL H H 1 8.557 0.0018 . 1 . . . . 27 VAL HN . 15891 1 46 . 1 1 34 34 VAL N N 15 120.007 0.013 . 1 . . . . 27 VAL N . 15891 1 47 . 1 1 35 35 THR H H 1 8.371 0.0018 . 1 . . . . 28 THR HN . 15891 1 48 . 1 1 35 35 THR N N 15 117.373 0.013 . 1 . . . . 28 THR N . 15891 1 49 . 1 1 36 36 GLU H H 1 8.221 0.0018 . 1 . . . . 29 GLU HN . 15891 1 50 . 1 1 36 36 GLU N N 15 122.571 0.013 . 1 . . . . 29 GLU N . 15891 1 51 . 1 1 37 37 GLU H H 1 7.788 0.0018 . 1 . . . . 30 GLU HN . 15891 1 52 . 1 1 37 37 GLU N N 15 119.033 0.013 . 1 . . . . 30 GLU N . 15891 1 53 . 1 1 38 38 CYS H H 1 8.441 0.0018 . 1 . . . . 31 CYS HN . 15891 1 54 . 1 1 38 38 CYS N N 15 113.386 0.013 . 1 . . . . 31 CYS N . 15891 1 55 . 1 1 39 39 GLY H H 1 8.112 0.0018 . 1 . . . . 32 GLY HN . 15891 1 56 . 1 1 39 39 GLY N N 15 107.754 0.013 . 1 . . . . 32 GLY N . 15891 1 57 . 1 1 40 40 LYS H H 1 7.018 0.0018 . 1 . . . . 33 LYS HN . 15891 1 58 . 1 1 40 40 LYS N N 15 117.864 0.013 . 1 . . . . 33 LYS N . 15891 1 59 . 1 1 41 41 PHE H H 1 7.719 0.0018 . 1 . . . . 34 PHE HN . 15891 1 60 . 1 1 41 41 PHE N N 15 116.488 0.013 . 1 . . . . 34 PHE N . 15891 1 61 . 1 1 42 42 GLY H H 1 7.361 0.0018 . 1 . . . . 35 GLY HN . 15891 1 62 . 1 1 42 42 GLY N N 15 104.272 0.013 . 1 . . . . 35 GLY N . 15891 1 63 . 1 1 43 43 ALA H H 1 8.205 0.0018 . 1 . . . . 36 ALA HN . 15891 1 64 . 1 1 43 43 ALA N N 15 122.223 0.013 . 1 . . . . 36 ALA N . 15891 1 65 . 1 1 44 44 VAL H H 1 8.359 0.0018 . 1 . . . . 37 VAL HN . 15891 1 66 . 1 1 44 44 VAL N N 15 124.844 0.013 . 1 . . . . 37 VAL N . 15891 1 67 . 1 1 45 45 ASN H H 1 9.368 0.0018 . 1 . . . . 38 ASN HN . 15891 1 68 . 1 1 45 45 ASN N N 15 128.232 0.013 . 1 . . . . 38 ASN N . 15891 1 69 . 1 1 46 46 ARG H H 1 7.375 0.0018 . 1 . . . . 39 ARG HN . 15891 1 70 . 1 1 46 46 ARG N N 15 115.035 0.013 . 1 . . . . 39 ARG N . 15891 1 71 . 1 1 47 47 VAL H H 1 8.350 0.0018 . 1 . . . . 40 VAL HN . 15891 1 72 . 1 1 47 47 VAL N N 15 122.450 0.013 . 1 . . . . 40 VAL N . 15891 1 73 . 1 1 48 48 ILE H H 1 9.238 0.0018 . 1 . . . . 41 ILE HN . 15891 1 74 . 1 1 48 48 ILE N N 15 125.729 0.013 . 1 . . . . 41 ILE N . 15891 1 75 . 1 1 49 49 ILE H H 1 9.087 0.0018 . 1 . . . . 42 ILE HN . 15891 1 76 . 1 1 49 49 ILE N N 15 128.927 0.013 . 1 . . . . 42 ILE N . 15891 1 77 . 1 1 50 50 TYR H H 1 9.254 0.0018 . 1 . . . . 43 TYR HN . 15891 1 78 . 1 1 50 50 TYR N N 15 131.671 0.013 . 1 . . . . 43 TYR N . 15891 1 79 . 1 1 51 51 GLN H H 1 8.079 0.0018 . 1 . . . . 44 GLN HN . 15891 1 80 . 1 1 51 51 GLN N N 15 126.279 0.013 . 1 . . . . 44 GLN N . 15891 1 81 . 1 1 52 52 GLU H H 1 8.683 0.0018 . 1 . . . . 45 GLU HN . 15891 1 82 . 1 1 52 52 GLU N N 15 123.061 0.013 . 1 . . . . 45 GLU N . 15891 1 83 . 1 1 53 53 LYS H H 1 8.878 0.0018 . 1 . . . . 46 LYS HN . 15891 1 84 . 1 1 53 53 LYS N N 15 130.376 0.013 . 1 . . . . 46 LYS N . 15891 1 85 . 1 1 54 54 GLN H H 1 9.054 0.0018 . 1 . . . . 47 GLN HN . 15891 1 86 . 1 1 54 54 GLN N N 15 124.065 0.013 . 1 . . . . 47 GLN N . 15891 1 87 . 1 1 55 55 GLY H H 1 7.646 0.0018 . 1 . . . . 48 GLY HN . 15891 1 88 . 1 1 55 55 GLY N N 15 108.786 0.013 . 1 . . . . 48 GLY N . 15891 1 89 . 1 1 56 56 GLU H H 1 8.447 0.0018 . 1 . . . . 49 GLU HN . 15891 1 90 . 1 1 56 56 GLU N N 15 116.908 0.013 . 1 . . . . 49 GLU N . 15891 1 91 . 1 1 57 57 GLU H H 1 8.745 0.0018 . 1 . . . . 50 GLU HN . 15891 1 92 . 1 1 57 57 GLU N N 15 120.262 0.013 . 1 . . . . 50 GLU N . 15891 1 93 . 1 1 58 58 GLU H H 1 8.926 0.0018 . 1 . . . . 51 GLU HN . 15891 1 94 . 1 1 58 58 GLU N N 15 122.252 0.013 . 1 . . . . 51 GLU N . 15891 1 95 . 1 1 59 59 ASP H H 1 8.251 0.0018 . 1 . . . . 52 ASP HN . 15891 1 96 . 1 1 59 59 ASP N N 15 116.369 0.013 . 1 . . . . 52 ASP N . 15891 1 97 . 1 1 60 60 ALA H H 1 7.121 0.0018 . 1 . . . . 53 ALA HN . 15891 1 98 . 1 1 60 60 ALA N N 15 122.127 0.013 . 1 . . . . 53 ALA N . 15891 1 99 . 1 1 61 61 GLU H H 1 8.515 0.0018 . 1 . . . . 54 GLU HN . 15891 1 100 . 1 1 61 61 GLU N N 15 121.446 0.013 . 1 . . . . 54 GLU N . 15891 1 101 . 1 1 62 62 ILE H H 1 8.272 0.0018 . 1 . . . . 55 ILE HN . 15891 1 102 . 1 1 62 62 ILE N N 15 123.319 0.013 . 1 . . . . 55 ILE N . 15891 1 103 . 1 1 63 63 ILE H H 1 8.461 0.0018 . 1 . . . . 56 ILE HN . 15891 1 104 . 1 1 63 63 ILE N N 15 123.796 0.013 . 1 . . . . 56 ILE N . 15891 1 105 . 1 1 64 64 VAL H H 1 8.669 0.0018 . 1 . . . . 57 VAL HN . 15891 1 106 . 1 1 64 64 VAL N N 15 123.186 0.013 . 1 . . . . 57 VAL N . 15891 1 107 . 1 1 65 65 LYS H H 1 9.604 0.0018 . 1 . . . . 58 LYS HN . 15891 1 108 . 1 1 65 65 LYS N N 15 130.330 0.013 . 1 . . . . 58 LYS N . 15891 1 109 . 1 1 66 66 ILE H H 1 7.949 0.0018 . 1 . . . . 59 ILE HN . 15891 1 110 . 1 1 66 66 ILE N N 15 121.476 0.013 . 1 . . . . 59 ILE N . 15891 1 111 . 1 1 67 67 PHE H H 1 9.504 0.0018 . 1 . . . . 60 PHE HN . 15891 1 112 . 1 1 67 67 PHE N N 15 126.238 0.013 . 1 . . . . 60 PHE N . 15891 1 113 . 1 1 68 68 VAL H H 1 9.188 0.0018 . 1 . . . . 61 VAL HN . 15891 1 114 . 1 1 68 68 VAL N N 15 122.177 0.013 . 1 . . . . 61 VAL N . 15891 1 115 . 1 1 69 69 GLU H H 1 8.628 0.0018 . 1 . . . . 62 GLU HN . 15891 1 116 . 1 1 69 69 GLU N N 15 127.932 0.013 . 1 . . . . 62 GLU N . 15891 1 117 . 1 1 70 70 PHE H H 1 8.734 0.0018 . 1 . . . . 63 PHE HN . 15891 1 118 . 1 1 70 70 PHE N N 15 127.302 0.013 . 1 . . . . 63 PHE N . 15891 1 119 . 1 1 71 71 SER H H 1 8.615 0.0018 . 1 . . . . 64 SER HN . 15891 1 120 . 1 1 71 71 SER N N 15 116.144 0.013 . 1 . . . . 64 SER N . 15891 1 121 . 1 1 72 72 ILE H H 1 7.946 0.0018 . 1 . . . . 65 ILE HN . 15891 1 122 . 1 1 72 72 ILE N N 15 116.159 0.013 . 1 . . . . 65 ILE N . 15891 1 123 . 1 1 73 73 ALA H H 1 8.824 0.0018 . 1 . . . . 66 ALA HN . 15891 1 124 . 1 1 73 73 ALA N N 15 126.823 0.013 . 1 . . . . 66 ALA N . 15891 1 125 . 1 1 74 74 SER H H 1 8.032 0.0018 . 1 . . . . 67 SER HN . 15891 1 126 . 1 1 74 74 SER N N 15 110.779 0.013 . 1 . . . . 67 SER N . 15891 1 127 . 1 1 75 75 GLU H H 1 7.311 0.0018 . 1 . . . . 68 GLU HN . 15891 1 128 . 1 1 75 75 GLU N N 15 124.080 0.013 . 1 . . . . 68 GLU N . 15891 1 129 . 1 1 76 76 THR H H 1 7.030 0.0018 . 1 . . . . 69 THR HN . 15891 1 130 . 1 1 76 76 THR N N 15 115.230 0.013 . 1 . . . . 69 THR N . 15891 1 131 . 1 1 77 77 HIS H H 1 7.816 0.0018 . 1 . . . . 70 HIS HN . 15891 1 132 . 1 1 77 77 HIS N N 15 116.593 0.013 . 1 . . . . 70 HIS N . 15891 1 133 . 1 1 78 78 LYS H H 1 7.399 0.0018 . 1 . . . . 71 LYS HN . 15891 1 134 . 1 1 78 78 LYS N N 15 120.310 0.013 . 1 . . . . 71 LYS N . 15891 1 135 . 1 1 79 79 ALA H H 1 7.823 0.0018 . 1 . . . . 72 ALA HN . 15891 1 136 . 1 1 79 79 ALA N N 15 122.780 0.013 . 1 . . . . 72 ALA N . 15891 1 137 . 1 1 80 80 ILE H H 1 8.069 0.0018 . 1 . . . . 73 ILE HN . 15891 1 138 . 1 1 80 80 ILE N N 15 118.170 0.013 . 1 . . . . 73 ILE N . 15891 1 139 . 1 1 81 81 GLN H H 1 7.512 0.0018 . 1 . . . . 74 GLN HN . 15891 1 140 . 1 1 81 81 GLN N N 15 115.829 0.013 . 1 . . . . 74 GLN N . 15891 1 141 . 1 1 82 82 ALA H H 1 7.177 0.0018 . 1 . . . . 75 ALA HN . 15891 1 142 . 1 1 82 82 ALA N N 15 119.138 0.013 . 1 . . . . 75 ALA N . 15891 1 143 . 1 1 83 83 LEU H H 1 8.052 0.0018 . 1 . . . . 76 LEU HN . 15891 1 144 . 1 1 83 83 LEU N N 15 115.964 0.013 . 1 . . . . 76 LEU N . 15891 1 145 . 1 1 84 84 ASN H H 1 8.272 0.0018 . 1 . . . . 77 ASN HN . 15891 1 146 . 1 1 84 84 ASN N N 15 115.289 0.013 . 1 . . . . 77 ASN N . 15891 1 147 . 1 1 85 85 GLY H H 1 8.741 0.0018 . 1 . . . . 78 GLY HN . 15891 1 148 . 1 1 85 85 GLY N N 15 116.548 0.013 . 1 . . . . 78 GLY N . 15891 1 149 . 1 1 86 86 ARG H H 1 7.621 0.0018 . 1 . . . . 79 ARG HN . 15891 1 150 . 1 1 86 86 ARG N N 15 120.430 0.013 . 1 . . . . 79 ARG N . 15891 1 151 . 1 1 87 87 TRP H H 1 8.549 0.0018 . 1 . . . . 80 TRP HN . 15891 1 152 . 1 1 87 87 TRP N N 15 121.476 0.013 . 1 . . . . 80 TRP N . 15891 1 153 . 1 1 88 88 PHE H H 1 9.548 0.0018 . 1 . . . . 81 PHE HN . 15891 1 154 . 1 1 88 88 PHE N N 15 125.624 0.013 . 1 . . . . 81 PHE N . 15891 1 155 . 1 1 90 90 GLY H H 1 8.502 0.0018 . 1 . . . . 83 GLY HN . 15891 1 156 . 1 1 90 90 GLY N N 15 103.064 0.013 . 1 . . . . 83 GLY N . 15891 1 157 . 1 1 91 91 ARG H H 1 8.110 0.0018 . 1 . . . . 84 ARG HN . 15891 1 158 . 1 1 91 91 ARG N N 15 120.996 0.013 . 1 . . . . 84 ARG N . 15891 1 159 . 1 1 92 92 LYS H H 1 8.114 0.0018 . 1 . . . . 85 LYS HN . 15891 1 160 . 1 1 92 92 LYS N N 15 123.966 0.013 . 1 . . . . 85 LYS N . 15891 1 161 . 1 1 93 93 VAL H H 1 8.632 0.0018 . 1 . . . . 86 VAL HN . 15891 1 162 . 1 1 93 93 VAL N N 15 129.206 0.013 . 1 . . . . 86 VAL N . 15891 1 163 . 1 1 94 94 VAL H H 1 8.002 0.0018 . 1 . . . . 87 VAL HN . 15891 1 164 . 1 1 94 94 VAL N N 15 127.497 0.013 . 1 . . . . 87 VAL N . 15891 1 165 . 1 1 95 95 ALA H H 1 8.646 0.0018 . 1 . . . . 88 ALA HN . 15891 1 166 . 1 1 95 95 ALA N N 15 130.899 0.013 . 1 . . . . 88 ALA N . 15891 1 167 . 1 1 96 96 GLU H H 1 8.619 0.0018 . 1 . . . . 89 GLU HN . 15891 1 168 . 1 1 96 96 GLU N N 15 118.014 0.013 . 1 . . . . 89 GLU N . 15891 1 169 . 1 1 97 97 VAL H H 1 8.389 0.0018 . 1 . . . . 90 VAL HN . 15891 1 170 . 1 1 97 97 VAL N N 15 120.966 0.013 . 1 . . . . 90 VAL N . 15891 1 171 . 1 1 98 98 TYR H H 1 8.702 0.0018 . 1 . . . . 91 TYR HN . 15891 1 172 . 1 1 98 98 TYR N N 15 129.550 0.013 . 1 . . . . 91 TYR N . 15891 1 173 . 1 1 99 99 ASP H H 1 7.478 0.0018 . 1 . . . . 92 ASP HN . 15891 1 174 . 1 1 99 99 ASP N N 15 127.302 0.013 . 1 . . . . 92 ASP N . 15891 1 175 . 1 1 100 100 GLN H H 1 8.636 0.0018 . 1 . . . . 93 GLN HN . 15891 1 176 . 1 1 100 100 GLN N N 15 129.191 0.013 . 1 . . . . 93 GLN N . 15891 1 177 . 1 1 102 102 ARG H H 1 8.065 0.0018 . 1 . . . . 95 ARG HN . 15891 1 178 . 1 1 102 102 ARG N N 15 118.937 0.013 . 1 . . . . 95 ARG N . 15891 1 179 . 1 1 103 103 PHE H H 1 8.304 0.0018 . 1 . . . . 96 PHE HN . 15891 1 180 . 1 1 103 103 PHE N N 15 120.307 0.013 . 1 . . . . 96 PHE N . 15891 1 181 . 1 1 104 104 ASP H H 1 9.306 0.0018 . 1 . . . . 97 ASP HN . 15891 1 182 . 1 1 104 104 ASP N N 15 122.717 0.013 . 1 . . . . 97 ASP N . 15891 1 183 . 1 1 105 105 ASN H H 1 7.517 0.0018 . 1 . . . . 98 ASN HN . 15891 1 184 . 1 1 105 105 ASN N N 15 117.654 0.013 . 1 . . . . 98 ASN N . 15891 1 185 . 1 1 106 106 SER H H 1 7.986 0.0018 . 1 . . . . 99 SER HN . 15891 1 186 . 1 1 106 106 SER N N 15 112.337 0.013 . 1 . . . . 99 SER N . 15891 1 187 . 1 1 107 107 ASP H H 1 8.306 0.0018 . 1 . . . . 100 ASP HN . 15891 1 188 . 1 1 107 107 ASP N N 15 117.103 0.013 . 1 . . . . 100 ASP N . 15891 1 189 . 1 1 108 108 LEU H H 1 8.276 0.0018 . 1 . . . . 101 LEU HN . 15891 1 190 . 1 1 108 108 LEU N N 15 127.917 0.013 . 1 . . . . 101 LEU N . 15891 1 191 . 1 1 109 109 SER H H 1 7.852 0.0018 . 1 . . . . 102 SER HN . 15891 1 192 . 1 1 109 109 SER N N 15 113.266 0.013 . 1 . . . . 102 SER N . 15891 1 193 . 1 1 110 110 ALA H H 1 7.962 0.0018 . 1 . . . . 103 ALA HN . 15891 1 194 . 1 1 110 110 ALA N N 15 131.633 0.013 . 1 . . . . 103 ALA N . 15891 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15891 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $minimal_complex_of_Puf60_and_Prp16(201-238) _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details 'chemical shifts transferred by titration' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data ; 0 2.393 24.350 0.000 0 2 {?} {88.hn} 8.646 0.049 0.049 { ?} 0.000 0 0 0 {?} {88.n} 130.899 0.362 0.362 { ?} 0.000 0 0 0 {?} 1 1.392 13.100 0.000 0 2 {?} {46.hn} 8.878 0.047 0.047 { ?} 0.000 0 0 0 {?} {46.n} 130.376 0.348 0.348 { ?} 0.000 0 0 0 {?} 2 2.396 24.141 0.000 0 2 {?} {91.hn} 8.702 0.057 0.057 { ?} 0.000 0 0 0 {?} {91.n} 129.550 0.356 0.356 { ?} 0.000 0 0 0 {?} 3 1.909 19.270 0.000 0 2 {?} {86.hn} 8.632 0.037 0.037 { ?} 0.000 0 0 0 {?} {86.n} 129.206 0.482 0.482 { ?} 0.000 0 0 0 {?} 4 2.588 24.348 0.000 0 2 {?} {62.hn} 8.628 0.055 0.055 { ?} 0.000 0 0 0 {?} {62.n} 127.932 0.352 0.352 { ?} 0.000 0 0 0 {?} 5 1.946 18.327 0.000 0 2 {?} {63.hn} 8.734 0.049 0.049 { ?} 0.000 0 0 0 {?} {63.n} 127.302 0.321 0.321 { ?} 0.000 0 0 0 {?} 6 2.759 28.581 0.000 0 2 {?} {15.hn} 8.880 0.048 0.048 { ?} 0.000 0 0 0 {?} {15.n} 125.234 0.421 0.421 { ?} 0.000 0 0 0 {?} 7 4.009 40.182 0.000 0 2 {?} {57.hn} 8.669 0.037 0.037 { ?} 0.000 0 0 0 {?} {57.n} 123.186 0.482 0.482 { ?} 0.000 0 0 0 {?} 8 1.268 9.291 0.000 0 2 {?} {51.hn} 8.926 0.035 0.035 { ?} 0.000 0 0 0 {?} {51.n} 122.252 0.397 0.397 { ?} 0.000 0 0 0 {?} 9 5.378 44.782 0.000 0 2 {?} {50.hn} 8.745 0.042 0.042 { ?} 0.000 0 0 0 {?} {50.n} 120.262 0.500 0.500 { ?} 0.000 0 0 0 {?} 10 3.228 32.857 0.000 0 2 {?} {27.hn} 8.557 0.055 0.055 { ?} 0.000 0 0 0 {?} {27.n} 120.007 0.429 0.429 { ?} 0.000 0 0 0 {?} 11 2.121 24.469 0.000 0 2 {?} {12.hn} 8.816 0.043 0.043 { ?} 0.000 0 0 0 {?} {12.n} 116.993 0.429 0.429 { ?} 0.000 0 0 0 {?} 12 2.029 13.876 0.000 0 2 {?} {13.hn} 8.589 0.031 0.031 { ?} 0.000 0 0 0 {?} {13.n} 116.668 0.346 0.346 { ?} 0.000 0 0 0 {?} 13 2.219 16.682 0.000 0 2 {?} {78.hn} 8.741 0.043 0.043 { ?} 0.000 0 0 0 {?} {78.n} 116.548 0.348 0.348 { ?} 0.000 0 0 0 {?} 14 3.845 33.193 0.000 0 2 {?} {17.hn} 8.641 0.049 0.049 { ?} 0.000 0 0 0 {?} {17.n} 115.754 0.321 0.321 { ?} 0.000 0 0 0 {?} 15 3.065 28.240 0.000 0 2 {?} {25.hn} 8.667 0.054 0.054 { ?} 0.000 0 0 0 {?} {25.n} 110.509 0.371 0.371 { ?} 0.000 0 0 0 {?} 16 2.413 22.934 0.000 0 2 {?} {101.hn} 8.276 0.055 0.055 { ?} 0.000 0 0 0 {?} {101.n} 127.917 0.375 0.375 { ?} 0.000 0 0 0 {?} 17 2.267 21.852 0.000 0 2 {?} {87.hn} 8.002 0.061 0.061 { ?} 0.000 0 0 0 {?} {87.n} 127.497 0.348 0.348 { ?} 0.000 0 0 0 {?} 18 1.574 7.302 0.000 0 2 {?} {20.hn} 7.404 0.041 0.041 { ?} 0.000 0 0 0 {?} {20.n} 126.808 0.151 0.151 { ?} 0.000 0 0 0 {?} 19 2.886 27.804 0.000 0 2 {?} {44.hn} 8.079 0.043 0.043 { ?} 0.000 0 0 0 {?} {44.n} 126.279 0.429 0.429 { ?} 0.000 0 0 0 {?} 20 5.258 36.922 0.000 0 2 {?} {85.hn} 8.114 0.037 0.037 { ?} 0.000 0 0 0 {?} {85.n} 123.966 0.348 0.348 { ?} 0.000 0 0 0 {?} 21 3.115 33.742 0.000 0 2 {?} {72.hn} 7.823 0.055 0.055 { ?} 0.000 0 0 0 {?} {72.n} 122.780 0.429 0.429 { ?} 0.000 0 0 0 {?} 22 3.495 33.909 0.000 0 2 {?} {40.hn} 8.350 0.043 0.043 { ?} 0.000 0 0 0 {?} {40.n} 122.450 0.402 0.402 { ?} 0.000 0 0 0 {?} 23 4.489 51.120 0.000 0 2 {?} {53.hn} 7.121 0.061 0.061 { ?} 0.000 0 0 0 {?} {53.n} 122.127 0.455 0.455 { ?} 0.000 0 0 0 {?} 24 1.800 19.848 0.000 0 2 {?} {59.hn} 7.949 0.049 0.049 { ?} 0.000 0 0 0 {?} {59.n} 121.476 0.402 0.402 { ?} 0.000 0 0 0 {?} 25 3.805 34.913 0.000 0 2 {?} {19.hn} 7.171 0.049 0.049 { ?} 0.000 0 0 0 {?} {19.n} 119.797 0.429 0.429 { ?} 0.000 0 0 0 {?} 26 3.430 34.410 0.000 0 2 {?} {75.hn} 7.177 0.047 0.047 { ?} 0.000 0 0 0 {?} {75.n} 119.138 0.414 0.414 { ?} 0.000 0 0 0 {?} 27 3.141 23.964 0.000 0 2 {?} {73.hn} 8.069 0.033 0.033 { ?} 0.000 0 0 0 {?} {73.n} 118.170 0.267 0.267 { ?} 0.000 0 0 0 {?} 28 4.164 46.419 0.000 0 2 {?} {95.hn} 8.065 0.043 0.043 { ?} 0.000 0 0 0 {?} {95.n} 118.937 0.375 0.375 { ?} 0.000 0 0 0 {?} 29 3.194 30.182 0.000 0 2 {?} {98.hn} 7.517 0.044 0.044 { ?} 0.000 0 0 0 {?} {98.n} 117.654 0.372 0.372 { ?} 0.000 0 0 0 {?} 30 3.946 45.103 0.000 0 2 {?} {70.hn} 7.816 0.043 0.043 { ?} 0.000 0 0 0 {?} {70.n} 116.593 0.429 0.429 { ?} 0.000 0 0 0 {?} 31 3.772 26.568 0.000 0 2 {?} {52.hn} 8.251 0.031 0.031 { ?} 0.000 0 0 0 {?} {52.n} 116.369 0.321 0.321 { ?} 0.000 0 0 0 {?} 32 4.290 36.456 0.000 0 2 {?} {5.hn} 8.208 0.035 0.035 { ?} 0.000 0 0 0 {?} {5.n} 115.874 0.443 0.443 { ?} 0.000 0 0 0 {?} 33 2.775 29.011 0.000 0 2 {?} {34.hn} 7.719 0.055 0.055 { ?} 0.000 0 0 0 {?} {34.n} 116.488 0.402 0.402 { ?} 0.000 0 0 0 {?} 34 4.074 35.031 0.000 0 2 {?} {39.hn} 7.375 0.040 0.040 { ?} 0.000 0 0 0 {?} {39.n} 115.035 0.416 0.416 { ?} 0.000 0 0 0 {?} 35 2.921 24.203 0.000 0 2 {?} {102.hn} 7.852 0.044 0.044 { ?} 0.000 0 0 0 {?} {102.n} 113.266 0.372 0.372 { ?} 0.000 0 0 0 {?} 36 3.115 29.050 0.000 0 2 {?} {99.hn} 7.986 0.044 0.044 { ?} 0.000 0 0 0 {?} {99.n} 112.337 0.394 0.394 { ?} 0.000 0 0 0 {?} 37 4.989 47.574 0.000 0 2 {?} {48.hn} 7.646 0.062 0.062 { ?} 0.000 0 0 0 {?} {48.n} 108.786 0.390 0.390 { ?} 0.000 0 0 0 {?} 38 2.626 26.255 0.000 0 2 {?} {32.hn} 8.112 0.059 0.059 { ?} 0.000 0 0 0 {?} {32.n} 107.754 0.406 0.406 { ?} 0.000 0 0 0 {?} 39 1.612 12.852 0.000 0 2 {?} {58.hn} 9.604 0.041 0.041 { ?} 0.000 0 0 0 {?} {58.n} 130.330 0.375 0.375 { ?} 0.000 0 0 0 {?} 40 1.840 13.252 0.000 0 2 {?} {11.hn} 9.554 0.043 0.043 { ?} 0.000 0 0 0 {?} {11.n} 124.095 0.348 0.348 { ?} 0.000 0 0 0 {?} 41 1.895 16.929 0.000 0 2 {?} {81.hn} 9.548 0.043 0.043 { ?} 0.000 0 0 0 {?} {81.n} 125.624 0.388 0.388 { ?} 0.000 0 0 0 {?} 42 1.783 20.383 0.000 0 2 {?} {60.hn} 9.504 0.043 0.043 { ?} 0.000 0 0 0 {?} {60.n} 126.238 0.415 0.415 { ?} 0.000 0 0 0 {?} 43 2.406 21.313 0.000 0 2 {?} {38.hn} 9.368 0.050 0.050 { ?} 0.000 0 0 0 {?} {38.n} 128.232 0.367 0.367 { ?} 0.000 0 0 0 {?} 44 2.527 25.635 0.000 0 2 {?} {9.hn} 9.330 0.050 0.050 { ?} 0.000 0 0 0 {?} {9.n} 124.305 0.411 0.411 { ?} 0.000 0 0 0 {?} 45 3.206 29.012 0.000 0 2 {?} {97.hn} 9.306 0.050 0.050 { ?} 0.000 0 0 0 {?} {97.n} 122.717 0.384 0.384 { ?} 0.000 0 0 0 {?} 46 2.128 21.988 0.000 0 2 {?} {43.hn} 9.254 0.047 0.047 { ?} 0.000 0 0 0 {?} {43.n} 131.671 0.402 0.402 { ?} 0.000 0 0 0 {?} 47 2.579 26.999 0.000 0 2 {?} {41.hn} 9.238 0.049 0.049 { ?} 0.000 0 0 0 {?} {41.n} 125.729 0.415 0.415 { ?} 0.000 0 0 0 {?} 48 2.524 20.946 0.000 0 2 {?} {61.hn} 9.188 0.046 0.046 { ?} 0.000 0 0 0 {?} {61.n} 122.177 0.375 0.375 { ?} 0.000 0 0 0 {?} 49 2.188 17.602 0.000 0 2 {?} {8.hn} 9.082 0.041 0.041 { ?} 0.000 0 0 0 {?} {8.n} 127.587 0.382 0.382 { ?} 0.000 0 0 0 {?} 50 2.797 23.246 0.000 0 2 {?} {42.hn} 9.087 0.041 0.041 { ?} 0.000 0 0 0 {?} {42.n} 128.927 0.408 0.408 { ?} 0.000 0 0 0 {?} 51 1.711 17.716 0.000 0 2 {?} {10.hn} 9.078 0.061 0.061 { ?} 0.000 0 0 0 {?} {10.n} 126.343 0.321 0.321 { ?} 0.000 0 0 0 {?} 52 3.808 37.187 0.000 0 2 {?} {47.hn} 9.054 0.049 0.049 { ?} 0.000 0 0 0 {?} {47.n} 124.065 0.411 0.411 { ?} 0.000 0 0 0 {?} 53 3.904 36.307 0.000 0 2 {?} {24.hn} 8.983 0.043 0.043 { ?} 0.000 0 0 0 {?} {24.n} 118.808 0.402 0.402 { ?} 0.000 0 0 0 {?} 54 2.552 24.257 0.000 0 2 {?} {7.hn} 8.882 0.041 0.041 { ?} 0.000 0 0 0 {?} {7.n} 126.029 0.403 0.403 { ?} 0.000 0 0 0 {?} 55 2.883 28.622 0.000 0 2 {?} {66.hn} 8.824 0.049 0.049 { ?} 0.000 0 0 0 {?} {66.n} 126.823 0.388 0.388 { ?} 0.000 0 0 0 {?} 56 3.368 30.170 0.000 0 2 {?} {45.hn} 8.683 0.031 0.031 { ?} 0.000 0 0 0 {?} {45.n} 123.061 0.429 0.429 { ?} 0.000 0 0 0 {?} 57 2.504 24.926 0.000 0 2 {?} {64.hn} 8.615 0.049 0.049 { ?} 0.000 0 0 0 {?} {64.n} 116.144 0.348 0.348 { ?} 0.000 0 0 0 {?} 58 2.785 26.555 0.000 0 2 {?} {89.hn} 8.619 0.043 0.043 { ?} 0.000 0 0 0 {?} {89.n} 118.014 0.375 0.375 { ?} 0.000 0 0 0 {?} 59 3.928 36.313 0.000 0 2 {?} {54.hn} 8.515 0.046 0.046 { ?} 0.000 0 0 0 {?} {54.n} 121.446 0.396 0.396 { ?} 0.000 0 0 0 {?} 60 2.833 28.156 0.000 0 2 {?} {31.hn} 8.441 0.049 0.049 { ?} 0.000 0 0 0 {?} {31.n} 113.386 0.394 0.394 { ?} 0.000 0 0 0 {?} 61 2.423 27.104 0.000 0 2 {?} {56.hn} 8.461 0.043 0.043 { ?} 0.000 0 0 0 {?} {56.n} 123.796 0.402 0.402 { ?} 0.000 0 0 0 {?} 62 1.678 11.145 0.000 0 2 {?} {21.hn} 8.473 0.037 0.037 { ?} 0.000 0 0 0 {?} {21.n} 117.939 0.348 0.348 { ?} 0.000 0 0 0 {?} 63 3.094 30.225 0.000 0 2 {?} {80.hn} 8.549 0.044 0.044 { ?} 0.000 0 0 0 {?} {80.n} 121.476 0.441 0.441 { ?} 0.000 0 0 0 {?} 64 4.043 37.656 0.000 0 2 {?} {90.hn} 8.389 0.056 0.056 { ?} 0.000 0 0 0 {?} {90.n} 120.966 0.442 0.442 { ?} 0.000 0 0 0 {?} 65 2.665 24.702 0.000 0 2 {?} {6.hn} 8.365 0.049 0.049 { ?} 0.000 0 0 0 {?} {6.n} 113.656 0.350 0.350 { ?} 0.000 0 0 0 {?} 66 3.079 29.974 0.000 0 2 {?} {37.hn} 8.359 0.050 0.050 { ?} 0.000 0 0 0 {?} {37.n} 124.844 0.439 0.439 { ?} 0.000 0 0 0 {?} 67 2.481 26.027 0.000 0 2 {?} {77.hn} 8.272 0.043 0.043 { ?} 0.000 0 0 0 {?} {77.n} 115.289 0.402 0.402 { ?} 0.000 0 0 0 {?} 68 3.143 29.375 0.000 0 2 {?} {22.hn} 8.298 0.055 0.055 { ?} 0.000 0 0 0 {?} {22.n} 118.988 0.321 0.321 { ?} 0.000 0 0 0 {?} 69 2.617 24.986 0.000 0 2 {?} {55.hn} 8.272 0.061 0.061 { ?} 0.000 0 0 0 {?} {55.n} 123.319 0.348 0.348 { ?} 0.000 0 0 0 {?} 70 2.908 28.247 0.000 0 2 {?} {100.hn} 8.306 0.038 0.038 { ?} 0.000 0 0 0 {?} {100.n} 117.103 0.202 0.202 { ?} 0.000 0 0 0 {?} 71 2.678 29.931 0.000 0 2 {?} {96.hn} 8.304 0.055 0.055 { ?} 0.000 0 0 0 {?} {96.n} 120.307 0.462 0.462 { ?} 0.000 0 0 0 {?} 72 2.591 23.479 0.000 0 2 {?} {28.hn} 8.371 0.034 0.034 { ?} 0.000 0 0 0 {?} {28.n} 117.373 0.202 0.202 { ?} 0.000 0 0 0 {?} 73 3.195 35.470 0.000 0 2 {?} {4.hn} 8.302 0.049 0.049 { ?} 0.000 0 0 0 {?} {4.n} 121.835 0.411 0.411 { ?} 0.000 0 0 0 {?} 74 3.588 25.195 0.000 0 2 {?} {18.hn} 8.016 0.048 0.048 { ?} 0.000 0 0 0 {?} {18.n} 118.407 0.305 0.305 { ?} 0.000 0 0 0 {?} 75 3.026 21.135 0.000 0 2 {?} {76.hn} 8.052 0.033 0.033 { ?} 0.000 0 0 0 {?} {76.n} 115.964 0.396 0.396 { ?} 0.000 0 0 0 {?} 76 3.435 23.108 0.000 0 2 {?} {65.hn} 7.946 0.037 0.037 { ?} 0.000 0 0 0 {?} {65.n} 116.159 0.375 0.375 { ?} 0.000 0 0 0 {?} 77 2.951 24.643 0.000 0 2 {?} {30.hn} 7.788 0.043 0.043 { ?} 0.000 0 0 0 {?} {30.n} 119.033 0.357 0.357 { ?} 0.000 0 0 0 {?} 78 3.134 29.972 0.000 0 2 {?} {103.hn} 7.962 0.061 0.061 { ?} 0.000 0 0 0 {?} {103.n} 131.633 0.402 0.402 { ?} 0.000 0 0 0 {?} 79 3.354 32.629 0.000 0 2 {?} {74.hn} 7.512 0.044 0.044 { ?} 0.000 0 0 0 {?} {74.n} 115.829 0.406 0.406 { ?} 0.000 0 0 0 {?} 80 4.643 48.443 0.000 0 2 {?} {92.hn} 7.478 0.067 0.067 { ?} 0.000 0 0 0 {?} {92.n} 127.302 0.348 0.348 { ?} 0.000 0 0 0 {?} 81 3.325 3.325 0.000 0 2 {?} {23.hn} 7.441 0.057 0.057 { ?} 0.000 0 0 0 {?} {23.n} 123.316 0.428 0.428 { ?} 0.000 0 0 0 {?} 82 3.749 37.815 0.000 0 2 {?} {71.hn} 7.399 0.052 0.052 { ?} 0.000 0 0 0 {?} {71.n} 120.310 0.405 0.405 { ?} 0.000 0 0 0 {?} 83 3.317 29.517 0.000 0 2 {?} {35.hn} 7.361 0.044 0.044 { ?} 0.000 0 0 0 {?} {35.n} 104.272 0.416 0.416 { ?} 0.000 0 0 0 {?} 84 2.815 21.357 0.000 0 2 {?} {69.hn} 7.030 0.040 0.040 { ?} 0.000 0 0 0 {?} {69.n} 115.230 0.372 0.372 { ?} 0.000 0 0 0 {?} 85 1.238 12.080 0.000 0 2 {?} {14.hn} 6.690 0.049 0.049 { ?} 0.000 0 0 0 {?} {14.n} 105.641 0.328 0.328 { ?} 0.000 0 0 0 {?} 86 3.282 46.420 0.000 0 2 {?} {26.hn} 8.121 0.046 0.046 { ?} 0.000 0 0 0 {?} {26.n} 124.175 0.420 0.420 { ?} 0.000 0 0 0 {?} 87 2.545 24.453 0.000 0 2 {?} {68.hn} 7.311 0.049 0.049 { ?} 0.000 0 0 0 {?} {68.n} 124.080 0.375 0.375 { ?} 0.000 0 0 0 {?} 88 3.748 46.020 0.000 0 2 {?} {29.hn} 8.221 0.041 0.041 { ?} 0.000 0 0 0 {?} {29.n} 122.571 0.455 0.455 { ?} 0.000 0 0 0 {?} 89 3.115 33.743 0.000 0 2 {?} {84.hn} 8.110 0.055 0.055 { ?} 0.000 0 0 0 {?} {84.n} 120.996 0.455 0.455 { ?} 0.000 0 0 0 {?} 90 3.528 31.589 0.000 0 2 {?} {79.hn} 7.621 0.050 0.050 { ?} 0.000 0 0 0 {?} {79.n} 120.430 0.369 0.369 { ?} 0.000 0 0 0 {?} 91 2.044 20.285 0.000 0 2 {?} {49.hn} 8.447 0.043 0.043 { ?} 0.000 0 0 0 {?} {49.n} 116.908 0.415 0.415 { ?} 0.000 0 0 0 {?} 92 3.247 26.433 0.000 0 2 {?} {36.hn} 8.205 0.049 0.049 { ?} 0.000 0 0 0 {?} {36.n} 122.223 0.241 0.241 { ?} 0.000 0 0 0 {?} 93 2.830 21.979 0.000 0 2 {?} {33.hn} 7.018 0.040 0.040 { ?} 0.000 0 0 0 {?} {33.n} 117.864 0.394 0.394 { ?} 0.000 0 0 0 {?} 94 2.809 31.358 0.000 0 2 {?} {93.hn} 8.636 0.043 0.043 { ?} 0.000 0 0 0 {?} {93.n} 129.191 0.455 0.455 { ?} 0.000 0 0 0 {?} 95 2.434 24.414 0.000 0 2 {?} {83.hn} 8.502 0.044 0.044 { ?} 0.000 0 0 0 {?} {83.n} 103.064 0.394 0.394 { ?} 0.000 0 0 0 {?} 96 1.282 9.632 0.000 0 2 {?} {67.hn} 8.032 0.040 0.040 { ?} 0.000 0 0 0 {?} {67.n} 110.779 0.350 0.350 { ?} 0.000 0 0 0 {?} ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 HN . 3255.21 . . . 15891 1 3 N 15 N . 1572.33 . . . 15891 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $NMRView . . 15891 1 stop_ save_