data_15887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15887 _Entry.Title ; 1H, 15N chemical shifts of the UHM domain of Puf60 in complex with U2AF65(85-112) ; _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 U2AF65(85-112)' _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 . . . 15887 2 Michael Sattler . . . 15887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 84 15887 '1H chemical shifts' 84 15887 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' 15887 3 . . 2009-02-11 2008-07-25 update BMRB 'correct residue numbers in data table' 15887 2 . . 2008-12-03 2008-07-25 update BMRB 'complete entry citation' 15887 1 . . 2008-10-15 2008-07-25 original author 'original release' 15887 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' 15887 BMRB 15888 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF1 (1-25)' 15887 BMRB 15889 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155 (194-229)' 15887 BMRB 15890 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155 (317-357)' 15887 BMRB 15891 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with Prp16 (201-238)' 15887 PDB 1jmt 'The peptide ligand U2AF65(85-112) in 1jmt is the same as the ligand titrated to Puf60(UHM) in this entry' 15887 PDB 2DNY 'NMR structure of the UHM domain of Puf60' 15887 PDB 3dxb 'crystal structure of the UHM domain of Puf60' 15887 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15887 _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 . . . 15887 1 2 Michael Sattler . . . 15887 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alternative splicing' 15887 1 'FBP interacting repressor' 15887 1 RRM 15887 1 splicing 15887 1 UHM 15887 1 'UHM ligand motif, ULM' 15887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15887 _Assembly.ID 1 _Assembly.Name 'minimal complex of Puf60 and U2AF65' _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 16979 _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' . 15887 1 2 U2AF65(85-112) 2 $U2AF65(85-112) A . no native no no . 'peptide ligand' . 15887 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1jmt . . X-ray 2.2 'structure of the UHM domain of U2AF35 bound to the same ligand (U2AF65(85-112)) as Puf60 in this entry' . 15887 1 yes PDB 2DNY . . 'solution NMR' . 'NMR structure of the UHM domain of Puf60, for which the backbone assignment is reported here' . 15887 1 yes PDB 3dxb . . X-ray 2.2 'crystal structure of the UHM domain of PUF60, for which the backbone assignment is reported here' . 15887 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'alternative splicing' 15887 1 splicing 15887 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 15887 _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 . . . . . . . . . . . . . . 15887 1 2 no BMRB 15885 . UHM_domain_of_Puf60 . . . . . 92.73 103 99.02 99.02 1.08e-65 . . . . 15887 1 3 no BMRB 15888 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15887 1 4 no BMRB 15889 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15887 1 5 no BMRB 15890 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15887 1 6 no BMRB 15891 . UHM_domain_of_Puf60 . . . . . 100.00 110 100.00 100.00 5.51e-74 . . . . 15887 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 . . . . 15887 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 . . . . 15887 1 9 no DBJ BAE28998 . "unnamed protein product [Mus musculus]" . . . . . 90.91 564 98.00 99.00 5.29e-60 . . . . 15887 1 10 no DBJ BAE30474 . "unnamed protein product [Mus musculus]" . . . . . 90.91 547 98.00 99.00 1.02e-59 . . . . 15887 1 11 no DBJ BAE40622 . "unnamed protein product [Mus musculus]" . . . . . 90.91 547 98.00 99.00 1.02e-59 . . . . 15887 1 12 no DBJ BAF85062 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15887 1 13 no DBJ BAI46053 . "poly-U binding splicing factor 60KDa [synthetic construct]" . . . . . 90.91 499 100.00 100.00 8.21e-61 . . . . 15887 1 14 no EMBL CAG33424 . "SIAHBP1 [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15887 1 15 no EMBL CAH89379 . "hypothetical protein [Pongo abelii]" . . . . . 90.91 513 100.00 100.00 8.03e-61 . . . . 15887 1 16 no EMBL CAH93447 . "hypothetical protein [Pongo abelii]" . . . . . 90.91 558 100.00 100.00 5.08e-61 . . . . 15887 1 17 no GB AAB41656 . "siah binding protein 1 [Homo sapiens]" . . . . . 90.91 541 100.00 100.00 9.46e-61 . . . . 15887 1 18 no GB AAD44358 . "RNA-binding protein SiahBP [Rattus norvegicus]" . . . . . 90.91 565 98.00 99.00 7.75e-60 . . . . 15887 1 19 no GB AAF05605 . "poly-U binding splicing factor PUF60 [Homo sapiens]" . . . . . 90.91 556 100.00 100.00 5.99e-61 . . . . 15887 1 20 no GB AAF23589 . "Ro ribonucleoprotein-binding protein 1 [Homo sapiens]" . . . . . 90.91 559 100.00 100.00 5.44e-61 . . . . 15887 1 21 no GB AAF27522 . "FBP-interacting repressor [Homo sapiens]" . . . . . 90.91 542 100.00 100.00 9.64e-61 . . . . 15887 1 22 no REF NP_001039598 . "poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 90.91 530 98.00 99.00 8.79e-60 . . . . 15887 1 23 no REF NP_001127017 . "poly(U)-binding-splicing factor PUF60 [Pongo abelii]" . . . . . 90.91 558 100.00 100.00 5.08e-61 . . . . 15887 1 24 no REF NP_001128734 . "DKFZP468L0227 protein [Pongo abelii]" . . . . . 90.91 513 100.00 100.00 8.03e-61 . . . . 15887 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 . . . . 15887 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 . . . . 15887 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 . . . . 15887 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 . . . . 15887 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 . . . . 15887 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 . . . . 15887 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 . . . . 15887 1 32 no TPG DAA22863 . "TPA: poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 90.91 530 99.00 100.00 9.55e-61 . . . . 15887 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'alternative splicing' 15887 1 splicing 15887 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 . 15887 1 2 -5 LYS . 15887 1 3 -4 HIS . 15887 1 4 -3 HIS . 15887 1 5 -2 HIS . 15887 1 6 -1 HIS . 15887 1 7 0 HIS . 15887 1 8 1 HIS . 15887 1 9 2 PRO . 15887 1 10 3 MET . 15887 1 11 4 GLU . 15887 1 12 5 SER . 15887 1 13 6 THR . 15887 1 14 7 VAL . 15887 1 15 8 MET . 15887 1 16 9 VAL . 15887 1 17 10 LEU . 15887 1 18 11 ARG . 15887 1 19 12 ASN . 15887 1 20 13 MET . 15887 1 21 14 VAL . 15887 1 22 15 ASP . 15887 1 23 16 PRO . 15887 1 24 17 LYS . 15887 1 25 18 ASP . 15887 1 26 19 ILE . 15887 1 27 20 ASP . 15887 1 28 21 ASP . 15887 1 29 22 ASP . 15887 1 30 23 LEU . 15887 1 31 24 GLU . 15887 1 32 25 GLY . 15887 1 33 26 GLU . 15887 1 34 27 VAL . 15887 1 35 28 THR . 15887 1 36 29 GLU . 15887 1 37 30 GLU . 15887 1 38 31 CYS . 15887 1 39 32 GLY . 15887 1 40 33 LYS . 15887 1 41 34 PHE . 15887 1 42 35 GLY . 15887 1 43 36 ALA . 15887 1 44 37 VAL . 15887 1 45 38 ASN . 15887 1 46 39 ARG . 15887 1 47 40 VAL . 15887 1 48 41 ILE . 15887 1 49 42 ILE . 15887 1 50 43 TYR . 15887 1 51 44 GLN . 15887 1 52 45 GLU . 15887 1 53 46 LYS . 15887 1 54 47 GLN . 15887 1 55 48 GLY . 15887 1 56 49 GLU . 15887 1 57 50 GLU . 15887 1 58 51 GLU . 15887 1 59 52 ASP . 15887 1 60 53 ALA . 15887 1 61 54 GLU . 15887 1 62 55 ILE . 15887 1 63 56 ILE . 15887 1 64 57 VAL . 15887 1 65 58 LYS . 15887 1 66 59 ILE . 15887 1 67 60 PHE . 15887 1 68 61 VAL . 15887 1 69 62 GLU . 15887 1 70 63 PHE . 15887 1 71 64 SER . 15887 1 72 65 ILE . 15887 1 73 66 ALA . 15887 1 74 67 SER . 15887 1 75 68 GLU . 15887 1 76 69 THR . 15887 1 77 70 HIS . 15887 1 78 71 LYS . 15887 1 79 72 ALA . 15887 1 80 73 ILE . 15887 1 81 74 GLN . 15887 1 82 75 ALA . 15887 1 83 76 LEU . 15887 1 84 77 ASN . 15887 1 85 78 GLY . 15887 1 86 79 ARG . 15887 1 87 80 TRP . 15887 1 88 81 PHE . 15887 1 89 82 ALA . 15887 1 90 83 GLY . 15887 1 91 84 ARG . 15887 1 92 85 LYS . 15887 1 93 86 VAL . 15887 1 94 87 VAL . 15887 1 95 88 ALA . 15887 1 96 89 GLU . 15887 1 97 90 VAL . 15887 1 98 91 TYR . 15887 1 99 92 ASP . 15887 1 100 93 GLN . 15887 1 101 94 GLU . 15887 1 102 95 ARG . 15887 1 103 96 PHE . 15887 1 104 97 ASP . 15887 1 105 98 ASN . 15887 1 106 99 SER . 15887 1 107 100 ASP . 15887 1 108 101 LEU . 15887 1 109 102 SER . 15887 1 110 103 ALA . 15887 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 15887 1 . LYS 2 2 15887 1 . HIS 3 3 15887 1 . HIS 4 4 15887 1 . HIS 5 5 15887 1 . HIS 6 6 15887 1 . HIS 7 7 15887 1 . HIS 8 8 15887 1 . PRO 9 9 15887 1 . MET 10 10 15887 1 . GLU 11 11 15887 1 . SER 12 12 15887 1 . THR 13 13 15887 1 . VAL 14 14 15887 1 . MET 15 15 15887 1 . VAL 16 16 15887 1 . LEU 17 17 15887 1 . ARG 18 18 15887 1 . ASN 19 19 15887 1 . MET 20 20 15887 1 . VAL 21 21 15887 1 . ASP 22 22 15887 1 . PRO 23 23 15887 1 . LYS 24 24 15887 1 . ASP 25 25 15887 1 . ILE 26 26 15887 1 . ASP 27 27 15887 1 . ASP 28 28 15887 1 . ASP 29 29 15887 1 . LEU 30 30 15887 1 . GLU 31 31 15887 1 . GLY 32 32 15887 1 . GLU 33 33 15887 1 . VAL 34 34 15887 1 . THR 35 35 15887 1 . GLU 36 36 15887 1 . GLU 37 37 15887 1 . CYS 38 38 15887 1 . GLY 39 39 15887 1 . LYS 40 40 15887 1 . PHE 41 41 15887 1 . GLY 42 42 15887 1 . ALA 43 43 15887 1 . VAL 44 44 15887 1 . ASN 45 45 15887 1 . ARG 46 46 15887 1 . VAL 47 47 15887 1 . ILE 48 48 15887 1 . ILE 49 49 15887 1 . TYR 50 50 15887 1 . GLN 51 51 15887 1 . GLU 52 52 15887 1 . LYS 53 53 15887 1 . GLN 54 54 15887 1 . GLY 55 55 15887 1 . GLU 56 56 15887 1 . GLU 57 57 15887 1 . GLU 58 58 15887 1 . ASP 59 59 15887 1 . ALA 60 60 15887 1 . GLU 61 61 15887 1 . ILE 62 62 15887 1 . ILE 63 63 15887 1 . VAL 64 64 15887 1 . LYS 65 65 15887 1 . ILE 66 66 15887 1 . PHE 67 67 15887 1 . VAL 68 68 15887 1 . GLU 69 69 15887 1 . PHE 70 70 15887 1 . SER 71 71 15887 1 . ILE 72 72 15887 1 . ALA 73 73 15887 1 . SER 74 74 15887 1 . GLU 75 75 15887 1 . THR 76 76 15887 1 . HIS 77 77 15887 1 . LYS 78 78 15887 1 . ALA 79 79 15887 1 . ILE 80 80 15887 1 . GLN 81 81 15887 1 . ALA 82 82 15887 1 . LEU 83 83 15887 1 . ASN 84 84 15887 1 . GLY 85 85 15887 1 . ARG 86 86 15887 1 . TRP 87 87 15887 1 . PHE 88 88 15887 1 . ALA 89 89 15887 1 . GLY 90 90 15887 1 . ARG 91 91 15887 1 . LYS 92 92 15887 1 . VAL 93 93 15887 1 . VAL 94 94 15887 1 . ALA 95 95 15887 1 . GLU 96 96 15887 1 . VAL 97 97 15887 1 . TYR 98 98 15887 1 . ASP 99 99 15887 1 . GLN 100 100 15887 1 . GLU 101 101 15887 1 . ARG 102 102 15887 1 . PHE 103 103 15887 1 . ASP 104 104 15887 1 . ASN 105 105 15887 1 . SER 106 106 15887 1 . ASP 107 107 15887 1 . LEU 108 108 15887 1 . SER 109 109 15887 1 . ALA 110 110 15887 1 stop_ save_ save_U2AF65(85-112) _Entity.Sf_category entity _Entity.Sf_framecode U2AF65(85-112) _Entity.Entry_ID 15887 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name U2AF65(85-112) _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 ; KKKVRKYWDVPPPGFEHITP MQYKAMQAGSHHHHHH ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment U2AF65(85-112) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4341.9 _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 yes UNP P26368 . U2AF2_human . . . . . . . . . . . . . . 15887 2 2 no PDB 1JMT . "X-Ray Structure Of A Core U2af65U2AF35 HETERODIMER" . . . . . 77.78 28 100.00 100.00 4.25e-11 . . . . 15887 2 3 no GB EHB13442 . "Splicing factor U2AF 65 kDa subunit [Heterocephalus glaber]" . . . . . 77.78 904 100.00 100.00 5.40e-11 . . . . 15887 2 4 no REF XP_006216375 . "PREDICTED: splicing factor U2AF 65 kDa subunit [Vicugna pacos]" . . . . . 77.78 423 100.00 100.00 2.15e-11 . . . . 15887 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'alternative splicing' 15887 2 splicing 15887 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 . LYS . 15887 2 2 . LYS . 15887 2 3 . LYS . 15887 2 4 . VAL . 15887 2 5 . ARG . 15887 2 6 . LYS . 15887 2 7 . TYR . 15887 2 8 . TRP . 15887 2 9 . ASP . 15887 2 10 . VAL . 15887 2 11 . PRO . 15887 2 12 . PRO . 15887 2 13 . PRO . 15887 2 14 . GLY . 15887 2 15 . PHE . 15887 2 16 . GLU . 15887 2 17 . HIS . 15887 2 18 . ILE . 15887 2 19 . THR . 15887 2 20 . PRO . 15887 2 21 . MET . 15887 2 22 . GLN . 15887 2 23 . TYR . 15887 2 24 . LYS . 15887 2 25 . ALA . 15887 2 26 . MET . 15887 2 27 . GLN . 15887 2 28 . ALA . 15887 2 29 . GLY . 15887 2 30 . SER . 15887 2 31 . HIS . 15887 2 32 . HIS . 15887 2 33 . HIS . 15887 2 34 . HIS . 15887 2 35 . HIS . 15887 2 36 . HIS . 15887 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 . LYS 1 1 15887 2 . LYS 2 2 15887 2 . LYS 3 3 15887 2 . VAL 4 4 15887 2 . ARG 5 5 15887 2 . LYS 6 6 15887 2 . TYR 7 7 15887 2 . TRP 8 8 15887 2 . ASP 9 9 15887 2 . VAL 10 10 15887 2 . PRO 11 11 15887 2 . PRO 12 12 15887 2 . PRO 13 13 15887 2 . GLY 14 14 15887 2 . PHE 15 15 15887 2 . GLU 16 16 15887 2 . HIS 17 17 15887 2 . ILE 18 18 15887 2 . THR 19 19 15887 2 . PRO 20 20 15887 2 . MET 21 21 15887 2 . GLN 22 22 15887 2 . TYR 23 23 15887 2 . LYS 24 24 15887 2 . ALA 25 25 15887 2 . MET 26 26 15887 2 . GLN 27 27 15887 2 . ALA 28 28 15887 2 . GLY 29 29 15887 2 . SER 30 30 15887 2 . HIS 31 31 15887 2 . HIS 32 32 15887 2 . HIS 33 33 15887 2 . HIS 34 34 15887 2 . HIS 35 35 15887 2 . HIS 36 36 15887 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 15887 _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 . . . . . . . . . . . . . . . . . . . . . 15887 1 2 2 $U2AF65(85-112) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15887 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 15887 _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 . . . . . . 15887 1 2 2 $U2AF65(85-112) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . . . . . . . . . . . pET9d . . . . . . 15887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_minimal_complex_of_Puf60_and_U2AF65 _Sample.Sf_category sample _Sample.Sf_framecode minimal_complex_of_Puf60_and_U2AF65 _Sample.Entry_ID 15887 _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 . . 0.177 . . mM 0.01 . . . 15887 1 2 U2AF65(85-112) 'natural abundance' . . 2 $U2AF65(85-112) . . 0.333 . . mM 0.01 . . . 15887 1 3 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 15887 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15887 1 5 b-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 15887 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15887 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15887 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 15887 _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 15887 1 pH 6.8 0.1 pH 15887 1 pressure 1 . atm 15887 1 temperature 295 0.1 K 15887 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15887 _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' . . 15887 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15887 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15887 _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' . . 15887 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15887 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15887 _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' . . 15887 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15887 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 15887 _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 15887 _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 . . . 15887 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 15887 _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_U2AF65 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15887 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 15887 _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 15887 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15887 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 15887 _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' . . . 15887 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 . . 15887 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 8.288 0.0018 . 1 . . . . 4 GLU HN . 15887 1 2 . 1 1 11 11 GLU N N 15 121.872 0.013 . 1 . . . . 4 GLU N . 15887 1 3 . 1 1 12 12 SER H H 1 8.242 0.0018 . 1 . . . . 5 SER HN . 15887 1 4 . 1 1 12 12 SER N N 15 116.349 0.013 . 1 . . . . 5 SER N . 15887 1 5 . 1 1 13 13 THR H H 1 8.431 0.0018 . 1 . . . . 6 THR HN . 15887 1 6 . 1 1 13 13 THR N N 15 113.859 0.013 . 1 . . . . 6 THR N . 15887 1 7 . 1 1 14 14 VAL H H 1 8.852 0.0018 . 1 . . . . 7 VAL HN . 15887 1 8 . 1 1 14 14 VAL N N 15 126.902 0.013 . 1 . . . . 7 VAL N . 15887 1 9 . 1 1 15 15 MET H H 1 9.099 0.0018 . 1 . . . . 8 MET HN . 15887 1 10 . 1 1 15 15 MET N N 15 127.888 0.013 . 1 . . . . 8 MET N . 15887 1 11 . 1 1 16 16 VAL H H 1 9.347 0.0018 . 1 . . . . 9 VAL HN . 15887 1 12 . 1 1 16 16 VAL N N 15 124.404 0.013 . 1 . . . . 9 VAL N . 15887 1 13 . 1 1 17 17 LEU H H 1 9.081 0.0018 . 1 . . . . 10 LEU HN . 15887 1 14 . 1 1 17 17 LEU N N 15 126.341 0.013 . 1 . . . . 10 LEU N . 15887 1 15 . 1 1 18 18 ARG H H 1 9.556 0.0018 . 1 . . . . 11 ARG HN . 15887 1 16 . 1 1 18 18 ARG N N 15 124.025 0.013 . 1 . . . . 11 ARG N . 15887 1 17 . 1 1 19 19 ASN H H 1 8.812 0.0018 . 1 . . . . 12 ASN HN . 15887 1 18 . 1 1 19 19 ASN N N 15 116.589 0.013 . 1 . . . . 12 ASN N . 15887 1 19 . 1 1 21 21 VAL H H 1 6.710 0.0018 . 1 . . . . 14 VAL HN . 15887 1 20 . 1 1 21 21 VAL N N 15 105.891 0.013 . 1 . . . . 14 VAL N . 15887 1 21 . 1 1 22 22 ASP H H 1 8.841 0.0018 . 1 . . . . 15 ASP HN . 15887 1 22 . 1 1 22 22 ASP N N 15 125.440 0.013 . 1 . . . . 15 ASP N . 15887 1 23 . 1 1 24 24 LYS H H 1 8.628 0.0018 . 1 . . . . 17 LYS HN . 15887 1 24 . 1 1 24 24 LYS N N 15 115.905 0.013 . 1 . . . . 17 LYS N . 15887 1 25 . 1 1 25 25 ASP H H 1 8.024 0.0018 . 1 . . . . 18 ASP HN . 15887 1 26 . 1 1 25 25 ASP N N 15 118.369 0.013 . 1 . . . . 18 ASP N . 15887 1 27 . 1 1 26 26 ILE H H 1 7.192 0.0018 . 1 . . . . 19 ILE HN . 15887 1 28 . 1 1 26 26 ILE N N 15 119.861 0.013 . 1 . . . . 19 ILE N . 15887 1 29 . 1 1 27 27 ASP H H 1 7.473 0.0018 . 1 . . . . 20 ASP HN . 15887 1 30 . 1 1 27 27 ASP N N 15 127.084 0.013 . 1 . . . . 20 ASP N . 15887 1 31 . 1 1 28 28 ASP H H 1 8.463 0.0018 . 1 . . . . 21 ASP HN . 15887 1 32 . 1 1 28 28 ASP N N 15 117.959 0.013 . 1 . . . . 21 ASP N . 15887 1 33 . 1 1 29 29 ASP H H 1 8.335 0.0018 . 1 . . . . 22 ASP HN . 15887 1 34 . 1 1 29 29 ASP N N 15 119.144 0.013 . 1 . . . . 22 ASP N . 15887 1 35 . 1 1 30 30 LEU H H 1 7.501 0.0018 . 1 . . . . 23 LEU HN . 15887 1 36 . 1 1 30 30 LEU N N 15 123.357 0.013 . 1 . . . . 23 LEU N . 15887 1 37 . 1 1 31 31 GLU H H 1 8.890 0.0018 . 1 . . . . 24 GLU HN . 15887 1 38 . 1 1 31 31 GLU N N 15 118.570 0.013 . 1 . . . . 24 GLU N . 15887 1 39 . 1 1 32 32 GLY H H 1 8.703 0.0018 . 1 . . . . 25 GLY HN . 15887 1 40 . 1 1 32 32 GLY N N 15 110.308 0.013 . 1 . . . . 25 GLY N . 15887 1 41 . 1 1 33 33 GLU H H 1 8.121 0.0018 . 1 . . . . 26 GLU HN . 15887 1 42 . 1 1 33 33 GLU N N 15 122.839 0.013 . 1 . . . . 26 GLU N . 15887 1 43 . 1 1 36 36 GLU H H 1 8.182 0.0018 . 1 . . . . 29 GLU HN . 15887 1 44 . 1 1 36 36 GLU N N 15 122.120 0.013 . 1 . . . . 29 GLU N . 15887 1 45 . 1 1 39 39 GLY H H 1 8.151 0.0018 . 1 . . . . 32 GLY HN . 15887 1 46 . 1 1 39 39 GLY N N 15 106.194 0.013 . 1 . . . . 32 GLY N . 15887 1 47 . 1 1 40 40 LYS H H 1 7.139 0.0018 . 1 . . . . 33 LYS HN . 15887 1 48 . 1 1 40 40 LYS N N 15 118.311 0.013 . 1 . . . . 33 LYS N . 15887 1 49 . 1 1 41 41 PHE H H 1 7.643 0.0018 . 1 . . . . 34 PHE HN . 15887 1 50 . 1 1 41 41 PHE N N 15 116.108 0.013 . 1 . . . . 34 PHE N . 15887 1 51 . 1 1 42 42 GLY H H 1 7.371 0.0018 . 1 . . . . 35 GLY HN . 15887 1 52 . 1 1 42 42 GLY N N 15 104.262 0.013 . 1 . . . . 35 GLY N . 15887 1 53 . 1 1 43 43 ALA H H 1 8.197 0.0018 . 1 . . . . 36 ALA HN . 15887 1 54 . 1 1 43 43 ALA N N 15 122.074 0.013 . 1 . . . . 36 ALA N . 15887 1 55 . 1 1 44 44 VAL H H 1 8.379 0.0018 . 1 . . . . 37 VAL HN . 15887 1 56 . 1 1 44 44 VAL N N 15 124.916 0.013 . 1 . . . . 37 VAL N . 15887 1 57 . 1 1 45 45 ASN H H 1 9.332 0.0018 . 1 . . . . 38 ASN HN . 15887 1 58 . 1 1 45 45 ASN N N 15 128.207 0.013 . 1 . . . . 38 ASN N . 15887 1 59 . 1 1 46 46 ARG H H 1 7.358 0.0018 . 1 . . . . 39 ARG HN . 15887 1 60 . 1 1 46 46 ARG N N 15 114.987 0.013 . 1 . . . . 39 ARG N . 15887 1 61 . 1 1 47 47 VAL H H 1 8.328 0.0018 . 1 . . . . 40 VAL HN . 15887 1 62 . 1 1 47 47 VAL N N 15 122.705 0.013 . 1 . . . . 40 VAL N . 15887 1 63 . 1 1 48 48 ILE H H 1 9.258 0.0018 . 1 . . . . 41 ILE HN . 15887 1 64 . 1 1 48 48 ILE N N 15 126.085 0.013 . 1 . . . . 41 ILE N . 15887 1 65 . 1 1 49 49 ILE H H 1 9.096 0.0018 . 1 . . . . 42 ILE HN . 15887 1 66 . 1 1 49 49 ILE N N 15 128.950 0.013 . 1 . . . . 42 ILE N . 15887 1 67 . 1 1 50 50 TYR H H 1 9.270 0.0018 . 1 . . . . 43 TYR HN . 15887 1 68 . 1 1 50 50 TYR N N 15 131.799 0.013 . 1 . . . . 43 TYR N . 15887 1 69 . 1 1 51 51 GLN H H 1 8.060 0.0018 . 1 . . . . 44 GLN HN . 15887 1 70 . 1 1 51 51 GLN N N 15 126.195 0.013 . 1 . . . . 44 GLN N . 15887 1 71 . 1 1 52 52 GLU H H 1 8.646 0.0018 . 1 . . . . 45 GLU HN . 15887 1 72 . 1 1 52 52 GLU N N 15 123.132 0.013 . 1 . . . . 45 GLU N . 15887 1 73 . 1 1 53 53 LYS H H 1 8.893 0.0018 . 1 . . . . 46 LYS HN . 15887 1 74 . 1 1 53 53 LYS N N 15 130.483 0.013 . 1 . . . . 46 LYS N . 15887 1 75 . 1 1 54 54 GLN H H 1 9.064 0.0018 . 1 . . . . 47 GLN HN . 15887 1 76 . 1 1 54 54 GLN N N 15 124.124 0.013 . 1 . . . . 47 GLN N . 15887 1 77 . 1 1 55 55 GLY H H 1 7.649 0.0018 . 1 . . . . 48 GLY HN . 15887 1 78 . 1 1 55 55 GLY N N 15 108.867 0.013 . 1 . . . . 48 GLY N . 15887 1 79 . 1 1 56 56 GLU H H 1 8.457 0.0018 . 1 . . . . 49 GLU HN . 15887 1 80 . 1 1 56 56 GLU N N 15 117.034 0.013 . 1 . . . . 49 GLU N . 15887 1 81 . 1 1 57 57 GLU H H 1 8.737 0.0018 . 1 . . . . 50 GLU HN . 15887 1 82 . 1 1 57 57 GLU N N 15 120.334 0.013 . 1 . . . . 50 GLU N . 15887 1 83 . 1 1 58 58 GLU H H 1 8.926 0.0018 . 1 . . . . 51 GLU HN . 15887 1 84 . 1 1 58 58 GLU N N 15 122.256 0.013 . 1 . . . . 51 GLU N . 15887 1 85 . 1 1 59 59 ASP H H 1 8.210 0.0018 . 1 . . . . 52 ASP HN . 15887 1 86 . 1 1 59 59 ASP N N 15 116.035 0.013 . 1 . . . . 52 ASP N . 15887 1 87 . 1 1 60 60 ALA H H 1 7.135 0.0018 . 1 . . . . 53 ALA HN . 15887 1 88 . 1 1 60 60 ALA N N 15 122.116 0.013 . 1 . . . . 53 ALA N . 15887 1 89 . 1 1 61 61 GLU H H 1 8.509 0.0018 . 1 . . . . 54 GLU HN . 15887 1 90 . 1 1 61 61 GLU N N 15 121.488 0.013 . 1 . . . . 54 GLU N . 15887 1 91 . 1 1 62 62 ILE H H 1 8.274 0.0018 . 1 . . . . 55 ILE HN . 15887 1 92 . 1 1 62 62 ILE N N 15 123.365 0.013 . 1 . . . . 55 ILE N . 15887 1 93 . 1 1 63 63 ILE H H 1 8.471 0.0018 . 1 . . . . 56 ILE HN . 15887 1 94 . 1 1 63 63 ILE N N 15 123.983 0.013 . 1 . . . . 56 ILE N . 15887 1 95 . 1 1 64 64 VAL H H 1 8.669 0.0018 . 1 . . . . 57 VAL HN . 15887 1 96 . 1 1 64 64 VAL N N 15 123.186 0.013 . 1 . . . . 57 VAL N . 15887 1 97 . 1 1 65 65 LYS H H 1 9.599 0.0018 . 1 . . . . 58 LYS HN . 15887 1 98 . 1 1 65 65 LYS N N 15 130.312 0.013 . 1 . . . . 58 LYS N . 15887 1 99 . 1 1 66 66 ILE H H 1 8.006 0.0018 . 1 . . . . 59 ILE HN . 15887 1 100 . 1 1 66 66 ILE N N 15 121.383 0.013 . 1 . . . . 59 ILE N . 15887 1 101 . 1 1 67 67 PHE H H 1 9.505 0.0018 . 1 . . . . 60 PHE HN . 15887 1 102 . 1 1 67 67 PHE N N 15 126.268 0.013 . 1 . . . . 60 PHE N . 15887 1 103 . 1 1 68 68 VAL H H 1 9.196 0.0018 . 1 . . . . 61 VAL HN . 15887 1 104 . 1 1 68 68 VAL N N 15 122.190 0.013 . 1 . . . . 61 VAL N . 15887 1 105 . 1 1 69 69 GLU H H 1 8.607 0.0018 . 1 . . . . 62 GLU HN . 15887 1 106 . 1 1 69 69 GLU N N 15 127.998 0.013 . 1 . . . . 62 GLU N . 15887 1 107 . 1 1 71 71 SER H H 1 8.633 0.0018 . 1 . . . . 64 SER HN . 15887 1 108 . 1 1 71 71 SER N N 15 116.237 0.013 . 1 . . . . 64 SER N . 15887 1 109 . 1 1 72 72 ILE H H 1 7.917 0.0018 . 1 . . . . 65 ILE HN . 15887 1 110 . 1 1 72 72 ILE N N 15 116.132 0.013 . 1 . . . . 65 ILE N . 15887 1 111 . 1 1 73 73 ALA H H 1 8.826 0.0018 . 1 . . . . 66 ALA HN . 15887 1 112 . 1 1 73 73 ALA N N 15 126.865 0.013 . 1 . . . . 66 ALA N . 15887 1 113 . 1 1 74 74 SER H H 1 8.067 0.0018 . 1 . . . . 67 SER HN . 15887 1 114 . 1 1 74 74 SER N N 15 110.959 0.013 . 1 . . . . 67 SER N . 15887 1 115 . 1 1 75 75 GLU H H 1 7.291 0.0018 . 1 . . . . 68 GLU HN . 15887 1 116 . 1 1 75 75 GLU N N 15 123.868 0.013 . 1 . . . . 68 GLU N . 15887 1 117 . 1 1 76 76 THR H H 1 7.051 0.0018 . 1 . . . . 69 THR HN . 15887 1 118 . 1 1 76 76 THR N N 15 115.195 0.013 . 1 . . . . 69 THR N . 15887 1 119 . 1 1 77 77 HIS H H 1 7.734 0.0018 . 1 . . . . 70 HIS HN . 15887 1 120 . 1 1 77 77 HIS N N 15 116.577 0.013 . 1 . . . . 70 HIS N . 15887 1 121 . 1 1 78 78 LYS H H 1 7.427 0.0018 . 1 . . . . 71 LYS HN . 15887 1 122 . 1 1 78 78 LYS N N 15 120.433 0.013 . 1 . . . . 71 LYS N . 15887 1 123 . 1 1 79 79 ALA H H 1 7.955 0.0018 . 1 . . . . 72 ALA HN . 15887 1 124 . 1 1 79 79 ALA N N 15 122.666 0.013 . 1 . . . . 72 ALA N . 15887 1 125 . 1 1 80 80 ILE H H 1 8.089 0.0018 . 1 . . . . 73 ILE HN . 15887 1 126 . 1 1 80 80 ILE N N 15 118.236 0.013 . 1 . . . . 73 ILE N . 15887 1 127 . 1 1 82 82 ALA H H 1 7.166 0.0018 . 1 . . . . 75 ALA HN . 15887 1 128 . 1 1 82 82 ALA N N 15 118.911 0.013 . 1 . . . . 75 ALA N . 15887 1 129 . 1 1 83 83 LEU H H 1 8.019 0.0018 . 1 . . . . 76 LEU HN . 15887 1 130 . 1 1 83 83 LEU N N 15 116.600 0.013 . 1 . . . . 76 LEU N . 15887 1 131 . 1 1 85 85 GLY H H 1 8.883 0.0018 . 1 . . . . 78 GLY HN . 15887 1 132 . 1 1 85 85 GLY N N 15 116.272 0.013 . 1 . . . . 78 GLY N . 15887 1 133 . 1 1 86 86 ARG H H 1 7.593 0.0018 . 1 . . . . 79 ARG HN . 15887 1 134 . 1 1 86 86 ARG N N 15 121.802 0.013 . 1 . . . . 79 ARG N . 15887 1 135 . 1 1 90 90 GLY H H 1 8.452 0.0018 . 1 . . . . 83 GLY HN . 15887 1 136 . 1 1 90 90 GLY N N 15 102.553 0.013 . 1 . . . . 83 GLY N . 15887 1 137 . 1 1 91 91 ARG H H 1 8.213 0.0018 . 1 . . . . 84 ARG HN . 15887 1 138 . 1 1 91 91 ARG N N 15 120.470 0.013 . 1 . . . . 84 ARG N . 15887 1 139 . 1 1 95 95 ALA H H 1 8.665 0.0018 . 1 . . . . 88 ALA HN . 15887 1 140 . 1 1 95 95 ALA N N 15 130.910 0.013 . 1 . . . . 88 ALA N . 15887 1 141 . 1 1 96 96 GLU H H 1 8.648 0.0018 . 1 . . . . 89 GLU HN . 15887 1 142 . 1 1 96 96 GLU N N 15 118.065 0.013 . 1 . . . . 89 GLU N . 15887 1 143 . 1 1 97 97 VAL H H 1 8.442 0.0018 . 1 . . . . 90 VAL HN . 15887 1 144 . 1 1 97 97 VAL N N 15 121.288 0.013 . 1 . . . . 90 VAL N . 15887 1 145 . 1 1 98 98 TYR H H 1 8.785 0.0018 . 1 . . . . 91 TYR HN . 15887 1 146 . 1 1 98 98 TYR N N 15 129.923 0.013 . 1 . . . . 91 TYR N . 15887 1 147 . 1 1 99 99 ASP H H 1 7.414 0.0018 . 1 . . . . 92 ASP HN . 15887 1 148 . 1 1 99 99 ASP N N 15 127.133 0.013 . 1 . . . . 92 ASP N . 15887 1 149 . 1 1 100 100 GLN H H 1 8.573 0.0018 . 1 . . . . 93 GLN HN . 15887 1 150 . 1 1 100 100 GLN N N 15 129.192 0.013 . 1 . . . . 93 GLN N . 15887 1 151 . 1 1 102 102 ARG H H 1 8.092 0.0018 . 1 . . . . 95 ARG HN . 15887 1 152 . 1 1 102 102 ARG N N 15 118.874 0.013 . 1 . . . . 95 ARG N . 15887 1 153 . 1 1 103 103 PHE H H 1 8.292 0.0018 . 1 . . . . 96 PHE HN . 15887 1 154 . 1 1 103 103 PHE N N 15 120.433 0.013 . 1 . . . . 96 PHE N . 15887 1 155 . 1 1 104 104 ASP H H 1 9.318 0.0018 . 1 . . . . 97 ASP HN . 15887 1 156 . 1 1 104 104 ASP N N 15 122.621 0.013 . 1 . . . . 97 ASP N . 15887 1 157 . 1 1 105 105 ASN H H 1 7.511 0.0018 . 1 . . . . 98 ASN HN . 15887 1 158 . 1 1 105 105 ASN N N 15 117.743 0.013 . 1 . . . . 98 ASN N . 15887 1 159 . 1 1 106 106 SER H H 1 7.983 0.0018 . 1 . . . . 99 SER HN . 15887 1 160 . 1 1 106 106 SER N N 15 112.370 0.013 . 1 . . . . 99 SER N . 15887 1 161 . 1 1 107 107 ASP H H 1 8.314 0.0018 . 1 . . . . 100 ASP HN . 15887 1 162 . 1 1 107 107 ASP N N 15 117.130 0.013 . 1 . . . . 100 ASP N . 15887 1 163 . 1 1 108 108 LEU H H 1 8.315 0.0018 . 1 . . . . 101 LEU HN . 15887 1 164 . 1 1 108 108 LEU N N 15 128.035 0.013 . 1 . . . . 101 LEU N . 15887 1 165 . 1 1 109 109 SER H H 1 7.892 0.0018 . 1 . . . . 102 SER HN . 15887 1 166 . 1 1 109 109 SER N N 15 113.389 0.013 . 1 . . . . 102 SER N . 15887 1 167 . 1 1 110 110 ALA H H 1 7.953 0.0018 . 1 . . . . 103 ALA HN . 15887 1 168 . 1 1 110 110 ALA N N 15 131.617 0.013 . 1 . . . . 103 ALA N . 15887 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 15887 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $minimal_complex_of_Puf60_and_U2AF65 _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} 8.665 0.049 0.049 { ?} 0.000 0 0 0 {?} {88.N} 130.910 0.362 0.362 { ?} 0.000 0 0 0 {?} 1 1.392 13.100 0.000 0 2 {?} {46.HN} 8.893 0.047 0.047 { ?} 0.000 0 0 0 {?} {46.N} 130.483 0.348 0.348 { ?} 0.000 0 0 0 {?} 2 2.396 24.141 0.000 0 2 {?} {91.HN} 8.785 0.057 0.057 { ?} 0.000 0 0 0 {?} {91.N} 129.923 0.356 0.356 { ?} 0.000 0 0 0 {?} 3 2.588 24.348 0.000 0 2 {?} {62.HN} 8.607 0.055 0.055 { ?} 0.000 0 0 0 {?} {62.N} 127.998 0.352 0.352 { ?} 0.000 0 0 0 {?} 4 2.759 28.581 0.000 0 2 {?} {15.HN} 8.841 0.048 0.048 { ?} 0.000 0 0 0 {?} {15.N} 125.440 0.421 0.421 { ?} 0.000 0 0 0 {?} 5 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 {?} 6 1.268 9.291 0.000 0 2 {?} {51.HN} 8.926 0.035 0.035 { ?} 0.000 0 0 0 {?} {51.N} 122.256 0.397 0.397 { ?} 0.000 0 0 0 {?} 7 5.378 44.782 0.000 0 2 {?} {50.HN} 8.737 0.042 0.042 { ?} 0.000 0 0 0 {?} {50.N} 120.334 0.500 0.500 { ?} 0.000 0 0 0 {?} 8 2.121 24.469 0.000 0 2 {?} {12.HN} 8.812 0.043 0.043 { ?} 0.000 0 0 0 {?} {12.N} 116.589 0.429 0.429 { ?} 0.000 0 0 0 {?} 9 2.219 16.682 0.000 0 2 {?} {78.hn} 8.883 0.043 0.043 { ?} 0.000 0 0 0 {?} {78.n} 116.272 0.348 0.348 { ?} 0.000 0 0 0 {?} 10 3.845 33.193 0.000 0 2 {?} {17.hn} 8.628 0.049 0.049 { ?} 0.000 0 0 0 {?} {17.n} 115.905 0.321 0.321 { ?} 0.000 0 0 0 {?} 11 3.065 28.240 0.000 0 2 {?} {25.hn} 8.703 0.054 0.054 { ?} 0.000 0 0 0 {?} {25.n} 110.308 0.371 0.371 { ?} 0.000 0 0 0 {?} 12 2.413 22.934 0.000 0 2 {?} {101.hn} 8.315 0.055 0.055 { ?} 0.000 0 0 0 {?} {101.n} 128.035 0.375 0.375 { ?} 0.000 0 0 0 {?} 13 1.574 7.302 0.000 0 2 {?} {20.hn} 7.473 0.041 0.041 { ?} 0.000 0 0 0 {?} {20.n} 127.084 0.151 0.151 { ?} 0.000 0 0 0 {?} 14 2.886 27.804 0.000 0 2 {?} {44.hn} 8.060 0.043 0.043 { ?} 0.000 0 0 0 {?} {44.n} 126.195 0.429 0.429 { ?} 0.000 0 0 0 {?} 15 3.115 33.742 0.000 0 2 {?} {72.hn} 7.955 0.055 0.055 { ?} 0.000 0 0 0 {?} {72.n} 122.666 0.429 0.429 { ?} 0.000 0 0 0 {?} 16 3.495 33.909 0.000 0 2 {?} {40.hn} 8.328 0.043 0.043 { ?} 0.000 0 0 0 {?} {40.n} 122.705 0.402 0.402 { ?} 0.000 0 0 0 {?} 17 4.489 51.120 0.000 0 2 {?} {53.hn} 7.135 0.061 0.061 { ?} 0.000 0 0 0 {?} {53.n} 122.116 0.455 0.455 { ?} 0.000 0 0 0 {?} 18 1.800 19.848 0.000 0 2 {?} {59.hn} 8.006 0.049 0.049 { ?} 0.000 0 0 0 {?} {59.n} 121.383 0.402 0.402 { ?} 0.000 0 0 0 {?} 19 3.805 34.913 0.000 0 2 {?} {19.hn} 7.192 0.049 0.049 { ?} 0.000 0 0 0 {?} {19.n} 119.861 0.429 0.429 { ?} 0.000 0 0 0 {?} 20 3.430 34.410 0.000 0 2 {?} {75.hn} 7.166 0.047 0.047 { ?} 0.000 0 0 0 {?} {75.n} 118.911 0.414 0.414 { ?} 0.000 0 0 0 {?} 21 3.141 23.964 0.000 0 2 {?} {73.hn} 8.089 0.033 0.033 { ?} 0.000 0 0 0 {?} {73.n} 118.236 0.267 0.267 { ?} 0.000 0 0 0 {?} 22 4.164 46.419 0.000 0 2 {?} {95.hn} 8.092 0.043 0.043 { ?} 0.000 0 0 0 {?} {95.n} 118.874 0.375 0.375 { ?} 0.000 0 0 0 {?} 23 3.194 30.182 0.000 0 2 {?} {98.hn} 7.511 0.044 0.044 { ?} 0.000 0 0 0 {?} {98.n} 117.743 0.372 0.372 { ?} 0.000 0 0 0 {?} 24 3.946 45.103 0.000 0 2 {?} {70.hn} 7.734 0.043 0.043 { ?} 0.000 0 0 0 {?} {70.n} 116.577 0.429 0.429 { ?} 0.000 0 0 0 {?} 25 3.772 26.568 0.000 0 2 {?} {52.hn} 8.210 0.031 0.031 { ?} 0.000 0 0 0 {?} {52.n} 116.035 0.321 0.321 { ?} 0.000 0 0 0 {?} 26 4.290 36.456 0.000 0 2 {?} {5.hn} 8.242 0.035 0.035 { ?} 0.000 0 0 0 {?} {5.n} 116.349 0.443 0.443 { ?} 0.000 0 0 0 {?} 27 2.775 29.011 0.000 0 2 {?} {34.hn} 7.643 0.055 0.055 { ?} 0.000 0 0 0 {?} {34.n} 116.108 0.402 0.402 { ?} 0.000 0 0 0 {?} 28 4.074 35.031 0.000 0 2 {?} {39.hn} 7.358 0.040 0.040 { ?} 0.000 0 0 0 {?} {39.n} 114.987 0.416 0.416 { ?} 0.000 0 0 0 {?} 29 2.921 24.203 0.000 0 2 {?} {102.hn} 7.892 0.044 0.044 { ?} 0.000 0 0 0 {?} {102.n} 113.389 0.372 0.372 { ?} 0.000 0 0 0 {?} 30 3.115 29.050 0.000 0 2 {?} {99.hn} 7.983 0.044 0.044 { ?} 0.000 0 0 0 {?} {99.n} 112.370 0.394 0.394 { ?} 0.000 0 0 0 {?} 31 4.989 47.574 0.000 0 2 {?} {48.hn} 7.649 0.062 0.062 { ?} 0.000 0 0 0 {?} {48.n} 108.867 0.390 0.390 { ?} 0.000 0 0 0 {?} 32 2.626 26.255 0.000 0 2 {?} {32.hn} 8.151 0.059 0.059 { ?} 0.000 0 0 0 {?} {32.n} 106.194 0.406 0.406 { ?} 0.000 0 0 0 {?} 33 1.612 12.852 0.000 0 2 {?} {58.hn} 9.599 0.041 0.041 { ?} 0.000 0 0 0 {?} {58.n} 130.312 0.375 0.375 { ?} 0.000 0 0 0 {?} 34 1.840 13.252 0.000 0 2 {?} {11.hn} 9.556 0.043 0.043 { ?} 0.000 0 0 0 {?} {11.n} 124.025 0.348 0.348 { ?} 0.000 0 0 0 {?} 35 1.783 20.383 0.000 0 2 {?} {60.hn} 9.505 0.043 0.043 { ?} 0.000 0 0 0 {?} {60.n} 126.268 0.415 0.415 { ?} 0.000 0 0 0 {?} 36 2.406 21.313 0.000 0 2 {?} {38.hn} 9.332 0.050 0.050 { ?} 0.000 0 0 0 {?} {38.n} 128.207 0.367 0.367 { ?} 0.000 0 0 0 {?} 37 2.527 25.635 0.000 0 2 {?} {9.hn} 9.347 0.050 0.050 { ?} 0.000 0 0 0 {?} {9.n} 124.404 0.411 0.411 { ?} 0.000 0 0 0 {?} 38 3.206 29.012 0.000 0 2 {?} {97.hn} 9.318 0.050 0.050 { ?} 0.000 0 0 0 {?} {97.n} 122.621 0.384 0.384 { ?} 0.000 0 0 0 {?} 39 2.128 21.988 0.000 0 2 {?} {43.hn} 9.270 0.047 0.047 { ?} 0.000 0 0 0 {?} {43.n} 131.799 0.402 0.402 { ?} 0.000 0 0 0 {?} 40 2.579 26.999 0.000 0 2 {?} {41.hn} 9.258 0.049 0.049 { ?} 0.000 0 0 0 {?} {41.n} 126.085 0.415 0.415 { ?} 0.000 0 0 0 {?} 41 2.524 20.946 0.000 0 2 {?} {61.hn} 9.196 0.046 0.046 { ?} 0.000 0 0 0 {?} {61.n} 122.190 0.375 0.375 { ?} 0.000 0 0 0 {?} 42 2.188 17.602 0.000 0 2 {?} {8.hn} 9.099 0.041 0.041 { ?} 0.000 0 0 0 {?} {8.n} 127.888 0.382 0.382 { ?} 0.000 0 0 0 {?} 43 2.797 23.246 0.000 0 2 {?} {42.hn} 9.096 0.041 0.041 { ?} 0.000 0 0 0 {?} {42.n} 128.950 0.408 0.408 { ?} 0.000 0 0 0 {?} 44 1.711 17.716 0.000 0 2 {?} {10.hn} 9.081 0.061 0.061 { ?} 0.000 0 0 0 {?} {10.n} 126.341 0.321 0.321 { ?} 0.000 0 0 0 {?} 45 3.808 37.187 0.000 0 2 {?} {47.hn} 9.064 0.049 0.049 { ?} 0.000 0 0 0 {?} {47.n} 124.124 0.411 0.411 { ?} 0.000 0 0 0 {?} 46 3.904 36.307 0.000 0 2 {?} {24.hn} 8.890 0.043 0.043 { ?} 0.000 0 0 0 {?} {24.n} 118.570 0.402 0.402 { ?} 0.000 0 0 0 {?} 47 2.552 24.257 0.000 0 2 {?} {7.hn} 8.852 0.041 0.041 { ?} 0.000 0 0 0 {?} {7.n} 126.902 0.403 0.403 { ?} 0.000 0 0 0 {?} 48 2.883 28.622 0.000 0 2 {?} {66.hn} 8.826 0.049 0.049 { ?} 0.000 0 0 0 {?} {66.n} 126.865 0.388 0.388 { ?} 0.000 0 0 0 {?} 49 3.368 30.170 0.000 0 2 {?} {45.hn} 8.646 0.031 0.031 { ?} 0.000 0 0 0 {?} {45.n} 123.132 0.429 0.429 { ?} 0.000 0 0 0 {?} 50 2.504 24.926 0.000 0 2 {?} {64.hn} 8.633 0.049 0.049 { ?} 0.000 0 0 0 {?} {64.n} 116.237 0.348 0.348 { ?} 0.000 0 0 0 {?} 51 2.785 26.555 0.000 0 2 {?} {89.hn} 8.648 0.043 0.043 { ?} 0.000 0 0 0 {?} {89.n} 118.065 0.375 0.375 { ?} 0.000 0 0 0 {?} 52 3.928 36.313 0.000 0 2 {?} {54.hn} 8.509 0.046 0.046 { ?} 0.000 0 0 0 {?} {54.n} 121.488 0.396 0.396 { ?} 0.000 0 0 0 {?} 53 2.423 27.104 0.000 0 2 {?} {56.hn} 8.471 0.043 0.043 { ?} 0.000 0 0 0 {?} {56.n} 123.983 0.402 0.402 { ?} 0.000 0 0 0 {?} 54 1.678 11.145 0.000 0 2 {?} {21.hn} 8.463 0.037 0.037 { ?} 0.000 0 0 0 {?} {21.n} 117.959 0.348 0.348 { ?} 0.000 0 0 0 {?} 55 4.043 37.656 0.000 0 2 {?} {90.hn} 8.442 0.056 0.056 { ?} 0.000 0 0 0 {?} {90.n} 121.288 0.442 0.442 { ?} 0.000 0 0 0 {?} 56 2.665 24.702 0.000 0 2 {?} {6.hn} 8.431 0.049 0.049 { ?} 0.000 0 0 0 {?} {6.n} 113.859 0.350 0.350 { ?} 0.000 0 0 0 {?} 57 3.079 29.974 0.000 0 2 {?} {37.hn} 8.379 0.050 0.050 { ?} 0.000 0 0 0 {?} {37.n} 124.916 0.439 0.439 { ?} 0.000 0 0 0 {?} 58 3.143 29.375 0.000 0 2 {?} {22.hn} 8.335 0.055 0.055 { ?} 0.000 0 0 0 {?} {22.n} 119.144 0.321 0.321 { ?} 0.000 0 0 0 {?} 59 2.617 24.986 0.000 0 2 {?} {55.hn} 8.274 0.061 0.061 { ?} 0.000 0 0 0 {?} {55.n} 123.365 0.348 0.348 { ?} 0.000 0 0 0 {?} 60 2.908 28.247 0.000 0 2 {?} {100.hn} 8.314 0.038 0.038 { ?} 0.000 0 0 0 {?} {100.n} 117.130 0.202 0.202 { ?} 0.000 0 0 0 {?} 61 2.678 29.931 0.000 0 2 {?} {96.hn} 8.292 0.055 0.055 { ?} 0.000 0 0 0 {?} {96.n} 120.433 0.462 0.462 { ?} 0.000 0 0 0 {?} 62 3.195 35.470 0.000 0 2 {?} {4.hn} 8.288 0.049 0.049 { ?} 0.000 0 0 0 {?} {4.n} 121.872 0.411 0.411 { ?} 0.000 0 0 0 {?} 63 3.588 25.195 0.000 0 2 {?} {18.hn} 8.024 0.048 0.048 { ?} 0.000 0 0 0 {?} {18.n} 118.369 0.305 0.305 { ?} 0.000 0 0 0 {?} 64 3.026 21.135 0.000 0 2 {?} {76.hn} 8.019 0.033 0.033 { ?} 0.000 0 0 0 {?} {76.n} 116.600 0.396 0.396 { ?} 0.000 0 0 0 {?} 65 3.435 23.108 0.000 0 2 {?} {65.hn} 7.917 0.037 0.037 { ?} 0.000 0 0 0 {?} {65.n} 116.132 0.375 0.375 { ?} 0.000 0 0 0 {?} 66 3.134 29.972 0.000 0 2 {?} {103.hn} 7.953 0.061 0.061 { ?} 0.000 0 0 0 {?} {103.n} 131.617 0.402 0.402 { ?} 0.000 0 0 0 {?} 67 4.643 48.443 0.000 0 2 {?} {92.hn} 7.414 0.067 0.067 { ?} 0.000 0 0 0 {?} {92.n} 127.133 0.348 0.348 { ?} 0.000 0 0 0 {?} 68 3.325 32.618 0.000 0 2 {?} {23.hn} 7.501 0.057 0.057 { ?} 0.000 0 0 0 {?} {23.n} 123.357 0.428 0.428 { ?} 0.000 0 0 0 {?} 69 3.749 37.815 0.000 0 2 {?} {71.hn} 7.427 0.052 0.052 { ?} 0.000 0 0 0 {?} {71.n} 120.433 0.405 0.405 { ?} 0.000 0 0 0 {?} 70 3.317 29.517 0.000 0 2 {?} {35.hn} 7.371 0.044 0.044 { ?} 0.000 0 0 0 {?} {35.n} 104.262 0.416 0.416 { ?} 0.000 0 0 0 {?} 71 2.815 21.357 0.000 0 2 {?} {69.hn} 7.051 0.040 0.040 { ?} 0.000 0 0 0 {?} {69.n} 115.195 0.372 0.372 { ?} 0.000 0 0 0 {?} 72 1.238 12.080 0.000 0 2 {?} {14.hn} 6.710 0.049 0.049 { ?} 0.000 0 0 0 {?} {14.n} 105.891 0.328 0.328 { ?} 0.000 0 0 0 {?} 73 3.282 46.420 0.000 0 2 {?} {26.hn} 8.121 0.046 0.046 { ?} 0.000 0 0 0 {?} {26.n} 122.839 0.420 0.420 { ?} 0.000 0 0 0 {?} 74 2.545 24.453 0.000 0 2 {?} {68.hn} 7.291 0.049 0.049 { ?} 0.000 0 0 0 {?} {68.n} 123.868 0.375 0.375 { ?} 0.000 0 0 0 {?} 75 3.748 46.020 0.000 0 2 {?} {29.hn} 8.182 0.041 0.041 { ?} 0.000 0 0 0 {?} {29.n} 122.120 0.455 0.455 { ?} 0.000 0 0 0 {?} 76 3.115 33.743 0.000 0 2 {?} {84.hn} 8.213 0.055 0.055 { ?} 0.000 0 0 0 {?} {84.n} 120.470 0.455 0.455 { ?} 0.000 0 0 0 {?} 77 3.528 31.589 0.000 0 2 {?} {79.hn} 7.593 0.050 0.050 { ?} 0.000 0 0 0 {?} {79.n} 121.802 0.369 0.369 { ?} 0.000 0 0 0 {?} 78 2.044 20.285 0.000 0 2 {?} {49.hn} 8.457 0.043 0.043 { ?} 0.000 0 0 0 {?} {49.n} 117.034 0.415 0.415 { ?} 0.000 0 0 0 {?} 79 3.247 26.433 0.000 0 2 {?} {36.hn} 8.197 0.049 0.049 { ?} 0.000 0 0 0 {?} {36.n} 122.074 0.241 0.241 { ?} 0.000 0 0 0 {?} 80 2.830 21.979 0.000 0 2 {?} {33.hn} 7.139 0.040 0.040 { ?} 0.000 0 0 0 {?} {33.n} 118.311 0.394 0.394 { ?} 0.000 0 0 0 {?} 81 2.809 31.358 0.000 0 2 {?} {93.hn} 8.573 0.043 0.043 { ?} 0.000 0 0 0 {?} {93.n} 129.192 0.455 0.455 { ?} 0.000 0 0 0 {?} 82 2.434 24.414 0.000 0 2 {?} {83.hn} 8.452 0.044 0.044 { ?} 0.000 0 0 0 {?} {83.n} 102.553 0.394 0.394 { ?} 0.000 0 0 0 {?} 83 1.282 9.632 0.000 0 2 {?} {67.hn} 8.067 0.040 0.040 { ?} 0.000 0 0 0 {?} {67.n} 110.959 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 . . . 15887 1 3 N 15 N . 1572.33 . . . 15887 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 . . 15887 1 stop_ save_