data_15889 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(194-229) ; _BMRB_accession_number 15889 _BMRB_flat_file_name bmr15889.str _Entry_type original _Submission_date 2008-07-25 _Accession_date 2008-07-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155(194-229)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Corsini Lorenzo . . 2 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-18 update BMRB 'added PubMed ID' 2009-02-13 update BMRB 'add author sequence numbers in entity' 2008-12-03 update BMRB 'complete entry citation' 2008-10-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15885 'backbone assignment of the UHM domain of Puf60' 15887 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with U2AF65(85-112)' 15888 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF1 (1-25)' 15890 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155 (317-357)' 15891 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with Prp16 (201-238)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone assignment of the UHM domain of Puf60 free and bound to five ligands' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636907 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Corsini Lorenzo . . 2 Sattler Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 211 _Page_last 214 _Year 2008 _Details . loop_ _Keyword 'alternative splicing' 'FBP interacting repressor' RRM splicing UHM 'UHM ligand motif, ULM' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'minimal complex of Puf60 and SF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UHM domain of Puf60' $UHM_domain_of_Puf60 SF3b155(194-229) $SF3b155(194-229) stop_ _System_molecular_weight 17003.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'alternative splicing' splicing stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UHM_domain_of_Puf60 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UHM_domain_of_Puf60 _Molecular_mass 12637.1 _Mol_thiol_state 'all free' loop_ _Biological_function 'alternative splicing' splicing stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; MKHHHHHHPMESTVMVLRNM VDPKDIDDDLEGEVTEECGK FGAVNRVIIYQEKQGEEEDA EIIVKIFVEFSIASETHKAI QALNGRWFAGRKVVAEVYDQ ERFDNSDLSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 MET 2 -5 LYS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 HIS 8 1 HIS 9 2 PRO 10 3 MET 11 4 GLU 12 5 SER 13 6 THR 14 7 VAL 15 8 MET 16 9 VAL 17 10 LEU 18 11 ARG 19 12 ASN 20 13 MET 21 14 VAL 22 15 ASP 23 16 PRO 24 17 LYS 25 18 ASP 26 19 ILE 27 20 ASP 28 21 ASP 29 22 ASP 30 23 LEU 31 24 GLU 32 25 GLY 33 26 GLU 34 27 VAL 35 28 THR 36 29 GLU 37 30 GLU 38 31 CYS 39 32 GLY 40 33 LYS 41 34 PHE 42 35 GLY 43 36 ALA 44 37 VAL 45 38 ASN 46 39 ARG 47 40 VAL 48 41 ILE 49 42 ILE 50 43 TYR 51 44 GLN 52 45 GLU 53 46 LYS 54 47 GLN 55 48 GLY 56 49 GLU 57 50 GLU 58 51 GLU 59 52 ASP 60 53 ALA 61 54 GLU 62 55 ILE 63 56 ILE 64 57 VAL 65 58 LYS 66 59 ILE 67 60 PHE 68 61 VAL 69 62 GLU 70 63 PHE 71 64 SER 72 65 ILE 73 66 ALA 74 67 SER 75 68 GLU 76 69 THR 77 70 HIS 78 71 LYS 79 72 ALA 80 73 ILE 81 74 GLN 82 75 ALA 83 76 LEU 84 77 ASN 85 78 GLY 86 79 ARG 87 80 TRP 88 81 PHE 89 82 ALA 90 83 GLY 91 84 ARG 92 85 LYS 93 86 VAL 94 87 VAL 95 88 ALA 96 89 GLU 97 90 VAL 98 91 TYR 99 92 ASP 100 93 GLN 101 94 GLU 102 95 ARG 103 96 PHE 104 97 ASP 105 98 ASN 106 99 SER 107 100 ASP 108 101 LEU 109 102 SER 110 103 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15885 UHM_domain_of_Puf60 92.73 103 99.02 99.02 1.02e-65 BMRB 15887 UHM_domain_of_Puf60 100.00 110 100.00 100.00 5.23e-74 BMRB 15888 UHM_domain_of_Puf60 100.00 110 100.00 100.00 5.23e-74 BMRB 15890 UHM_domain_of_Puf60 100.00 110 100.00 100.00 5.23e-74 BMRB 15891 UHM_domain_of_Puf60 100.00 110 100.00 100.00 5.23e-74 PDB 2DNY "Solution Structure Of The Third Rna Binding Domain Of Fbp- Interacting Repressor, Siahbp1" 90.91 119 100.00 100.00 3.90e-65 PDB 3DXB "Structure Of The Uhm Domain Of Puf60 Fused To Thioredoxin" 91.82 222 100.00 100.00 8.51e-64 DBJ BAE28998 "unnamed protein product [Mus musculus]" 90.91 564 98.00 99.00 5.03e-60 DBJ BAE30474 "unnamed protein product [Mus musculus]" 90.91 547 98.00 99.00 9.66e-60 DBJ BAE40622 "unnamed protein product [Mus musculus]" 90.91 547 98.00 99.00 9.66e-60 DBJ BAF85062 "unnamed protein product [Homo sapiens]" 90.91 559 100.00 100.00 5.18e-61 DBJ BAI46053 "poly-U binding splicing factor 60KDa [synthetic construct]" 90.91 499 100.00 100.00 7.81e-61 EMBL CAG33424 "SIAHBP1 [Homo sapiens]" 90.91 559 100.00 100.00 5.18e-61 EMBL CAH89379 "hypothetical protein [Pongo abelii]" 90.91 513 100.00 100.00 7.64e-61 EMBL CAH93447 "hypothetical protein [Pongo abelii]" 90.91 558 100.00 100.00 4.83e-61 GB AAB41656 "siah binding protein 1 [Homo sapiens]" 90.91 541 100.00 100.00 9.00e-61 GB AAD44358 "RNA-binding protein SiahBP [Rattus norvegicus]" 90.91 565 98.00 99.00 7.37e-60 GB AAF05605 "poly-U binding splicing factor PUF60 [Homo sapiens]" 90.91 556 100.00 100.00 5.69e-61 GB AAF23589 "Ro ribonucleoprotein-binding protein 1 [Homo sapiens]" 90.91 559 100.00 100.00 5.18e-61 GB AAF27522 "FBP-interacting repressor [Homo sapiens]" 90.91 542 100.00 100.00 9.16e-61 REF NP_001039598 "poly(U)-binding-splicing factor PUF60 [Bos taurus]" 90.91 530 98.00 99.00 8.36e-60 REF NP_001127017 "poly(U)-binding-splicing factor PUF60 [Pongo abelii]" 90.91 558 100.00 100.00 4.83e-61 REF NP_001128734 "DKFZP468L0227 protein [Pongo abelii]" 90.91 513 100.00 100.00 7.64e-61 REF NP_001129505 "poly(U)-binding-splicing factor PUF60 isoform c [Homo sapiens]" 90.91 516 100.00 100.00 5.03e-61 REF NP_001158072 "poly(U)-binding-splicing factor PUF60 isoform c [Mus musculus]" 90.91 499 98.00 99.00 8.50e-60 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 8.36e-60 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 5.35e-60 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 4.83e-61 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 5.18e-61 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 5.35e-60 TPG DAA22863 "TPA: poly(U)-binding-splicing factor PUF60 [Bos taurus]" 90.91 530 99.00 100.00 9.09e-61 stop_ save_ save_SF3b155(194-229) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SF3b155(194-229) _Molecular_mass 4366.7 _Mol_thiol_state 'not present' loop_ _Biological_function 'alternative splicing' splicing stop_ _Details . _Residue_count 40 _Mol_residue_sequence ; GAMGSKRKRRWDQTADQTPG ATPKKLSSWDQAETPGHTPS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 SER 6 LYS 7 ARG 8 LYS 9 ARG 10 ARG 11 TRP 12 ASP 13 GLN 14 THR 15 ALA 16 ASP 17 GLN 18 THR 19 PRO 20 GLY 21 ALA 22 THR 23 PRO 24 LYS 25 LYS 26 LEU 27 SER 28 SER 29 TRP 30 ASP 31 GLN 32 ALA 33 GLU 34 THR 35 PRO 36 GLY 37 HIS 38 THR 39 PRO 40 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAB28369 "unnamed protein product [Mus musculus]" 90.00 490 100.00 100.00 3.77e-14 DBJ BAB40140 "pre-mRNA splicing factor SF3b 155 kDa subunit [Mus musculus]" 90.00 1304 100.00 100.00 7.59e-15 DBJ BAE24537 "unnamed protein product [Mus musculus]" 90.00 781 100.00 100.00 1.88e-14 DBJ BAE27592 "unnamed protein product [Mus musculus]" 90.00 497 100.00 100.00 3.70e-14 GB AAC97189 "spliceosomal protein SAP 155 [Homo sapiens]" 90.00 1304 100.00 100.00 7.45e-15 GB AAG01404 "spliceosomal protein SAP155 [Rattus norvegicus]" 90.00 496 100.00 100.00 3.88e-14 GB AAH03419 "Sf3b1 protein, partial [Mus musculus]" 90.00 496 100.00 100.00 3.84e-14 GB AAH15530 "SF3B1 protein, partial [Homo sapiens]" 90.00 496 100.00 100.00 3.84e-14 GB AAH28959 "Sf3b1 protein, partial [Mus musculus]" 90.00 496 100.00 100.00 3.84e-14 REF NP_001179923 "splicing factor 3B subunit 1 [Bos taurus]" 90.00 1304 100.00 100.00 7.38e-15 REF NP_001252892 "splicing factor 3B subunit 1 [Macaca mulatta]" 90.00 1304 100.00 100.00 7.38e-15 REF NP_036565 "splicing factor 3B subunit 1 isoform 1 [Homo sapiens]" 90.00 1304 100.00 100.00 7.38e-15 REF NP_112456 "splicing factor 3B subunit 1 [Mus musculus]" 90.00 1304 100.00 100.00 7.38e-15 REF NP_445878 "splicing factor 3B subunit 1 [Rattus norvegicus]" 90.00 1304 100.00 100.00 7.38e-15 SP O75533 "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" 90.00 1304 100.00 100.00 7.38e-15 SP Q99NB9 "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" 90.00 1304 100.00 100.00 7.59e-15 TPG DAA32571 "TPA: splicing factor 3b, subunit 1, 155kDa [Bos taurus]" 90.00 1304 100.00 100.00 7.38e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UHM_domain_of_Puf60 Human 9606 Eukaryota Metazoa Homo sapiens $SF3b155(194-229) Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $UHM_domain_of_Puf60 'recombinant technology' . Escherichia coli K12 BL21(DE3)pLysS pET9d $SF3b155(194-229) 'recombinant technology' . Escherichia coli K12 BL21(DE3)pLysS pET9d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_minimal_complex_of_Puf60_and_SF3b155(194-229) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UHM_domain_of_Puf60 0.0914 mM '[U-100% 13C; U-100% 15N]' $SF3b155(194-229) 0.422 mM 'natural abundance' NaH2PO4 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' b-mercaptoethanol 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details 'Data collection' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $minimal_complex_of_Puf60_and_SF3b155(194-229) save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 0.01 M pH 6.8 0.1 pH pressure 1 . atm temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 _Saveframe_category assigned_chemical_shifts _Details '1H and 15N chemical shift assignments were transferred from the free UHM domain of Puf60 by titration.' loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $minimal_complex_of_Puf60_and_SF3b155(194-229) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'UHM domain of Puf60' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 11 GLU H H 8.216 0.0018 1 2 4 11 GLU N N 121.258 0.013 1 3 5 12 SER H H 8.200 0.0018 1 4 5 12 SER N N 116.342 0.013 1 5 6 13 THR H H 8.398 0.0018 1 6 6 13 THR N N 113.787 0.013 1 7 7 14 VAL H H 8.898 0.0018 1 8 7 14 VAL N N 125.747 0.013 1 9 8 15 MET H H 9.076 0.0018 1 10 8 15 MET N N 127.761 0.013 1 11 9 16 VAL H H 9.354 0.0018 1 12 9 16 VAL N N 124.447 0.013 1 13 10 17 LEU H H 9.098 0.0018 1 14 10 17 LEU N N 126.286 0.013 1 15 11 18 ARG H H 9.635 0.0018 1 16 11 18 ARG N N 124.066 0.013 1 17 12 19 ASN H H 8.838 0.0018 1 18 12 19 ASN N N 116.548 0.013 1 19 13 20 MET H H 8.503 0.0018 1 20 13 20 MET N N 115.675 0.013 1 21 14 21 VAL H H 6.607 0.0018 1 22 14 21 VAL N N 134.467 0.013 1 23 15 22 ASP H H 8.848 0.0018 1 24 15 22 ASP N N 124.209 0.013 1 25 17 24 LYS H H 8.669 0.0018 1 26 17 24 LYS N N 115.628 0.013 1 27 18 25 ASP H H 8.004 0.0018 1 28 18 25 ASP N N 118.498 0.013 1 29 19 26 ILE H H 7.099 0.0018 1 30 19 26 ILE N N 118.451 0.013 1 31 20 27 ASP H H 7.275 0.0018 1 32 20 27 ASP N N 126.952 0.013 1 33 21 28 ASP H H 8.543 0.0018 1 34 21 28 ASP N N 117.594 0.013 1 35 23 30 LEU H H 7.477 0.0018 1 36 23 30 LEU N N 122.639 0.013 1 37 24 31 GLU H H 9.121 0.0018 1 38 24 31 GLU N N 118.720 0.013 1 39 25 32 GLY H H 8.805 0.0018 1 40 25 32 GLY N N 110.377 0.013 1 41 26 33 GLU H H 8.245 0.0018 1 42 26 33 GLU N N 123.002 0.013 1 43 27 34 VAL H H 8.452 0.0018 1 44 27 34 VAL N N 120.671 0.013 1 45 29 36 GLU H H 8.154 0.0018 1 46 29 36 GLU N N 122.098 0.013 1 47 31 38 CYS H H 8.324 0.0018 1 48 31 38 CYS N N 113.565 0.013 1 49 32 39 GLY H H 8.189 0.0018 1 50 32 39 GLY N N 106.110 0.013 1 51 33 40 LYS H H 7.019 0.0018 1 52 33 40 LYS N N 117.864 0.013 1 53 34 41 PHE H H 7.620 0.0018 1 54 34 41 PHE N N 116.023 0.013 1 55 35 42 GLY H H 7.361 0.0018 1 56 35 42 GLY N N 104.272 0.013 1 57 36 43 ALA H H 8.212 0.0018 1 58 36 43 ALA N N 121.686 0.013 1 59 37 44 VAL H H 8.396 0.0018 1 60 37 44 VAL N N 124.827 0.013 1 61 38 45 ASN H H 9.348 0.0018 1 62 38 45 ASN N N 128.188 0.013 1 63 39 46 ARG H H 7.370 0.0018 1 64 39 46 ARG N N 115.087 0.013 1 65 40 47 VAL H H 8.305 0.0018 1 66 40 47 VAL N N 122.479 0.013 1 67 41 48 ILE H H 9.259 0.0018 1 68 41 48 ILE N N 126.159 0.013 1 69 42 49 ILE H H 9.100 0.0018 1 70 42 49 ILE N N 129.078 0.013 1 71 43 50 TYR H H 9.254 0.0018 1 72 43 50 TYR N N 131.671 0.013 1 73 44 51 GLN H H 8.029 0.0018 1 74 44 51 GLN N N 126.128 0.013 1 75 45 52 GLU H H 8.660 0.0018 1 76 45 52 GLU N N 122.845 0.013 1 77 46 53 LYS H H 8.888 0.0018 1 78 46 53 LYS N N 130.521 0.013 1 79 47 54 GLN H H 9.059 0.0018 1 80 47 54 GLN N N 124.209 0.013 1 81 48 55 GLY H H 7.646 0.0018 1 82 48 55 GLY N N 108.786 0.013 1 83 49 56 GLU H H 8.444 0.0018 1 84 49 56 GLU N N 116.881 0.013 1 85 50 57 GLU H H 8.730 0.0018 1 86 50 57 GLU N N 120.177 0.013 1 87 51 58 GLU H H 8.921 0.0018 1 88 51 58 GLU N N 122.236 0.013 1 89 52 59 ASP H H 8.251 0.0018 1 90 52 59 ASP N N 116.369 0.013 1 91 53 60 ALA H H 7.134 0.0018 1 92 53 60 ALA N N 122.115 0.013 1 93 54 61 GLU H H 8.510 0.0018 1 94 54 61 GLU N N 121.385 0.013 1 95 55 62 ILE H H 8.252 0.0018 1 96 55 62 ILE N N 123.224 0.013 1 97 56 63 ILE H H 8.473 0.0018 1 98 56 63 ILE N N 123.733 0.013 1 99 57 64 VAL H H 8.663 0.0018 1 100 57 64 VAL N N 122.845 0.013 1 101 58 65 LYS H H 9.597 0.0018 1 102 58 65 LYS N N 130.278 0.013 1 103 59 66 ILE H H 7.981 0.0018 1 104 59 66 ILE N N 121.321 0.013 1 105 60 67 PHE H H 9.524 0.0018 1 106 60 67 PHE N N 126.318 0.013 1 107 61 68 VAL H H 9.194 0.0018 1 108 61 68 VAL N N 122.090 0.013 1 109 62 69 GLU H H 8.619 0.0018 1 110 62 69 GLU N N 127.952 0.013 1 111 63 70 PHE H H 8.784 0.0018 1 112 63 70 PHE N N 127.397 0.013 1 113 64 71 SER H H 8.598 0.0018 1 114 64 71 SER N N 115.802 0.013 1 115 65 72 ILE H H 7.812 0.0018 1 116 65 72 ILE N N 116.134 0.013 1 117 66 73 ALA H H 8.828 0.0018 1 118 66 73 ALA N N 126.873 0.013 1 119 67 74 SER H H 8.074 0.0018 1 120 67 74 SER N N 111.281 0.013 1 121 68 75 GLU H H 7.275 0.0018 1 122 68 75 GLU N N 123.987 0.013 1 123 69 76 THR H H 7.052 0.0018 1 124 69 76 THR N N 115.024 0.013 1 125 70 77 HIS H H 7.729 0.0018 1 126 70 77 HIS N N 116.435 0.013 1 127 71 78 LYS H H 7.430 0.0018 1 128 71 78 LYS N N 120.290 0.013 1 129 72 79 ALA H H 7.929 0.0018 1 130 72 79 ALA N N 122.527 0.013 1 131 73 80 ILE H H 8.101 0.0018 1 132 73 80 ILE N N 118.133 0.013 1 133 74 81 GLN H H 7.345 0.0018 1 134 74 81 GLN N N 115.706 0.013 1 135 75 82 ALA H H 7.105 0.0018 1 136 75 82 ALA N N 118.625 0.013 1 137 76 83 LEU H H 8.072 0.0018 1 138 76 83 LEU N N 116.087 0.013 1 139 77 84 ASN H H 8.192 0.0018 1 140 77 84 ASN N N 116.102 0.013 1 141 78 85 GLY H H 8.910 0.0018 1 142 78 85 GLY N N 117.372 0.013 1 143 79 86 ARG H H 7.702 0.0018 1 144 79 86 ARG N N 121.987 0.013 1 145 81 88 PHE H H 9.881 0.0018 1 146 81 88 PHE N N 123.099 0.013 1 147 83 90 GLY H H 8.640 0.0018 1 148 83 90 GLY N N 103.457 0.013 1 149 84 91 ARG H H 8.239 0.0018 1 150 84 91 ARG N N 121.147 0.013 1 151 85 92 LYS H H 8.227 0.0018 1 152 85 92 LYS N N 122.907 0.013 1 153 86 93 VAL H H 8.840 0.0018 1 154 86 93 VAL N N 128.554 0.013 1 155 87 94 VAL H H 8.031 0.0018 1 156 87 94 VAL N N 128.205 0.013 1 157 88 95 ALA H H 8.642 0.0018 1 158 88 95 ALA N N 130.917 0.013 1 159 89 96 GLU H H 8.646 0.0018 1 160 89 96 GLU N N 118.007 0.013 1 161 90 97 VAL H H 8.394 0.0018 1 162 90 97 VAL N N 121.004 0.013 1 163 91 98 TYR H H 8.693 0.0018 1 164 91 98 TYR N N 129.395 0.013 1 165 92 99 ASP H H 7.479 0.0018 1 166 92 99 ASP N N 127.270 0.013 1 167 93 100 GLN H H 8.648 0.0018 1 168 93 100 GLN N N 129.157 0.013 1 169 95 102 ARG H H 8.070 0.0018 1 170 95 102 ARG N N 118.768 0.013 1 171 96 103 PHE H H 8.287 0.0018 1 172 96 103 PHE N N 120.306 0.013 1 173 97 104 ASP H H 9.290 0.0018 1 174 97 104 ASP N N 122.559 0.013 1 175 98 105 ASN H H 7.522 0.0018 1 176 98 105 ASN N N 117.721 0.013 1 177 99 106 SER H H 7.987 0.0018 1 178 99 106 SER N N 112.344 0.013 1 179 100 107 ASP H H 8.287 0.0018 1 180 100 107 ASP N N 117.071 0.013 1 181 101 108 LEU H H 8.291 0.0018 1 182 101 108 LEU N N 128.047 0.013 1 183 102 109 SER H H 7.872 0.0018 1 184 102 109 SER N N 113.375 0.013 1 185 103 110 ALA H H 7.985 0.0018 1 186 103 110 ALA N N 131.631 0.013 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'chemical shifts transferred by titration' loop_ _Software_label $NMRView stop_ _Experiment_label '2D 1H-15N HSQC' _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 3 N N stop_ _Sample_label $minimal_complex_of_Puf60_and_SF3b155(194-229) _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>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 15889 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $minimal_complex_of_Puf60_and_SF3b155(194-229) >> _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} 8.642 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{88.n} 130.917 0.362 0.362 { ?} 0.000 0 0 0 {?} >> 1 1.392 13.100 0.000 0 2 {?} >>{46.hn} 8.888 0.047 0.047 { ?} 0.000 0 0 0 {?} >>{46.n} 130.521 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 2 2.396 24.141 0.000 0 2 {?} >>{91.hn} 8.693 0.057 0.057 { ?} 0.000 0 0 0 {?} >>{91.n} 129.395 0.356 0.356 { ?} 0.000 0 0 0 {?} >> 3 1.909 19.270 0.000 0 2 {?} >>{86.hn} 8.840 0.037 0.037 { ?} 0.000 0 0 0 {?} >>{86.n} 128.554 0.482 0.482 { ?} 0.000 0 0 0 {?} >> 4 2.588 24.348 0.000 0 2 {?} >>{62.hn} 8.619 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{62.n} 127.952 0.352 0.352 { ?} 0.000 0 0 0 {?} >> 5 1.946 18.327 0.000 0 2 {?} >>{63.hn} 8.784 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{63.n} 127.397 0.321 0.321 { ?} 0.000 0 0 0 {?} >> 6 2.759 28.581 0.000 0 2 {?} >>{15.hn} 8.848 0.048 0.048 { ?} 0.000 0 0 0 {?} >>{15.n} 124.209 0.421 0.421 { ?} 0.000 0 0 0 {?} >> 7 4.009 40.182 0.000 0 2 {?} >>{57.hn} 8.663 0.037 0.037 { ?} 0.000 0 0 0 {?} >>{57.n} 122.845 0.482 0.482 { ?} 0.000 0 0 0 {?} >> 8 1.268 9.291 0.000 0 2 {?} >>{51.hn} 8.921 0.035 0.035 { ?} 0.000 0 0 0 {?} >>{51.n} 122.236 0.397 0.397 { ?} 0.000 0 0 0 {?} >> 9 5.378 44.782 0.000 0 2 {?} >>{50.hn} 8.730 0.042 0.042 { ?} 0.000 0 0 0 {?} >>{50.n} 120.177 0.500 0.500 { ?} 0.000 0 0 0 {?} >> 10 3.228 32.857 0.000 0 2 {?} >>{27.hn} 8.452 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{27.n} 120.671 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 11 2.121 24.469 0.000 0 2 {?} >>{12.hn} 8.838 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{12.n} 116.548 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 12 2.029 13.876 0.000 0 2 {?} >>{13.hn} 8.503 0.031 0.031 { ?} 0.000 0 0 0 {?} >>{13.n} 115.675 0.346 0.346 { ?} 0.000 0 0 0 {?} >> 13 2.219 16.682 0.000 0 2 {?} >>{78.hn} 8.910 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{78.n} 117.372 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 14 3.845 33.193 0.000 0 2 {?} >>{17.hn} 8.669 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{17.n} 115.628 0.321 0.321 { ?} 0.000 0 0 0 {?} >> 15 3.065 28.240 0.000 0 2 {?} >>{25.hn} 8.805 0.054 0.054 { ?} 0.000 0 0 0 {?} >>{25.n} 110.377 0.371 0.371 { ?} 0.000 0 0 0 {?} >> 16 2.413 22.934 0.000 0 2 {?} >>{101.hn} 8.291 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{101.n} 128.047 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 17 2.267 21.852 0.000 0 2 {?} >>{87.hn} 8.031 0.061 0.061 { ?} 0.000 0 0 0 {?} >>{87.n} 128.205 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 18 1.574 7.302 0.000 0 2 {?} >>{20.hn} 7.275 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{20.n} 126.952 0.151 0.151 { ?} 0.000 0 0 0 {?} >> 19 2.886 27.804 0.000 0 2 {?} >>{44.hn} 8.029 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{44.n} 126.128 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 20 5.258 36.922 0.000 0 2 {?} >>{85.hn} 8.227 0.037 0.037 { ?} 0.000 0 0 0 {?} >>{85.n} 122.907 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 21 3.115 33.742 0.000 0 2 {?} >>{72.hn} 7.929 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{72.n} 122.527 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 22 3.495 33.909 0.000 0 2 {?} >>{40.hn} 8.305 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{40.n} 122.479 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 23 4.489 51.120 0.000 0 2 {?} >>{53.hn} 7.134 0.061 0.061 { ?} 0.000 0 0 0 {?} >>{53.n} 122.115 0.455 0.455 { ?} 0.000 0 0 0 {?} >> 24 1.800 19.848 0.000 0 2 {?} >>{59.hn} 7.981 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{59.n} 121.321 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 25 3.805 34.913 0.000 0 2 {?} >>{19.hn} 7.099 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{19.n} 118.451 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 26 3.430 34.410 0.000 0 2 {?} >>{75.hn} 7.105 0.047 0.047 { ?} 0.000 0 0 0 {?} >>{75.n} 118.625 0.414 0.414 { ?} 0.000 0 0 0 {?} >> 27 3.141 23.964 0.000 0 2 {?} >>{73.hn} 8.101 0.033 0.033 { ?} 0.000 0 0 0 {?} >>{73.n} 118.133 0.267 0.267 { ?} 0.000 0 0 0 {?} >> 28 4.164 46.419 0.000 0 2 {?} >>{95.hn} 8.070 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{95.n} 118.768 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 29 3.194 30.182 0.000 0 2 {?} >>{98.hn} 7.522 0.044 0.044 { ?} 0.000 0 0 0 {?} >>{98.n} 117.721 0.372 0.372 { ?} 0.000 0 0 0 {?} >> 30 3.946 45.103 0.000 0 2 {?} >>{70.hn} 7.729 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{70.n} 116.435 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} 8.200 0.035 0.035 { ?} 0.000 0 0 0 {?} >>{5.n} 116.342 0.443 0.443 { ?} 0.000 0 0 0 {?} >> 33 2.775 29.011 0.000 0 2 {?} >>{34.hn} 7.620 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{34.n} 116.023 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 34 4.074 35.031 0.000 0 2 {?} >>{39.hn} 7.370 0.040 0.040 { ?} 0.000 0 0 0 {?} >>{39.n} 115.087 0.416 0.416 { ?} 0.000 0 0 0 {?} >> 35 2.921 24.203 0.000 0 2 {?} >>{102.hn} 7.872 0.044 0.044 { ?} 0.000 0 0 0 {?} >>{102.n} 113.375 0.372 0.372 { ?} 0.000 0 0 0 {?} >> 36 3.115 29.050 0.000 0 2 {?} >>{99.hn} 7.987 0.044 0.044 { ?} 0.000 0 0 0 {?} >>{99.n} 112.344 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} 8.189 0.059 0.059 { ?} 0.000 0 0 0 {?} >>{32.n} 106.110 0.406 0.406 { ?} 0.000 0 0 0 {?} >> 39 1.612 12.852 0.000 0 2 {?} >>{58.hn} 9.597 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{58.n} 130.278 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 40 1.840 13.252 0.000 0 2 {?} >>{11.hn} 9.635 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{11.n} 124.066 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 41 1.895 16.929 0.000 0 2 {?} >>{81.hn} 9.881 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{81.n} 123.099 0.388 0.388 { ?} 0.000 0 0 0 {?} >> 42 1.783 20.383 0.000 0 2 {?} >>{60.hn} 9.524 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{60.n} 126.318 0.415 0.415 { ?} 0.000 0 0 0 {?} >> 43 2.406 21.313 0.000 0 2 {?} >>{38.hn} 9.348 0.050 0.050 { ?} 0.000 0 0 0 {?} >>{38.n} 128.188 0.367 0.367 { ?} 0.000 0 0 0 {?} >> 44 2.527 25.635 0.000 0 2 {?} >>{9.hn} 9.354 0.050 0.050 { ?} 0.000 0 0 0 {?} >>{9.n} 124.447 0.411 0.411 { ?} 0.000 0 0 0 {?} >> 45 3.206 29.012 0.000 0 2 {?} >>{97.hn} 9.290 0.050 0.050 { ?} 0.000 0 0 0 {?} >>{97.n} 122.559 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} 9.259 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{41.n} 126.159 0.415 0.415 { ?} 0.000 0 0 0 {?} >> 48 2.524 20.946 0.000 0 2 {?} >>{61.hn} 9.194 0.046 0.046 { ?} 0.000 0 0 0 {?} >>{61.n} 122.090 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 49 2.188 17.602 0.000 0 2 {?} >>{8.hn} 9.076 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{8.n} 127.761 0.382 0.382 { ?} 0.000 0 0 0 {?} >> 50 2.797 23.246 0.000 0 2 {?} >>{42.hn} 9.100 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{42.n} 129.078 0.408 0.408 { ?} 0.000 0 0 0 {?} >> 51 1.711 17.716 0.000 0 2 {?} >>{10.hn} 9.098 0.061 0.061 { ?} 0.000 0 0 0 {?} >>{10.n} 126.286 0.321 0.321 { ?} 0.000 0 0 0 {?} >> 52 3.808 37.187 0.000 0 2 {?} >>{47.hn} 9.059 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{47.n} 124.209 0.411 0.411 { ?} 0.000 0 0 0 {?} >> 53 3.904 36.307 0.000 0 2 {?} >>{24.hn} 9.121 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{24.n} 118.720 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 54 2.552 24.257 0.000 0 2 {?} >>{7.hn} 8.898 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{7.n} 125.747 0.403 0.403 { ?} 0.000 0 0 0 {?} >> 55 2.883 28.622 0.000 0 2 {?} >>{66.hn} 8.828 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{66.n} 126.873 0.388 0.388 { ?} 0.000 0 0 0 {?} >> 56 3.368 30.170 0.000 0 2 {?} >>{45.hn} 8.660 0.031 0.031 { ?} 0.000 0 0 0 {?} >>{45.n} 122.845 0.429 0.429 { ?} 0.000 0 0 0 {?} >> 57 2.504 24.926 0.000 0 2 {?} >>{64.hn} 8.598 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{64.n} 115.802 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 58 2.785 26.555 0.000 0 2 {?} >>{89.hn} 8.646 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{89.n} 118.007 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 59 3.928 36.313 0.000 0 2 {?} >>{54.hn} 8.510 0.046 0.046 { ?} 0.000 0 0 0 {?} >>{54.n} 121.385 0.396 0.396 { ?} 0.000 0 0 0 {?} >> 60 2.833 28.156 0.000 0 2 {?} >>{31.hn} 8.324 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{31.n} 113.565 0.394 0.394 { ?} 0.000 0 0 0 {?} >> 61 2.423 27.104 0.000 0 2 {?} >>{56.hn} 8.473 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{56.n} 123.733 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 62 1.678 11.145 0.000 0 2 {?} >>{21.hn} 8.543 0.037 0.037 { ?} 0.000 0 0 0 {?} >>{21.n} 117.594 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 63 4.043 37.656 0.000 0 2 {?} >>{90.hn} 8.394 0.056 0.056 { ?} 0.000 0 0 0 {?} >>{90.n} 121.004 0.442 0.442 { ?} 0.000 0 0 0 {?} >> 64 2.665 24.702 0.000 0 2 {?} >>{6.hn} 8.398 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{6.n} 113.787 0.350 0.350 { ?} 0.000 0 0 0 {?} >> 65 3.079 29.974 0.000 0 2 {?} >>{37.hn} 8.396 0.050 0.050 { ?} 0.000 0 0 0 {?} >>{37.n} 124.827 0.439 0.439 { ?} 0.000 0 0 0 {?} >> 66 2.481 26.027 0.000 0 2 {?} >>{77.hn} 8.192 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{77.n} 116.102 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 67 2.617 24.986 0.000 0 2 {?} >>{55.hn} 8.252 0.061 0.061 { ?} 0.000 0 0 0 {?} >>{55.n} 123.224 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 68 2.908 28.247 0.000 0 2 {?} >>{100.hn} 8.287 0.038 0.038 { ?} 0.000 0 0 0 {?} >>{100.n} 117.071 0.202 0.202 { ?} 0.000 0 0 0 {?} >> 69 2.678 29.931 0.000 0 2 {?} >>{96.hn} 8.287 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{96.n} 120.306 0.462 0.462 { ?} 0.000 0 0 0 {?} >> 70 3.195 35.470 0.000 0 2 {?} >>{4.hn} 8.216 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{4.n} 121.258 0.411 0.411 { ?} 0.000 0 0 0 {?} >> 71 3.588 25.195 0.000 0 2 {?} >>{18.hn} 8.004 0.048 0.048 { ?} 0.000 0 0 0 {?} >>{18.n} 118.498 0.305 0.305 { ?} 0.000 0 0 0 {?} >> 72 3.026 21.135 0.000 0 2 {?} >>{76.hn} 8.072 0.033 0.033 { ?} 0.000 0 0 0 {?} >>{76.n} 116.087 0.396 0.396 { ?} 0.000 0 0 0 {?} >> 73 3.435 23.108 0.000 0 2 {?} >>{65.hn} 7.812 0.037 0.037 { ?} 0.000 0 0 0 {?} >>{65.n} 116.134 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 74 3.134 29.972 0.000 0 2 {?} >>{103.hn} 7.985 0.061 0.061 { ?} 0.000 0 0 0 {?} >>{103.n} 131.631 0.402 0.402 { ?} 0.000 0 0 0 {?} >> 75 3.354 32.629 0.000 0 2 {?} >>{74.hn} 7.345 0.044 0.044 { ?} 0.000 0 0 0 {?} >>{74.n} 115.706 0.406 0.406 { ?} 0.000 0 0 0 {?} >> 76 4.643 48.443 0.000 0 2 {?} >>{92.hn} 7.479 0.067 0.067 { ?} 0.000 0 0 0 {?} >>{92.n} 127.270 0.348 0.348 { ?} 0.000 0 0 0 {?} >> 77 3.325 32.618 0.000 0 2 {?} >>{23.hn} 7.477 0.057 0.057 { ?} 0.000 0 0 0 {?} >>{23.n} 122.639 0.428 0.428 { ?} 0.000 0 0 0 {?} >> 78 3.749 37.815 0.000 0 2 {?} >>{71.hn} 7.430 0.052 0.052 { ?} 0.000 0 0 0 {?} >>{71.n} 120.290 0.405 0.405 { ?} 0.000 0 0 0 {?} >> 79 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 {?} >> 80 2.815 21.357 0.000 0 2 {?} >>{69.hn} 7.052 0.040 0.040 { ?} 0.000 0 0 0 {?} >>{69.n} 115.024 0.372 0.372 { ?} 0.000 0 0 0 {?} >> 81 1.238 12.080 0.000 0 2 {?} >>{14.hn} 6.607 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{14.n} 103.441 0.328 0.328 { ?} 0.000 0 0 0 {?} >> 82 3.282 46.420 0.000 0 2 {?} >>{26.hn} 8.245 0.046 0.046 { ?} 0.000 0 0 0 {?} >>{26.n} 123.002 0.420 0.420 { ?} 0.000 0 0 0 {?} >> 83 2.545 24.453 0.000 0 2 {?} >>{68.hn} 7.275 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{68.n} 123.987 0.375 0.375 { ?} 0.000 0 0 0 {?} >> 84 3.748 46.020 0.000 0 2 {?} >>{29.hn} 8.154 0.041 0.041 { ?} 0.000 0 0 0 {?} >>{29.n} 122.098 0.455 0.455 { ?} 0.000 0 0 0 {?} >> 85 3.115 33.743 0.000 0 2 {?} >>{84.hn} 8.239 0.055 0.055 { ?} 0.000 0 0 0 {?} >>{84.n} 121.147 0.455 0.455 { ?} 0.000 0 0 0 {?} >> 86 3.528 31.589 0.000 0 2 {?} >>{79.hn} 7.702 0.050 0.050 { ?} 0.000 0 0 0 {?} >>{79.n} 121.987 0.369 0.369 { ?} 0.000 0 0 0 {?} >> 87 2.044 20.285 0.000 0 2 {?} >>{49.hn} 8.444 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{49.n} 116.881 0.415 0.415 { ?} 0.000 0 0 0 {?} >> 88 3.247 26.433 0.000 0 2 {?} >>{36.hn} 8.212 0.049 0.049 { ?} 0.000 0 0 0 {?} >>{36.n} 121.686 0.241 0.241 { ?} 0.000 0 0 0 {?} >> 89 2.830 21.979 0.000 0 2 {?} >>{33.hn} 7.019 0.040 0.040 { ?} 0.000 0 0 0 {?} >>{33.n} 117.864 0.394 0.394 { ?} 0.000 0 0 0 {?} >> 90 2.809 31.358 0.000 0 2 {?} >>{93.hn} 8.648 0.043 0.043 { ?} 0.000 0 0 0 {?} >>{93.n} 129.157 0.455 0.455 { ?} 0.000 0 0 0 {?} >> 91 2.434 24.414 0.000 0 2 {?} >>{83.hn} 8.640 0.044 0.044 { ?} 0.000 0 0 0 {?} >>{83.n} 103.457 0.394 0.394 { ?} 0.000 0 0 0 {?} >> 92 1.282 9.632 0.000 0 2 {?} >>{67.hn} 8.074 0.040 0.040 { ?} 0.000 0 0 0 {?} >>{67.n} 111.281 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_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 3255.21 . . . 15889 1 >> 3 N 15 N . 1572.33 . . . 15889 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 . . 15889 1 >> >> stop_ >> >>save_ >> ; save_