data_16580 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in Ribonuclease T1 from Aspergillus oryzae ; _BMRB_accession_number 16580 _BMRB_flat_file_name bmr16580.str _Entry_type original _Submission_date 2009-10-25 _Accession_date 2009-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Jurgen M. . 2 Lohr Frank . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 10 stop_ loop_ _Data_type _Data_type_count "coupling constants" 824 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 133 '1H chemical shift assignments for Ribonuclease T1' 15905 '1J coupling constants related to the Ca carbons in Ribonuclease T1' 16469 '3J coupling constants related to the phi-torsions in Ribonuclease T1' 16579 '2J coupling constants in oxidised Flavodxin' 1658 '15N chemical shift assignments for Ribonuclease T1' 16581 '2J coupling constants in Frataxin C-terminal domain' 16582 '2J coupling constants in human Ubiquitin' 16583 '2J coupling constants in Xylanase' 16584 '2J coupling constants in DFPase' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Correlation of (2)J couplings with protein secondary structure.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20131375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Jurgen M. . 2 Hua Yixun . . 3 Lohr Frank . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 78 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1544 _Page_last 1562 _Year 2010 _Details . loop_ _Keyword 'data mining' statistics 'torsion angles' 'two-bond coupling' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Vuister_&_Bax_1992 _Saveframe_category citation _Citation_full . _Citation_title ; Measurement of two-bond JCOHa coupling constants in proteins uniformly enriched with 13C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1511238 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vuister G. W. . 2 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 2 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 401 _Page_last 405 _Year 1992 _Details . loop_ _Keyword '2JHACO measurement' stop_ save_ save_Lohr_&_Ruterjans_1995 _Saveframe_category citation _Citation_full . _Citation_title '(H)NCAHA and (H)CANNH experiments for the determination of the vicinal coupling constants related to the phi-torsion angle.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7881271 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lohr F. . . 2 Ruterjans H. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 25 _Page_last 36 _Year 1995 _Details . loop_ _Keyword '2JCOHN measurement' stop_ save_ save_Wang_&_Bax_1996 _Saveframe_category citation _Citation_full . _Citation_title ; Determination of the backbone dihedral angle in human ubiquitin from reparametrized empirical Karplus equations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang A. C. . 2 Bax A. . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full . _Journal_volume 118 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 2483 _Page_last 2494 _Year 1996 _Details . loop_ _Keyword '2JN_CB measurement' stop_ save_ save_Salzmann_et_al_1999 _Saveframe_category citation _Citation_full . _Citation_title '[13C]-constant-time [15N,1H]-TROSY-HNCA for sequential assignment of large proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Salzmann M. . . 2 Pervushin K. . . 3 Wider G. . . 4 Senn H. . . 5 Wuthrich K. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 14 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 85 _Page_last 88 _Year 1999 _Details . loop_ _Keyword '2JCOCA measurement;' '2JCOHN measurement;' '2JN_CO measurement;' 'TROSY method' stop_ save_ save_Permi_&_Annila_2000 _Saveframe_category citation _Citation_full . _Citation_title 'Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10805128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Permi P. . . 2 Annila A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 16 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 221 _Page_last 227 _Year 2000 _Details . loop_ _Keyword '2JCAN_ measurement' '2JCOHN measurement' '2JHNCA measurement' 'IPAP method' stop_ save_ save_Permi_2003 _Saveframe_category citation _Citation_full . _Citation_title 'Measurement of residual dipolar couplings from 1Halpha to 13Calpha and 15N using a simple HNCA-based experiment' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14512731 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Permi P. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 27 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 341 _Page_last 349 _Year 2003 _Details . loop_ _Keyword '2JN_HA measurement' stop_ save_ save_Kazimierczuk_et_al_2008 _Saveframe_category citation _Citation_full . _Citation_title ; Determination of spin-spin couplings from ultrahigh resolution 3D NMR spectra obtained by optimized random sampling and multidimensional Fourier transformation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18376830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kazimierczuk K. . . 2 Zawadzka A. . . 3 Kozminski W. . . 4 Zhukov I. . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full . _Journal_volume 130 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 5404 _Page_last 5405 _Year 2008 _Details . loop_ _Keyword '2JCAN_ measurement' '2JCOCA measurement' '2JHNCA measurement' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ribonuclease T1' _Enzyme_commission_number 3.1.27.3 loop_ _Mol_system_component_name _Mol_label protein $RNase_T1 stop_ _System_molecular_weight 11089.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'guanine-specific ssRNA cleavage' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNase_T1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNase_T1 _Molecular_mass 11089.3 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'guanine-specific ssRNA cleavage' stop_ _Details 'Lys25 isoenzyme' ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; ACDYTCGSNCYSSSDVSTAQ AAGYKLHEDGETVGSNSYPH KYNNYEGFDFSVSSPYYEWP ILSSGDVYSGGSPGADRVVF NENNQLAGVITHTGASGNNF VECT ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 CYS 3 ASP 4 TYR 5 THR 6 CYS 7 GLY 8 SER 9 ASN 10 CYS 11 TYR 12 SER 13 SER 14 SER 15 ASP 16 VAL 17 SER 18 THR 19 ALA 20 GLN 21 ALA 22 ALA 23 GLY 24 TYR 25 LYS 26 LEU 27 HIS 28 GLU 29 ASP 30 GLY 31 GLU 32 THR 33 VAL 34 GLY 35 SER 36 ASN 37 SER 38 TYR 39 PRO 40 HIS 41 LYS 42 TYR 43 ASN 44 ASN 45 TYR 46 GLU 47 GLY 48 PHE 49 ASP 50 PHE 51 SER 52 VAL 53 SER 54 SER 55 PRO 56 TYR 57 TYR 58 GLU 59 TRP 60 PRO 61 ILE 62 LEU 63 SER 64 SER 65 GLY 66 ASP 67 VAL 68 TYR 69 SER 70 GLY 71 GLY 72 SER 73 PRO 74 GLY 75 ALA 76 ASP 77 ARG 78 VAL 79 VAL 80 PHE 81 ASN 82 GLU 83 ASN 84 ASN 85 GLN 86 LEU 87 ALA 88 GLY 89 VAL 90 ILE 91 THR 92 HIS 93 THR 94 GLY 95 ALA 96 SER 97 GLY 98 ASN 99 ASN 100 PHE 101 VAL 102 GLU 103 CYS 104 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 15905 RNase_T1 100.00 104 100.00 100.00 3.21e-68 BMRB 16469 RNase_T1 100.00 104 100.00 100.00 3.21e-68 BMRB 1658 "ribonuclease T1" 100.00 104 100.00 100.00 3.21e-68 PDB 1B2M "Three-Dimensional Structure Of Ribonulcease T1 Complexed With An Isosteric Phosphonate Analogue Of Gpu: Alternate Substrate Bin" 100.00 104 99.04 100.00 1.09e-67 PDB 1BIR "Ribonuclease T1, Phe 100 To Ala Mutant Complexed With 2' Gmp" 100.00 104 99.04 99.04 4.50e-67 PDB 1BU4 "Ribonuclease 1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 1BVI "Ribonuclease T1 (Wildtype) Complexed With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 1DET "Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" 100.00 104 98.08 99.04 1.02e-66 PDB 1FYS "Ribonuclease T1 V16c Mutant" 100.00 104 99.04 99.04 3.17e-67 PDB 1FZU "Rnase T1 V78a Mutant" 100.00 104 99.04 99.04 1.21e-67 PDB 1G02 "Ribonuclease T1 V16s Mutant" 100.00 104 99.04 99.04 2.55e-67 PDB 1GSP "Ribonuclease T1 Complexed With 2',3'-Cgps, 1 Day" 100.00 104 100.00 100.00 3.21e-68 PDB 1HYF "Ribonuclease T1 V16a Mutant In Complex With Sr2+" 100.00 104 99.04 99.04 1.21e-67 PDB 1HZ1 "Ribonuclease T1 V16a Mutant In Complex With Mg2+" 100.00 104 99.04 99.04 1.21e-67 PDB 1I0V "Ribonuclease T1 In Complex With 2'gmp (Form I Crystal)" 100.00 104 100.00 100.00 3.21e-68 PDB 1I0X "Ribonuclease T1 In Complex With 2'gmp (Form Ii Crystal)" 100.00 104 100.00 100.00 3.21e-68 PDB 1I2E "Ribonuclease T1 V16a Mutant, Form I" 100.00 104 99.04 99.04 1.21e-67 PDB 1I2F "Ribonuclease T1 V16a Mutant, Form Ii" 100.00 104 99.04 99.04 1.21e-67 PDB 1I2G "Ribonuclease T1 V16t Mutant" 100.00 104 99.04 99.04 1.24e-67 PDB 1I3F "Ribonuclease T1 V89s Mutant" 100.00 104 99.04 99.04 2.55e-67 PDB 1I3I "Ribonuclease T1 V78t Mutant" 100.00 104 99.04 99.04 1.24e-67 PDB 1IYY "Nmr Structure Of Gln25-Ribonuclease T1, 24 Structures" 100.00 104 99.04 100.00 1.09e-67 PDB 1LOV "X-ray Structure Of The E58a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" 100.00 104 99.04 99.04 2.05e-67 PDB 1LOW "X-ray Structure Of The H40a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" 100.00 104 99.04 99.04 5.47e-67 PDB 1LOY "X-Ray Structure Of The H40aE58A MUTANT OF RIBONUCLEASE T1 Complexed With 3'-Guanosine Monophosphate" 100.00 104 98.08 98.08 3.07e-66 PDB 1LRA "Crystallographic Study Of Glu 58 Ala Rnase T1(Asterisk)2'-Guanosine Monophosphate At 1.9 Angstroms Resolution" 100.00 104 99.04 99.04 2.05e-67 PDB 1RGA "Crystal Structure Of Rnase T1 With 3'-Gmp And Guanosine: A Product Complex" 100.00 104 100.00 100.00 3.21e-68 PDB 1RGC "The Complex Between Ribonuclease T1 And 3'-guanylic Acid Suggests Geometry Of Enzymatic Reaction Path. An X-ray Study" 100.00 104 100.00 100.00 3.21e-68 PDB 1RGK "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" 100.00 104 99.04 100.00 7.85e-68 PDB 1RGL "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" 100.00 104 99.04 100.00 7.85e-68 PDB 1RHL "Ribonuclease T1 Complexed With 2'gmpG23A MUTANT" 100.00 104 99.04 99.04 1.56e-67 PDB 1RLS "Crystal Structure Of Rnase T1 Complexed With The Product Nucleotide 3'-Gmp. Structural Evidence For Direct Interaction Of Histi" 100.00 104 99.04 100.00 1.09e-67 PDB 1RN1 "Three-Dimensional Structure Of Gln 25-Ribonuclease T1 At 1.84 Angstroms Resolution: Structural Variations At The Base Recogniti" 100.00 104 99.04 100.00 1.09e-67 PDB 1RN4 "His92ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" 100.00 104 99.04 99.04 5.47e-67 PDB 1RNT "Restrained Least-Squares Refinement Of The Crystal Structure Of The Ribonuclease T1(Asterisk)2(Prime)- Guanylic Acid Complex At" 100.00 104 100.00 100.00 3.21e-68 PDB 1TRP "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" 100.00 104 98.08 100.00 3.13e-66 PDB 1TRQ "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" 100.00 104 99.04 100.00 4.35e-67 PDB 1YGW "Nmr Structure Of Ribonuclease T1, 34 Structures" 99.04 104 100.00 100.00 1.56e-67 PDB 2AAD "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" 100.00 104 99.04 99.04 3.58e-67 PDB 2AAE "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" 100.00 104 99.04 99.04 3.58e-67 PDB 2BIR "Additivity Of Substrate Binding In Ribonuclease T1 (Y42a Mutant)" 100.00 104 98.08 98.08 3.13e-66 PDB 2BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 2GSP "Ribonuclease T12',3'-Cgps And 3'-Gmp, 2 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 2HOH "Ribonuclease T1 (n9a Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 2.47e-67 PDB 2RNT "Three-Dimensional Structure Of Ribonuclease T1 Complexed With Guanylyl-2(Prime),5(Prime)-Guanosine At 1.8 Angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 PDB 3BIR "Disecting Histidine Interactions In Ribonuclease T1 By Asn And Gln Substitutions" 100.00 104 99.04 100.00 3.21e-67 PDB 3BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 3GSP "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 4 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 3HOH "Ribonuclease T1 (Thr93gln Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 1.67e-67 PDB 3RNT "Crystal Structure Of Guanosine-Free Ribonuclease T1, Complexed With Vanadate(V), Suggests Conformational Change Upon Substrate " 100.00 104 100.00 100.00 3.21e-68 PDB 3SYU "Re-Refined Coordinates For Pdb Entry 1det - Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" 100.00 104 98.08 99.04 1.02e-66 PDB 3URP "Re-refinement Of Pdb Entry 5rnt - Ribonuclease T1 With Guanosine-3', 5'-diphosphate And Phosphate Ion Bound" 100.00 104 100.00 100.00 3.21e-68 PDB 4BIR "Ribonuclease T1: Free His92gln Mutant" 100.00 104 99.04 99.04 2.42e-67 PDB 4BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 4GSP "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 7 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 4HOH "Ribonuclease T1 (Thr93ala Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 1.54e-67 PDB 4RNT "His 92 Ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" 100.00 104 99.04 99.04 5.47e-67 PDB 5BIR "Disecting Histidine Interactions In Ribonuclease T1 Using Asn And Gln Mutations" 100.00 104 99.04 99.04 2.42e-67 PDB 5BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 5GSP "Ribonuclease T13'-Gmp, 9 Weeks" 100.00 104 100.00 100.00 3.21e-68 PDB 5HOH "Ribonuclease T1 (Asn9alaTHR93ALA DOUBLEMUTANT) COMPLEXED With 2'gmp" 100.00 104 98.08 98.08 1.16e-66 PDB 5RNT "X-Ray Analysis Of Cubic Crystals Of The Complex Formed Between Ribonuclease T1 And Guanosine-3',5'-Bisphosphate" 100.00 104 100.00 100.00 3.21e-68 PDB 6GSP "Ribonuclease T1/3'-gmp, 15 Weeks" 100.00 104 100.00 100.00 3.21e-68 PDB 6RNT "Crystal Structure Of Ribonuclease T1 Complexed With Adenosine 2'-monophosphate At 1.8-angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 PDB 7GSP "Ribonuclease T12',3'-Cgps, Non-Productive" 100.00 104 100.00 100.00 3.21e-68 PDB 7RNT "Crystal Structure Of The Tyr45trp Mutant Of Ribonuclease T1 In A Complex With 2'-Adenylic Acid" 100.00 104 99.04 100.00 1.34e-67 PDB 8RNT "Structure Of Ribonuclease T1 Complexed With Zinc(Ii) At 1.8 Angstroms Resolution: A Zn2+.6h2o.Carboxylate Clathrate" 100.00 104 100.00 100.00 3.21e-68 PDB 9RNT "Ribonuclease T1 With Free Recognition And Catalytic Site: Crystal Structure Analysis At 1.5 Angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 DBJ BAA05707 "ribonuclease T1 [Aspergillus oryzae]" 100.00 130 99.04 100.00 1.65e-68 DBJ BAA08407 "ribonuclease T1 [Aspergillus oryzae]" 100.00 130 99.04 100.00 1.65e-68 DBJ BAE64671 "unnamed protein product [Aspergillus oryzae RIB40]" 100.00 130 99.04 100.00 1.65e-68 EMBL CAA30560 "unnamed protein product [Aspergillus oryzae]" 100.00 104 100.00 100.00 3.21e-68 GB AAA72541 "RNase T1 [synthetic construct]" 100.00 105 99.04 100.00 1.14e-67 GB AAA72994 "fusion gene containing ompA-signal peptide/RNase T1 [synthetic construct]" 100.00 125 100.00 100.00 2.89e-69 GB EED52238 "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" 100.00 130 99.04 100.00 1.65e-68 GB EIT74451 "guanyl-specific ribonuclease T1 [Aspergillus oryzae 3.042]" 100.00 130 99.04 100.00 1.65e-68 GB KDE77875 "guanyl-specific ribonuclease T1 [Aspergillus oryzae 100-8]" 100.00 130 99.04 100.00 1.65e-68 REF XP_001825804 "guanyl-specific ribonuclease T1 [Aspergillus oryzae RIB40]" 100.00 130 99.04 100.00 1.65e-68 REF XP_002377402 "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" 100.00 130 99.04 100.00 1.65e-68 SP P00651 "RecName: Full=Guanyl-specific ribonuclease T1; Short=RNase T1; Flags: Precursor" 100.00 130 99.04 100.00 1.65e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNase_T1 'Aspergillus oryzae' 5062 Eukaryota Fungi Aspergillus oryzae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RNase_T1 'recombinant technology' . Escherichia coli DH5alpha pA2T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_T1 2 mM '[U-95% 13C; U-95% 15N]' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_T1 2 mM '[U-95% 13C; U-95% 15N]' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_jeval _Saveframe_category software _Name jeval _Version . loop_ _Vendor _Address _Electronic_address 'JM Schmidt' 'Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom' j.m.schmidt@kent.ac.uk stop_ loop_ _Task 'coupling constant extraction' 'data analysis' 'multiplet simulation' stop_ _Details 'Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details '1H{13C,15N}-triple-resonance three-axis PFG probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details '1H{13C,15N}-triple-resonance three-axis PFG probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'room-temperature and cryogenic triple-resonance z-gradient probes' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'cryogenic triple-resonance z-gradient probe' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'cryogenic triple-resonance z-gradient probe' save_ save_spectrometer_6 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details 'cryogenic triple-resonance z-gradient probe' save_ ############################# # NMR applied experiments # ############################# save_3D_Ca-coupled_[15N,1H]-TROSY-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ca-coupled [15N,1H]-TROSY-HNCO' _Sample_label $sample_1 save_ save_2D_IPAP-type_HN(CO-a/b-NCa-J)-TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _Sample_label $sample_1 save_ save_2D_IPAP-type_HN(a/b-NCO-J)-TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _Sample_label $sample_1 save_ save_3D_Ha-coupled_ct-[15N,1H]-TROSY-iHNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' _Sample_label $sample_1 save_ save_3D_Cb-coupled_[15N,1H]-TROSY-HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_Ha-coupled_[15N,1H]-TROSY-H(N)COCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-H(N)COCA' _Sample_label $sample_1 save_ save_3D_Cb-coupled_[15N,1H]-TROSY-H(N)COCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-H(N)COCA' _Sample_label $sample_1 save_ save_2D_Cb-coupled_[13C,1H]-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cb-coupled [13C,1H]-HSQC' _Sample_label $sample_2 save_ save_2D_CO-coupled_ct-[13C,1H]-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CO-coupled ct-[13C,1H]-HSQC' _Sample_label $sample_2 save_ save_3D_CO-coupled_ct-[15N,1H]-TROSY-HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO-coupled ct-[15N,1H]-TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_CO-coupled_(H)CANNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO-coupled (H)CANNH' _Sample_label $sample_1 save_ save_3D_Ca-coupled_(15N_1H)-TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ca-coupled [15N,1H]-TROSY-HNCO' _BMRB_pulse_sequence_accession_number . _Details ; Kazimierczuk et al., 2008; 2JCAN_ and 2JHNCA and 2JCOCA measurement; high-resolution, 100-ms 13C and 160-ms 15N evolution ; save_ save_2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _BMRB_pulse_sequence_accession_number . _Details ; Permi and Annila, 2000 2JCAN_ and 2JHNCA measurement ; save_ save_2D_IPAP-type_HN(a_b-NCO-J)-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _BMRB_pulse_sequence_accession_number . _Details ; Permi and Annila, 2000; 2JCOHN measurement; 250-ms 15N evolution ; save_ save_3D_Ha-coupled_ct-(15N_1H)-TROSY-iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' _BMRB_pulse_sequence_accession_number . _Details ; Permi, 2003; 2JN_HA measurement ; save_ save_3D_Cb-coupled_(15N_1H)-TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details ; Wang & Bax, 1996 2JN_CB measurement ; save_ save_3D_Ha-coupled_(15N_1H)-TROSY-H(N)COCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-H(N)COCA' _BMRB_pulse_sequence_accession_number . _Details ; Lohr & Schmidt, unpublished; 2JHACO measurement ; save_ save_3D_Cb-coupled_(15N_1H)-TROSY-H(N)COCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-H(N)COCA' _BMRB_pulse_sequence_accession_number . _Details ; Lohr & Schmidt, unpublished; 2JCBCO measurement ; save_ save_2D_Cb-coupled_(13C_1H)-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cb-coupled [13C,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details '2JHaCb measurement' save_ save_2D_CO-coupled_ct-(13C_1H)-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D CO-coupled ct-[13C,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details ; Vuister & Bax, 1992; 2JHaCO measurement ; save_ save_3D_CO-coupled_ct-(15N_1H)-TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO-coupled ct-[15N,1H]-TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details ; Salzmann et al.,1999 Lohr & Schmidt, unpublished 2JN_CO and 2JCOHN and 2JCOCA measurement; high-resolution 28-ms 13C and 95-ms 15N evolution ; save_ save_3D_CO-coupled_(H)CANNH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO-coupled (H)CANNH' _BMRB_pulse_sequence_accession_number . _Details ; Lohr & Ruterjans, 1995; 2JCOHN measurement ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ ######################## # Coupling constants # ######################## save_2JCaN_ _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ca-coupled [15N,1H]-TROSY-HNCO' '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCAN_ 1 ALA CA 2 CYS N -8.26 . . 0.50 2 2JCAN_ 2 CYS CA 3 ASP N -7.71 . . 0.50 3 2JCAN_ 3 ASP CA 4 TYR N -6.43 . . 0.50 4 2JCAN_ 4 TYR CA 5 THR N -8.88 . . 0.50 5 2JCAN_ 5 THR CA 6 CYS N -7.69 . . 0.50 6 2JCAN_ 6 CYS CA 7 GLY N -7.95 . . 0.50 7 2JCAN_ 7 GLY CA 8 SER N -8.51 . . 0.50 8 2JCAN_ 8 SER CA 9 ASN N -5.75 . . 0.50 9 2JCAN_ 9 ASN CA 10 CYS N -9.68 . . 0.50 10 2JCAN_ 10 CYS CA 11 TYR N -8.32 . . 0.50 11 2JCAN_ 11 TYR CA 12 SER N -8.72 . . 0.50 12 2JCAN_ 12 SER CA 13 SER N -8.20 . . 0.50 13 2JCAN_ 13 SER CA 14 SER N -4.50 . . 0.50 14 2JCAN_ 14 SER CA 15 ASP N -4.76 . . 0.50 15 2JCAN_ 15 ASP CA 16 VAL N -5.83 . . 0.50 16 2JCAN_ 16 VAL CA 17 SER N -6.08 . . 0.50 17 2JCAN_ 17 SER CA 18 THR N -4.85 . . 0.50 18 2JCAN_ 18 THR CA 19 ALA N -5.29 . . 0.50 19 2JCAN_ 19 ALA CA 20 GLN N -6.56 . . 0.50 20 2JCAN_ 20 GLN CA 21 ALA N -6.24 . . 0.50 21 2JCAN_ 21 ALA CA 22 ALA N -5.86 . . 0.50 22 2JCAN_ 22 ALA CA 23 GLY N -6.56 . . 0.50 23 2JCAN_ 23 GLY CA 24 TYR N -6.47 . . 0.50 24 2JCAN_ 24 TYR CA 25 LYS N -5.94 . . 0.50 25 2JCAN_ 25 LYS CA 26 LEU N -6.00 . . 0.50 26 2JCAN_ 26 LEU CA 27 HIS N -6.30 . . 0.50 27 2JCAN_ 27 HIS CA 28 GLU N -6.24 . . 0.50 28 2JCAN_ 28 GLU CA 29 ASP N -5.88 . . 0.50 29 2JCAN_ 29 ASP CA 30 GLY N -6.11 . . 0.50 30 2JCAN_ 30 GLY CA 31 GLU N -6.17 . . 0.50 31 2JCAN_ 31 GLU CA 32 THR N -9.39 . . 0.50 32 2JCAN_ 32 THR CA 33 VAL N -8.27 . . 0.50 33 2JCAN_ 33 VAL CA 34 GLY N -9.05 . . 0.50 34 2JCAN_ 36 ASN CA 37 SER N -6.64 . . 0.50 35 2JCAN_ 37 SER CA 38 TYR N -6.76 . . 0.50 36 2JCAN_ 39 PRO CA 40 HIS N -9.58 . . 0.50 37 2JCAN_ 40 HIS CA 41 LYS N -8.30 . . 0.50 38 2JCAN_ 41 LYS CA 42 TYR N -8.72 . . 0.50 39 2JCAN_ 42 TYR CA 43 ASN N -8.34 . . 0.50 40 2JCAN_ 43 ASN CA 44 ASN N -6.69 . . 0.50 41 2JCAN_ 44 ASN CA 45 TYR N -6.31 . . 0.50 42 2JCAN_ 45 TYR CA 46 GLU N -5.68 . . 0.50 43 2JCAN_ 46 GLU CA 47 GLY N -6.00 . . 0.50 44 2JCAN_ 47 GLY CA 48 PHE N -5.80 . . 0.50 45 2JCAN_ 48 PHE CA 49 ASP N -8.53 . . 0.50 46 2JCAN_ 49 ASP CA 50 PHE N -7.30 . . 0.50 47 2JCAN_ 50 PHE CA 51 SER N -8.76 . . 0.50 48 2JCAN_ 51 SER CA 52 VAL N -5.65 . . 0.50 49 2JCAN_ 52 VAL CA 53 SER N -8.19 . . 0.50 50 2JCAN_ 53 SER CA 54 SER N -9.09 . . 0.50 51 2JCAN_ 55 PRO CA 56 TYR N -9.88 . . 0.50 52 2JCAN_ 56 TYR CA 57 TYR N -8.52 . . 0.50 53 2JCAN_ 57 TYR CA 58 GLU N -9.02 . . 0.50 54 2JCAN_ 58 GLU CA 59 TRP N -9.39 . . 0.50 55 2JCAN_ 60 PRO CA 61 ILE N -9.68 . . 0.50 56 2JCAN_ 61 ILE CA 62 LEU N -7.79 . . 0.50 57 2JCAN_ 62 LEU CA 63 SER N -8.55 . . 0.50 58 2JCAN_ 63 SER CA 64 SER N -5.19 . . 0.50 59 2JCAN_ 64 SER CA 65 GLY N -5.80 . . 0.50 60 2JCAN_ 65 GLY CA 66 ASP N -5.79 . . 0.50 61 2JCAN_ 66 ASP CA 67 VAL N -8.80 . . 0.50 62 2JCAN_ 67 VAL CA 68 TYR N -8.02 . . 0.50 63 2JCAN_ 68 TYR CA 69 SER N -9.12 . . 0.50 64 2JCAN_ 70 GLY CA 71 GLY N -8.56 . . 0.50 65 2JCAN_ 73 PRO CA 74 GLY N -6.38 . . 0.50 66 2JCAN_ 74 GLY CA 75 ALA N -8.40 . . 0.50 67 2JCAN_ 75 ALA CA 76 ASP N -6.27 . . 0.50 68 2JCAN_ 76 ASP CA 77 ARG N -8.84 . . 0.50 69 2JCAN_ 77 ARG CA 78 VAL N -8.77 . . 0.50 70 2JCAN_ 78 VAL CA 79 VAL N -8.68 . . 0.50 71 2JCAN_ 79 VAL CA 80 PHE N -7.76 . . 0.50 72 2JCAN_ 80 PHE CA 81 ASN N -8.40 . . 0.50 73 2JCAN_ 81 ASN CA 82 GLU N -8.87 . . 0.50 74 2JCAN_ 82 GLU CA 83 ASN N -6.08 . . 0.50 75 2JCAN_ 83 ASN CA 84 ASN N -6.65 . . 0.50 76 2JCAN_ 84 ASN CA 85 GLN N -6.60 . . 0.50 77 2JCAN_ 85 GLN CA 86 LEU N -8.89 . . 0.50 78 2JCAN_ 86 LEU CA 87 ALA N -7.96 . . 0.50 79 2JCAN_ 87 ALA CA 88 GLY N -6.56 . . 0.50 80 2JCAN_ 88 GLY CA 89 VAL N -9.64 . . 0.50 81 2JCAN_ 89 VAL CA 90 ILE N -8.07 . . 0.50 82 2JCAN_ 90 ILE CA 91 THR N -8.75 . . 0.50 83 2JCAN_ 91 THR CA 92 HIS N -7.49 . . 0.50 84 2JCAN_ 92 HIS CA 93 THR N -6.47 . . 0.50 85 2JCAN_ 93 THR CA 94 GLY N -8.62 . . 0.50 86 2JCAN_ 94 GLY CA 95 ALA N -5.92 . . 0.50 87 2JCAN_ 95 ALA CA 96 SER N -8.80 . . 0.50 88 2JCAN_ 96 SER CA 97 GLY N -8.22 . . 0.50 89 2JCAN_ 97 GLY CA 98 ASN N -9.54 . . 0.50 90 2JCAN_ 98 ASN CA 99 ASN N -6.56 . . 0.50 91 2JCAN_ 99 ASN CA 100 PHE N -8.34 . . 0.50 92 2JCAN_ 100 PHE CA 101 VAL N -8.95 . . 0.50 93 2JCAN_ 101 VAL CA 102 GLU N -7.59 . . 0.50 94 2JCAN_ 102 GLU CA 103 CYS N -7.92 . . 0.50 95 2JCAN_ 103 CYS CA 104 THR N -8.61 . . 0.50 stop_ save_ save_2JHNCa _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ca-coupled [15N,1H]-TROSY-HNCO' '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JHNCA 3 ASP H 3 ASP CA 2.05 . . 0.50 2 2JHNCA 4 TYR H 4 TYR CA 0.91 . . 0.50 3 2JHNCA 5 THR H 5 THR CA 1.49 . . 0.50 4 2JHNCA 6 CYS H 6 CYS CA 2.27 . . 0.50 5 2JHNCA 7 GLY H 7 GLY CA 2.35 . . 0.50 6 2JHNCA 8 SER H 8 SER CA 2.28 . . 0.50 7 2JHNCA 9 ASN H 9 ASN CA 1.13 . . 0.50 8 2JHNCA 10 CYS H 10 CYS CA 1.54 . . 0.50 9 2JHNCA 11 TYR H 11 TYR CA 1.27 . . 0.50 10 2JHNCA 12 SER H 12 SER CA 1.57 . . 0.50 11 2JHNCA 13 SER H 13 SER CA 3.12 . . 0.50 12 2JHNCA 14 SER H 14 SER CA 2.92 . . 0.50 13 2JHNCA 15 ASP H 15 ASP CA 2.32 . . 0.50 14 2JHNCA 16 VAL H 16 VAL CA 2.33 . . 0.50 15 2JHNCA 17 SER H 17 SER CA 2.90 . . 0.50 16 2JHNCA 18 THR H 18 THR CA 2.61 . . 0.50 17 2JHNCA 19 ALA H 19 ALA CA 2.26 . . 0.50 18 2JHNCA 20 GLN H 20 GLN CA 2.58 . . 0.50 19 2JHNCA 21 ALA H 21 ALA CA 3.08 . . 0.50 20 2JHNCA 22 ALA H 22 ALA CA 2.18 . . 0.50 21 2JHNCA 23 GLY H 23 GLY CA 2.05 . . 0.50 22 2JHNCA 24 TYR H 24 TYR CA 3.01 . . 0.50 23 2JHNCA 25 LYS H 25 LYS CA 2.59 . . 0.50 24 2JHNCA 26 LEU H 26 LEU CA 2.95 . . 0.50 25 2JHNCA 27 HIS H 27 HIS CA 2.46 . . 0.50 26 2JHNCA 28 GLU H 28 GLU CA 2.62 . . 0.50 27 2JHNCA 29 ASP H 29 ASP CA 1.92 . . 0.50 28 2JHNCA 30 GLY H 30 GLY CA 1.94 . . 0.50 29 2JHNCA 31 GLU H 31 GLU CA 0.68 . . 0.50 30 2JHNCA 32 THR H 32 THR CA 1.01 . . 0.50 31 2JHNCA 33 VAL H 33 VAL CA 1.03 . . 0.50 32 2JHNCA 34 GLY H 34 GLY CA 1.89 . . 0.50 33 2JHNCA 37 SER H 37 SER CA 1.56 . . 0.50 34 2JHNCA 38 TYR H 38 TYR CA 1.65 . . 0.50 35 2JHNCA 40 HIS H 40 HIS CA 2.26 . . 0.50 36 2JHNCA 41 LYS H 41 LYS CA 1.16 . . 0.50 37 2JHNCA 42 TYR H 42 TYR CA 1.40 . . 0.50 38 2JHNCA 43 ASN H 43 ASN CA 2.38 . . 0.50 39 2JHNCA 44 ASN H 44 ASN CA 3.22 . . 0.50 40 2JHNCA 45 TYR H 45 TYR CA 2.50 . . 0.50 41 2JHNCA 46 GLU H 46 GLU CA 2.16 . . 0.50 42 2JHNCA 47 GLY H 47 GLY CA 1.76 . . 0.50 43 2JHNCA 48 PHE H 48 PHE CA 1.80 . . 0.50 44 2JHNCA 49 ASP H 49 ASP CA 2.06 . . 0.50 45 2JHNCA 50 PHE H 50 PHE CA 2.40 . . 0.50 46 2JHNCA 51 SER H 51 SER CA 2.28 . . 0.50 47 2JHNCA 52 VAL H 52 VAL CA 0.99 . . 0.50 48 2JHNCA 53 SER H 53 SER CA 2.08 . . 0.50 49 2JHNCA 54 SER H 54 SER CA 1.70 . . 0.50 50 2JHNCA 56 TYR H 56 TYR CA 1.32 . . 0.50 51 2JHNCA 57 TYR H 57 TYR CA 1.69 . . 0.50 52 2JHNCA 58 GLU H 58 GLU CA 1.58 . . 0.50 53 2JHNCA 59 TRP H 59 TRP CA 1.17 . . 0.50 54 2JHNCA 61 ILE H 61 ILE CA 1.41 . . 0.50 55 2JHNCA 62 LEU H 62 LEU CA 1.54 . . 0.50 56 2JHNCA 63 SER H 63 SER CA 2.78 . . 0.50 57 2JHNCA 64 SER H 64 SER CA 2.39 . . 0.50 58 2JHNCA 65 GLY H 65 GLY CA 2.20 . . 0.50 59 2JHNCA 66 ASP H 66 ASP CA 1.10 . . 0.50 60 2JHNCA 67 VAL H 67 VAL CA 1.95 . . 0.50 61 2JHNCA 68 TYR H 68 TYR CA 2.23 . . 0.50 62 2JHNCA 69 SER H 69 SER CA 2.22 . . 0.50 63 2JHNCA 74 GLY H 74 GLY CA 2.05 . . 0.50 64 2JHNCA 75 ALA H 75 ALA CA 3.45 . . 0.50 65 2JHNCA 76 ASP H 76 ASP CA 1.21 . . 0.50 66 2JHNCA 77 ARG H 77 ARG CA 1.75 . . 0.50 67 2JHNCA 78 VAL H 78 VAL CA 0.49 . . 0.50 68 2JHNCA 79 VAL H 79 VAL CA 1.41 . . 0.50 69 2JHNCA 80 PHE H 80 PHE CA 2.12 . . 0.50 70 2JHNCA 81 ASN H 81 ASN CA 2.13 . . 0.50 71 2JHNCA 82 GLU H 82 GLU CA 2.06 . . 0.50 72 2JHNCA 83 ASN H 83 ASN CA 1.49 . . 0.50 73 2JHNCA 84 ASN H 84 ASN CA 2.33 . . 0.50 74 2JHNCA 85 GLN H 85 GLN CA 0.95 . . 0.50 75 2JHNCA 86 LEU H 86 LEU CA 2.46 . . 0.50 76 2JHNCA 87 ALA H 87 ALA CA 1.93 . . 0.50 77 2JHNCA 88 GLY H 88 GLY CA 1.73 . . 0.50 78 2JHNCA 89 VAL H 89 VAL CA 1.28 . . 0.50 79 2JHNCA 90 ILE H 90 ILE CA 1.34 . . 0.50 80 2JHNCA 91 THR H 91 THR CA 1.10 . . 0.50 81 2JHNCA 92 HIS H 92 HIS CA 2.53 . . 0.50 82 2JHNCA 93 THR H 93 THR CA 2.31 . . 0.50 83 2JHNCA 94 GLY H 94 GLY CA 2.30 . . 0.50 84 2JHNCA 95 ALA H 95 ALA CA 1.63 . . 0.50 85 2JHNCA 96 SER H 96 SER CA 1.90 . . 0.50 86 2JHNCA 97 GLY H 97 GLY CA 1.42 . . 0.50 87 2JHNCA 99 ASN H 99 ASN CA 1.33 . . 0.50 88 2JHNCA 100 PHE H 100 PHE CA 1.04 . . 0.50 89 2JHNCA 101 VAL H 101 VAL CA 0.62 . . 0.50 90 2JHNCA 102 GLU H 102 GLU CA 2.28 . . 0.50 91 2JHNCA 103 CYS H 103 CYS CA 1.19 . . 0.50 92 2JHNCA 104 THR H 104 THR CA 1.16 . . 0.50 stop_ save_ save_2JCOHN _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D IPAP-type HN(a/b-NCO-J)-TROSY' '3D CO-coupled ct-[15N,1H]-TROSY-HNCA' '3D CO-coupled (H)CANNH' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCOHN 2 CYS C 3 ASP H 3.93 . . 0.50 2 2JCOHN 3 ASP C 4 TYR H 4.12 . . 0.50 3 2JCOHN 4 TYR C 5 THR H 4.39 . . 0.50 4 2JCOHN 5 THR C 6 CYS H 3.70 . . 0.50 5 2JCOHN 6 CYS C 7 GLY H 4.96 . . 0.50 6 2JCOHN 7 GLY C 8 SER H 3.77 . . 0.50 7 2JCOHN 8 SER C 9 ASN H 4.11 . . 0.50 8 2JCOHN 9 ASN C 10 CYS H 4.14 . . 0.50 9 2JCOHN 10 CYS C 11 TYR H 4.30 . . 0.50 10 2JCOHN 11 TYR C 12 SER H 3.98 . . 0.50 11 2JCOHN 12 SER C 13 SER H 3.72 . . 0.50 12 2JCOHN 13 SER C 14 SER H 3.95 . . 0.50 13 2JCOHN 14 SER C 15 ASP H 4.16 . . 0.50 14 2JCOHN 15 ASP C 16 VAL H 3.89 . . 0.50 15 2JCOHN 16 VAL C 17 SER H 4.22 . . 0.50 16 2JCOHN 17 SER C 18 THR H 3.99 . . 0.50 17 2JCOHN 18 THR C 19 ALA H 4.56 . . 0.50 18 2JCOHN 19 ALA C 20 GLN H 4.16 . . 0.50 19 2JCOHN 20 GLN C 21 ALA H 4.28 . . 0.50 20 2JCOHN 21 ALA C 22 ALA H 4.59 . . 0.50 21 2JCOHN 22 ALA C 23 GLY H 4.70 . . 0.50 22 2JCOHN 23 GLY C 24 TYR H 4.40 . . 0.50 23 2JCOHN 24 TYR C 25 LYS H 4.52 . . 0.50 24 2JCOHN 25 LYS C 26 LEU H 4.38 . . 0.50 25 2JCOHN 26 LEU C 27 HIS H 3.93 . . 0.50 26 2JCOHN 27 HIS C 28 GLU H 4.02 . . 0.50 27 2JCOHN 28 GLU C 29 ASP H 4.12 . . 0.50 28 2JCOHN 29 ASP C 30 GLY H 4.52 . . 0.50 29 2JCOHN 30 GLY C 31 GLU H 4.00 . . 0.50 30 2JCOHN 31 GLU C 32 THR H 4.22 . . 0.50 31 2JCOHN 32 THR C 33 VAL H 3.85 . . 0.50 32 2JCOHN 33 VAL C 34 GLY H 4.36 . . 0.50 33 2JCOHN 35 SER C 36 ASN H 3.53 . . 0.50 34 2JCOHN 36 ASN C 37 SER H 4.33 . . 0.50 35 2JCOHN 37 SER C 38 TYR H 3.95 . . 0.50 36 2JCOHN 39 PRO C 40 HIS H 4.57 . . 0.50 37 2JCOHN 40 HIS C 41 LYS H 4.08 . . 0.50 38 2JCOHN 41 LYS C 42 TYR H 3.73 . . 0.50 39 2JCOHN 42 TYR C 43 ASN H 4.14 . . 0.50 40 2JCOHN 43 ASN C 44 ASN H 4.39 . . 0.50 41 2JCOHN 44 ASN C 45 TYR H 4.10 . . 0.50 42 2JCOHN 45 TYR C 46 GLU H 4.45 . . 0.50 43 2JCOHN 46 GLU C 47 GLY H 4.77 . . 0.50 44 2JCOHN 47 GLY C 48 PHE H 3.90 . . 0.50 45 2JCOHN 48 PHE C 49 ASP H 4.32 . . 0.50 46 2JCOHN 49 ASP C 50 PHE H 3.51 . . 0.50 47 2JCOHN 50 PHE C 51 SER H 3.99 . . 0.50 48 2JCOHN 51 SER C 52 VAL H 3.37 . . 0.50 49 2JCOHN 52 VAL C 53 SER H 3.87 . . 0.50 50 2JCOHN 53 SER C 54 SER H 3.21 . . 0.50 51 2JCOHN 55 PRO C 56 TYR H 4.26 . . 0.50 52 2JCOHN 56 TYR C 57 TYR H 3.88 . . 0.50 53 2JCOHN 57 TYR C 58 GLU H 3.75 . . 0.50 54 2JCOHN 58 GLU C 59 TRP H 4.17 . . 0.50 55 2JCOHN 60 PRO C 61 ILE H 3.88 . . 0.50 56 2JCOHN 61 ILE C 62 LEU H 4.21 . . 0.50 57 2JCOHN 62 LEU C 63 SER H 3.68 . . 0.50 58 2JCOHN 63 SER C 64 SER H 3.93 . . 0.50 59 2JCOHN 64 SER C 65 GLY H 4.34 . . 0.50 60 2JCOHN 65 GLY C 66 ASP H 3.89 . . 0.50 61 2JCOHN 66 ASP C 67 VAL H 3.99 . . 0.50 62 2JCOHN 67 VAL C 68 TYR H 4.20 . . 0.50 63 2JCOHN 68 TYR C 69 SER H 3.49 . . 0.50 64 2JCOHN 73 PRO C 74 GLY H 4.87 . . 0.50 65 2JCOHN 74 GLY C 75 ALA H 3.76 . . 0.50 66 2JCOHN 75 ALA C 76 ASP H 4.65 . . 0.50 67 2JCOHN 76 ASP C 77 ARG H 4.28 . . 0.50 68 2JCOHN 77 ARG C 78 VAL H 2.91 . . 0.50 69 2JCOHN 78 VAL C 79 VAL H 4.71 . . 0.50 70 2JCOHN 79 VAL C 80 PHE H 3.93 . . 0.50 71 2JCOHN 80 PHE C 81 ASN H 4.51 . . 0.50 72 2JCOHN 81 ASN C 82 GLU H 4.22 . . 0.50 73 2JCOHN 82 GLU C 83 ASN H 3.98 . . 0.50 74 2JCOHN 83 ASN C 84 ASN H 4.88 . . 0.50 75 2JCOHN 84 ASN C 85 GLN H 4.61 . . 0.50 76 2JCOHN 85 GLN C 86 LEU H 4.49 . . 0.50 77 2JCOHN 86 LEU C 87 ALA H 4.11 . . 0.50 78 2JCOHN 87 ALA C 88 GLY H 4.69 . . 0.50 79 2JCOHN 88 GLY C 89 VAL H 4.24 . . 0.50 80 2JCOHN 89 VAL C 90 ILE H 3.91 . . 0.50 81 2JCOHN 90 ILE C 91 THR H 3.97 . . 0.50 82 2JCOHN 91 THR C 92 HIS H 3.51 . . 0.50 83 2JCOHN 92 HIS C 93 THR H 4.57 . . 0.50 84 2JCOHN 93 THR C 94 GLY H 4.57 . . 0.50 85 2JCOHN 94 GLY C 95 ALA H 4.21 . . 0.50 86 2JCOHN 95 ALA C 96 SER H 4.20 . . 0.50 87 2JCOHN 96 SER C 97 GLY H 4.59 . . 0.50 88 2JCOHN 98 ASN C 99 ASN H 3.85 . . 0.50 89 2JCOHN 99 ASN C 100 PHE H 3.81 . . 0.50 90 2JCOHN 100 PHE C 101 VAL H 3.64 . . 0.50 91 2JCOHN 101 VAL C 102 GLU H 4.24 . . 0.50 92 2JCOHN 102 GLU C 103 CYS H 4.11 . . 0.50 93 2JCOHN 103 CYS C 104 THR H 3.98 . . 0.50 stop_ save_ save_2JCOCa _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ca-coupled [15N,1H]-TROSY-HNCO' '3D CO-coupled ct-[15N,1H]-TROSY-HNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCOCA 2 CYS C 3 ASP CA -0.56 . . 0.50 2 2JCOCA 3 ASP C 4 TYR CA -0.33 . . 0.50 3 2JCOCA 4 TYR C 5 THR CA -0.66 . . 0.50 4 2JCOCA 5 THR C 6 CYS CA -0.90 . . 0.50 5 2JCOCA 6 CYS C 7 GLY CA -0.81 . . 0.50 6 2JCOCA 7 GLY C 8 SER CA -0.71 . . 0.50 7 2JCOCA 8 SER C 9 ASN CA -0.24 . . 0.50 8 2JCOCA 9 ASN C 10 CYS CA -0.75 . . 0.50 9 2JCOCA 10 CYS C 11 TYR CA -0.59 . . 0.50 10 2JCOCA 11 TYR C 12 SER CA -0.69 . . 0.50 11 2JCOCA 12 SER C 13 SER CA 0.48 . . 0.50 12 2JCOCA 13 SER C 14 SER CA 0.24 . . 0.50 13 2JCOCA 14 SER C 15 ASP CA -0.46 . . 0.50 14 2JCOCA 15 ASP C 16 VAL CA -0.71 . . 0.50 15 2JCOCA 16 VAL C 17 SER CA 0.24 . . 0.50 16 2JCOCA 17 SER C 18 THR CA -0.53 . . 0.50 17 2JCOCA 18 THR C 19 ALA CA -0.54 . . 0.50 18 2JCOCA 19 ALA C 20 GLN CA -0.64 . . 0.50 19 2JCOCA 20 GLN C 21 ALA CA -0.43 . . 0.50 20 2JCOCA 21 ALA C 22 ALA CA -0.70 . . 0.50 21 2JCOCA 22 ALA C 23 GLY CA -0.61 . . 0.50 22 2JCOCA 23 GLY C 24 TYR CA -0.24 . . 0.50 23 2JCOCA 24 TYR C 25 LYS CA -0.49 . . 0.50 24 2JCOCA 25 LYS C 26 LEU CA -0.22 . . 0.50 25 2JCOCA 26 LEU C 27 HIS CA -0.51 . . 0.50 26 2JCOCA 27 HIS C 28 GLU CA -0.53 . . 0.50 27 2JCOCA 28 GLU C 29 ASP CA -0.69 . . 0.50 28 2JCOCA 29 ASP C 30 GLY CA -0.63 . . 0.50 29 2JCOCA 30 GLY C 31 GLU CA -0.48 . . 0.50 30 2JCOCA 31 GLU C 32 THR CA -0.15 . . 0.50 31 2JCOCA 32 THR C 33 VAL CA -0.41 . . 0.50 32 2JCOCA 33 VAL C 34 GLY CA -1.33 . . 0.50 33 2JCOCA 36 ASN C 37 SER CA -0.57 . . 0.50 34 2JCOCA 37 SER C 38 TYR CA -0.47 . . 0.50 35 2JCOCA 39 PRO C 40 HIS CA 0.03 . . 0.50 36 2JCOCA 41 LYS C 42 TYR CA -0.63 . . 0.50 37 2JCOCA 42 TYR C 43 ASN CA 0.13 . . 0.50 38 2JCOCA 43 ASN C 44 ASN CA -0.82 . . 0.50 39 2JCOCA 44 ASN C 45 TYR CA -0.65 . . 0.50 40 2JCOCA 45 TYR C 46 GLU CA -0.43 . . 0.50 41 2JCOCA 46 GLU C 47 GLY CA -0.62 . . 0.50 42 2JCOCA 47 GLY C 48 PHE CA -0.63 . . 0.50 43 2JCOCA 48 PHE C 49 ASP CA -0.95 . . 0.50 44 2JCOCA 49 ASP C 50 PHE CA -0.87 . . 0.50 45 2JCOCA 50 PHE C 51 SER CA -1.03 . . 0.50 46 2JCOCA 51 SER C 52 VAL CA -0.31 . . 0.50 47 2JCOCA 52 VAL C 53 SER CA -0.80 . . 0.50 48 2JCOCA 53 SER C 54 SER CA -1.00 . . 0.50 49 2JCOCA 55 PRO C 56 TYR CA -0.29 . . 0.50 50 2JCOCA 56 TYR C 57 TYR CA -0.25 . . 0.50 51 2JCOCA 57 TYR C 58 GLU CA -0.77 . . 0.50 52 2JCOCA 58 GLU C 59 TRP CA -0.52 . . 0.50 53 2JCOCA 60 PRO C 61 ILE CA -0.26 . . 0.50 54 2JCOCA 61 ILE C 62 LEU CA -0.70 . . 0.50 55 2JCOCA 62 LEU C 63 SER CA -0.52 . . 0.50 56 2JCOCA 63 SER C 64 SER CA -0.36 . . 0.50 57 2JCOCA 64 SER C 65 GLY CA -0.74 . . 0.50 58 2JCOCA 65 GLY C 66 ASP CA -0.44 . . 0.50 59 2JCOCA 66 ASP C 67 VAL CA -0.86 . . 0.50 60 2JCOCA 67 VAL C 68 TYR CA -1.29 . . 0.50 61 2JCOCA 68 TYR C 69 SER CA -0.67 . . 0.50 62 2JCOCA 73 PRO C 74 GLY CA -0.38 . . 0.50 63 2JCOCA 74 GLY C 75 ALA CA -0.68 . . 0.50 64 2JCOCA 75 ALA C 76 ASP CA -0.12 . . 0.50 65 2JCOCA 76 ASP C 77 ARG CA -0.48 . . 0.50 66 2JCOCA 77 ARG C 78 VAL CA -1.02 . . 0.50 67 2JCOCA 78 VAL C 79 VAL CA -0.88 . . 0.50 68 2JCOCA 79 VAL C 80 PHE CA -0.23 . . 0.50 69 2JCOCA 80 PHE C 81 ASN CA -0.43 . . 0.50 70 2JCOCA 81 ASN C 82 GLU CA -0.93 . . 0.50 71 2JCOCA 82 GLU C 83 ASN CA -0.58 . . 0.50 72 2JCOCA 83 ASN C 84 ASN CA -0.73 . . 0.50 73 2JCOCA 84 ASN C 85 GLN CA -0.33 . . 0.50 74 2JCOCA 85 GLN C 86 LEU CA -1.08 . . 0.50 75 2JCOCA 86 LEU C 87 ALA CA -0.63 . . 0.50 76 2JCOCA 87 ALA C 88 GLY CA -0.04 . . 0.50 77 2JCOCA 88 GLY C 89 VAL CA -0.38 . . 0.50 78 2JCOCA 89 VAL C 90 ILE CA -0.56 . . 0.50 79 2JCOCA 90 ILE C 91 THR CA -0.08 . . 0.50 80 2JCOCA 91 THR C 92 HIS CA -0.45 . . 0.50 81 2JCOCA 92 HIS C 93 THR CA -0.58 . . 0.50 82 2JCOCA 93 THR C 94 GLY CA -0.97 . . 0.50 83 2JCOCA 94 GLY C 95 ALA CA -0.63 . . 0.50 84 2JCOCA 95 ALA C 96 SER CA -0.24 . . 0.50 85 2JCOCA 96 SER C 97 GLY CA -1.53 . . 0.50 86 2JCOCA 98 ASN C 99 ASN CA -0.70 . . 0.50 87 2JCOCA 99 ASN C 100 PHE CA -0.53 . . 0.50 88 2JCOCA 100 PHE C 101 VAL CA -0.69 . . 0.50 89 2JCOCA 101 VAL C 102 GLU CA -0.95 . . 0.50 90 2JCOCA 102 GLU C 103 CYS CA -1.22 . . 0.50 91 2JCOCA 103 CYS C 104 THR CA -0.91 . . 0.50 stop_ save_ save_2JHaCO _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ha-coupled [15N,1H]-TROSY-H(N)COCA' '2D CO-coupled ct-[13C,1H]-HSQC' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JHACO 1 ALA HA 1 ALA C -3.69 . . 0.50 2 2JHACO 2 CYS HA 2 CYS C -3.56 . . 0.50 3 2JHACO 3 ASP HA 3 ASP C -5.22 . . 0.50 4 2JHACO 4 TYR HA 4 TYR C -3.95 . . 0.50 5 2JHACO 5 THR HA 5 THR C -3.92 . . 0.50 6 2JHACO 6 CYS HA 6 CYS C -4.08 . . 0.50 7 2JHACO 8 SER HA 8 SER C -6.84 . . 0.50 8 2JHACO 9 ASN HA 9 ASN C -3.69 . . 0.50 9 2JHACO 10 CYS HA 10 CYS C -2.95 . . 0.50 10 2JHACO 11 TYR HA 11 TYR C -3.20 . . 0.50 11 2JHACO 12 SER HA 12 SER C -3.63 . . 0.50 12 2JHACO 13 SER HA 13 SER C -4.81 . . 0.50 13 2JHACO 14 SER HA 14 SER C -6.17 . . 0.50 14 2JHACO 15 ASP HA 15 ASP C -5.07 . . 0.50 15 2JHACO 16 VAL HA 16 VAL C -5.46 . . 0.50 16 2JHACO 17 SER HA 17 SER C -5.73 . . 0.50 17 2JHACO 18 THR HA 18 THR C -5.63 . . 0.50 18 2JHACO 19 ALA HA 19 ALA C -5.36 . . 0.50 19 2JHACO 20 GLN HA 20 GLN C -5.07 . . 0.50 20 2JHACO 21 ALA HA 21 ALA C -5.22 . . 0.50 21 2JHACO 22 ALA HA 22 ALA C -4.87 . . 0.50 22 2JHACO 24 TYR HA 24 TYR C -5.01 . . 0.50 23 2JHACO 25 LYS HA 25 LYS C -5.02 . . 0.50 24 2JHACO 26 LEU HA 26 LEU C -5.47 . . 0.50 25 2JHACO 27 HIS HA 27 HIS C -4.99 . . 0.50 26 2JHACO 28 GLU HA 28 GLU C -5.40 . . 0.50 27 2JHACO 29 ASP HA 29 ASP C -5.46 . . 0.50 28 2JHACO 31 GLU HA 31 GLU C -4.19 . . 0.50 29 2JHACO 32 THR HA 32 THR C -5.58 . . 0.50 30 2JHACO 33 VAL HA 33 VAL C -4.74 . . 0.50 31 2JHACO 36 ASN HA 36 ASN C -5.87 . . 0.50 32 2JHACO 37 SER HA 37 SER C -5.45 . . 0.50 33 2JHACO 38 TYR HA 38 TYR C -3.12 . . 0.50 34 2JHACO 39 PRO HA 39 PRO C 0.18 . . 0.50 35 2JHACO 40 HIS HA 40 HIS C -4.07 . . 0.50 36 2JHACO 41 LYS HA 41 LYS C -2.49 . . 0.50 37 2JHACO 42 TYR HA 42 TYR C -3.81 . . 0.50 38 2JHACO 43 ASN HA 43 ASN C -6.36 . . 0.50 39 2JHACO 44 ASN HA 44 ASN C -5.96 . . 0.50 40 2JHACO 45 TYR HA 45 TYR C -5.57 . . 0.50 41 2JHACO 46 GLU HA 46 GLU C -5.18 . . 0.50 42 2JHACO 48 PHE HA 48 PHE C -2.85 . . 0.50 43 2JHACO 49 ASP HA 49 ASP C -3.77 . . 0.50 44 2JHACO 50 PHE HA 50 PHE C -3.99 . . 0.50 45 2JHACO 51 SER HA 51 SER C -6.21 . . 0.50 46 2JHACO 52 VAL HA 52 VAL C -4.24 . . 0.50 47 2JHACO 53 SER HA 53 SER C -2.77 . . 0.50 48 2JHACO 54 SER HA 54 SER C -3.62 . . 0.50 49 2JHACO 55 PRO HA 55 PRO C -0.68 . . 0.50 50 2JHACO 56 TYR HA 56 TYR C -3.82 . . 0.50 51 2JHACO 57 TYR HA 57 TYR C -3.94 . . 0.50 52 2JHACO 58 GLU HA 58 GLU C -4.52 . . 0.50 53 2JHACO 59 TRP HA 59 TRP C -3.44 . . 0.50 54 2JHACO 60 PRO HA 60 PRO C -2.41 . . 0.50 55 2JHACO 61 ILE HA 61 ILE C -3.66 . . 0.50 56 2JHACO 62 LEU HA 62 LEU C -3.87 . . 0.50 57 2JHACO 63 SER HA 63 SER C -5.47 . . 0.50 58 2JHACO 64 SER HA 64 SER C -5.07 . . 0.50 59 2JHACO 66 ASP HA 66 ASP C -3.85 . . 0.50 60 2JHACO 67 VAL HA 67 VAL C -3.05 . . 0.50 61 2JHACO 68 TYR HA 68 TYR C -2.16 . . 0.50 62 2JHACO 69 SER HA 69 SER C -5.17 . . 0.50 63 2JHACO 73 PRO HA 73 PRO C -5.05 . . 0.50 64 2JHACO 75 ALA HA 75 ALA C -4.78 . . 0.50 65 2JHACO 76 ASP HA 76 ASP C -3.91 . . 0.50 66 2JHACO 77 ARG HA 77 ARG C -4.60 . . 0.50 67 2JHACO 78 VAL HA 78 VAL C -4.02 . . 0.50 68 2JHACO 79 VAL HA 79 VAL C -3.98 . . 0.50 69 2JHACO 80 PHE HA 80 PHE C -5.21 . . 0.50 70 2JHACO 81 ASN HA 81 ASN C -6.12 . . 0.50 71 2JHACO 82 GLU HA 82 GLU C -4.81 . . 0.50 72 2JHACO 83 ASN HA 83 ASN C -6.21 . . 0.50 73 2JHACO 84 ASN HA 84 ASN C -5.68 . . 0.50 74 2JHACO 85 GLN HA 85 GLN C -3.45 . . 0.50 75 2JHACO 86 LEU HA 86 LEU C -1.87 . . 0.50 76 2JHACO 87 ALA HA 87 ALA C -6.16 . . 0.50 77 2JHACO 89 VAL HA 89 VAL C -3.91 . . 0.50 78 2JHACO 90 ILE HA 90 ILE C -5.56 . . 0.50 79 2JHACO 91 THR HA 91 THR C -4.35 . . 0.50 80 2JHACO 92 HIS HA 92 HIS C -5.49 . . 0.50 81 2JHACO 93 THR HA 93 THR C -3.02 . . 0.50 82 2JHACO 95 ALA HA 95 ALA C -4.22 . . 0.50 83 2JHACO 96 SER HA 96 SER C -4.56 . . 0.50 84 2JHACO 98 ASN HA 98 ASN C -5.91 . . 0.50 85 2JHACO 99 ASN HA 99 ASN C -3.97 . . 0.50 86 2JHACO 100 PHE HA 100 PHE C -4.30 . . 0.50 87 2JHACO 101 VAL HA 101 VAL C -4.62 . . 0.50 88 2JHACO 102 GLU HA 102 GLU C -3.29 . . 0.50 89 2JHACO 103 CYS HA 103 CYS C -3.16 . . 0.50 90 2JHACO 104 THR HA 104 THR C -6.04 . . 0.50 stop_ save_ save_2JHaCb _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D Cb-coupled [13C,1H]-HSQC' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 950 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JHACB 1 ALA HA 1 ALA CB -4.34 . . 0.50 2 2JHACB 2 CYS HA 2 CYS CB -3.44 . . 0.50 3 2JHACB 3 ASP HA 3 ASP CB -4.54 . . 0.50 4 2JHACB 4 TYR HA 4 TYR CB -4.54 . . 0.50 5 2JHACB 6 CYS HA 6 CYS CB -4.58 . . 0.50 6 2JHACB 9 ASN HA 9 ASN CB -1.10 . . 0.50 7 2JHACB 10 CYS HA 10 CYS CB -0.85 . . 0.50 8 2JHACB 11 TYR HA 11 TYR CB -4.49 . . 0.50 9 2JHACB 15 ASP HA 15 ASP CB -6.24 . . 0.50 10 2JHACB 16 VAL HA 16 VAL CB -4.93 . . 0.50 11 2JHACB 19 ALA HA 19 ALA CB -4.56 . . 0.50 12 2JHACB 20 GLN HA 20 GLN CB -4.24 . . 0.50 13 2JHACB 21 ALA HA 21 ALA CB -4.89 . . 0.50 14 2JHACB 22 ALA HA 22 ALA CB -4.70 . . 0.50 15 2JHACB 24 TYR HA 24 TYR CB -4.71 . . 0.50 16 2JHACB 25 LYS HA 25 LYS CB -4.23 . . 0.50 17 2JHACB 26 LEU HA 26 LEU CB -8.41 . . 0.50 18 2JHACB 27 HIS HA 27 HIS CB -4.39 . . 0.50 19 2JHACB 28 GLU HA 28 GLU CB -4.87 . . 0.50 20 2JHACB 31 GLU HA 31 GLU CB -5.37 . . 0.50 21 2JHACB 33 VAL HA 33 VAL CB -4.55 . . 0.50 22 2JHACB 36 ASN HA 36 ASN CB -6.20 . . 0.50 23 2JHACB 38 TYR HA 38 TYR CB -1.07 . . 0.50 24 2JHACB 39 PRO HA 39 PRO CB -4.33 . . 0.50 25 2JHACB 40 HIS HA 40 HIS CB -4.61 . . 0.50 26 2JHACB 41 LYS HA 41 LYS CB -4.55 . . 0.50 27 2JHACB 42 TYR HA 42 TYR CB -5.26 . . 0.50 28 2JHACB 43 ASN HA 43 ASN CB -7.19 . . 0.50 29 2JHACB 44 ASN HA 44 ASN CB -5.47 . . 0.50 30 2JHACB 45 TYR HA 45 TYR CB -5.67 . . 0.50 31 2JHACB 46 GLU HA 46 GLU CB -5.24 . . 0.50 32 2JHACB 48 PHE HA 48 PHE CB -6.14 . . 0.50 33 2JHACB 49 ASP HA 49 ASP CB -5.05 . . 0.50 34 2JHACB 50 PHE HA 50 PHE CB -3.57 . . 0.50 35 2JHACB 52 VAL HA 52 VAL CB -4.35 . . 0.50 36 2JHACB 55 PRO HA 55 PRO CB -2.63 . . 0.50 37 2JHACB 56 TYR HA 56 TYR CB -6.61 . . 0.50 38 2JHACB 57 TYR HA 57 TYR CB -4.59 . . 0.50 39 2JHACB 58 GLU HA 58 GLU CB -4.29 . . 0.50 40 2JHACB 59 TRP HA 59 TRP CB -3.34 . . 0.50 41 2JHACB 60 PRO HA 60 PRO CB -5.00 . . 0.50 42 2JHACB 61 ILE HA 61 ILE CB -3.29 . . 0.50 43 2JHACB 62 LEU HA 62 LEU CB -4.01 . . 0.50 44 2JHACB 66 ASP HA 66 ASP CB -5.01 . . 0.50 45 2JHACB 68 TYR HA 68 TYR CB -3.49 . . 0.50 46 2JHACB 73 PRO HA 73 PRO CB -1.44 . . 0.50 47 2JHACB 75 ALA HA 75 ALA CB -5.21 . . 0.50 48 2JHACB 76 ASP HA 76 ASP CB -6.11 . . 0.50 49 2JHACB 77 ARG HA 77 ARG CB -4.96 . . 0.50 50 2JHACB 78 VAL HA 78 VAL CB -5.05 . . 0.50 51 2JHACB 79 VAL HA 79 VAL CB -4.69 . . 0.50 52 2JHACB 80 PHE HA 80 PHE CB -4.40 . . 0.50 53 2JHACB 81 ASN HA 81 ASN CB -5.03 . . 0.50 54 2JHACB 82 GLU HA 82 GLU CB -4.79 . . 0.50 55 2JHACB 83 ASN HA 83 ASN CB -5.99 . . 0.50 56 2JHACB 84 ASN HA 84 ASN CB -6.07 . . 0.50 57 2JHACB 85 GLN HA 85 GLN CB -5.33 . . 0.50 58 2JHACB 86 LEU HA 86 LEU CB -5.43 . . 0.50 59 2JHACB 87 ALA HA 87 ALA CB -5.39 . . 0.50 60 2JHACB 89 VAL HA 89 VAL CB -4.52 . . 0.50 61 2JHACB 90 ILE HA 90 ILE CB -4.63 . . 0.50 62 2JHACB 92 HIS HA 92 HIS CB -6.41 . . 0.50 63 2JHACB 95 ALA HA 95 ALA CB -7.34 . . 0.50 64 2JHACB 98 ASN HA 98 ASN CB -5.75 . . 0.50 65 2JHACB 99 ASN HA 99 ASN CB -6.26 . . 0.50 66 2JHACB 100 PHE HA 100 PHE CB -2.70 . . 0.50 67 2JHACB 101 VAL HA 101 VAL CB -3.93 . . 0.50 68 2JHACB 102 GLU HA 102 GLU CB -4.54 . . 0.50 69 2JHACB 103 CYS HA 103 CYS CB -0.30 . . 0.50 stop_ save_ save_2JCbCO _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Cb-coupled [15N,1H]-TROSY-H(N)COCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCBCO 2 CYS CB 2 CYS C 0.32 . . 0.50 2 2JCBCO 3 ASP CB 3 ASP C -0.33 . . 0.50 3 2JCBCO 4 TYR CB 4 TYR C -0.23 . . 0.50 4 2JCBCO 6 CYS CB 6 CYS C 1.39 . . 0.50 5 2JCBCO 9 ASN CB 9 ASN C 0.40 . . 0.50 6 2JCBCO 10 CYS CB 10 CYS C -0.43 . . 0.50 7 2JCBCO 11 TYR CB 11 TYR C 0.23 . . 0.50 8 2JCBCO 15 ASP CB 15 ASP C -0.55 . . 0.50 9 2JCBCO 16 VAL CB 16 VAL C -0.65 . . 0.50 10 2JCBCO 19 ALA CB 19 ALA C -1.00 . . 0.50 11 2JCBCO 20 GLN CB 20 GLN C -1.57 . . 0.50 12 2JCBCO 21 ALA CB 21 ALA C -1.52 . . 0.50 13 2JCBCO 22 ALA CB 22 ALA C -1.24 . . 0.50 14 2JCBCO 24 TYR CB 24 TYR C -1.36 . . 0.50 15 2JCBCO 25 LYS CB 25 LYS C -1.29 . . 0.50 16 2JCBCO 26 LEU CB 26 LEU C -0.75 . . 0.50 17 2JCBCO 27 HIS CB 27 HIS C -1.03 . . 0.50 18 2JCBCO 28 GLU CB 28 GLU C -0.93 . . 0.50 19 2JCBCO 29 ASP CB 29 ASP C -0.12 . . 0.50 20 2JCBCO 31 GLU CB 31 GLU C 0.51 . . 0.50 21 2JCBCO 33 VAL CB 33 VAL C 0.06 . . 0.50 22 2JCBCO 36 ASN CB 36 ASN C 0.20 . . 0.50 23 2JCBCO 39 PRO CB 39 PRO C -1.37 . . 0.50 24 2JCBCO 40 HIS CB 40 HIS C -0.06 . . 0.50 25 2JCBCO 41 LYS CB 41 LYS C -1.45 . . 0.50 26 2JCBCO 42 TYR CB 42 TYR C -0.31 . . 0.50 27 2JCBCO 43 ASN CB 43 ASN C -1.02 . . 0.50 28 2JCBCO 44 ASN CB 44 ASN C -0.53 . . 0.50 29 2JCBCO 45 TYR CB 45 TYR C -0.48 . . 0.50 30 2JCBCO 46 GLU CB 46 GLU C -0.45 . . 0.50 31 2JCBCO 48 PHE CB 48 PHE C -0.39 . . 0.50 32 2JCBCO 49 ASP CB 49 ASP C -0.44 . . 0.50 33 2JCBCO 50 PHE CB 50 PHE C -0.27 . . 0.50 34 2JCBCO 52 VAL CB 52 VAL C -0.21 . . 0.50 35 2JCBCO 55 PRO CB 55 PRO C -1.20 . . 0.50 36 2JCBCO 56 TYR CB 56 TYR C 0.23 . . 0.50 37 2JCBCO 57 TYR CB 57 TYR C 0.04 . . 0.50 38 2JCBCO 58 GLU CB 58 GLU C -0.39 . . 0.50 39 2JCBCO 60 PRO CB 60 PRO C -0.95 . . 0.50 40 2JCBCO 61 ILE CB 61 ILE C -0.42 . . 0.50 41 2JCBCO 62 LEU CB 62 LEU C -0.25 . . 0.50 42 2JCBCO 66 ASP CB 66 ASP C -0.39 . . 0.50 43 2JCBCO 67 VAL CB 67 VAL C -0.54 . . 0.50 44 2JCBCO 68 TYR CB 68 TYR C -1.24 . . 0.50 45 2JCBCO 73 PRO CB 73 PRO C -1.11 . . 0.50 46 2JCBCO 75 ALA CB 75 ALA C -1.15 . . 0.50 47 2JCBCO 76 ASP CB 76 ASP C 0.52 . . 0.50 48 2JCBCO 77 ARG CB 77 ARG C -0.19 . . 0.50 49 2JCBCO 78 VAL CB 78 VAL C -0.06 . . 0.50 50 2JCBCO 79 VAL CB 79 VAL C 0.02 . . 0.50 51 2JCBCO 80 PHE CB 80 PHE C -0.45 . . 0.50 52 2JCBCO 81 ASN CB 81 ASN C -0.07 . . 0.50 53 2JCBCO 82 GLU CB 82 GLU C -1.14 . . 0.50 54 2JCBCO 83 ASN CB 83 ASN C 0.59 . . 0.50 55 2JCBCO 84 ASN CB 84 ASN C -0.22 . . 0.50 56 2JCBCO 85 GLN CB 85 GLN C 0.15 . . 0.50 57 2JCBCO 86 LEU CB 86 LEU C -1.01 . . 0.50 58 2JCBCO 87 ALA CB 87 ALA C 0.09 . . 0.50 59 2JCBCO 89 VAL CB 89 VAL C -0.20 . . 0.50 60 2JCBCO 90 ILE CB 90 ILE C 0.13 . . 0.50 61 2JCBCO 92 HIS CB 92 HIS C 0.16 . . 0.50 62 2JCBCO 95 ALA CB 95 ALA C -0.37 . . 0.50 63 2JCBCO 98 ASN CB 98 ASN C 0.07 . . 0.50 64 2JCBCO 99 ASN CB 99 ASN C 0.03 . . 0.50 65 2JCBCO 100 PHE CB 100 PHE C 0.08 . . 0.50 66 2JCBCO 101 VAL CB 101 VAL C 0.01 . . 0.50 67 2JCBCO 102 GLU CB 102 GLU C -0.66 . . 0.50 68 2JCBCO 103 CYS CB 103 CYS C 0.30 . . 0.50 stop_ save_ save_2JN_HA _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JN_HA 3 ASP N 3 ASP HA 0.25 . . 0.50 2 2JN_HA 5 THR N 5 THR HA 0.89 . . 0.50 3 2JN_HA 6 CYS N 6 CYS HA 0.44 . . 0.50 4 2JN_HA 8 SER N 8 SER HA 1.11 . . 0.50 5 2JN_HA 9 ASN N 9 ASN HA 0.27 . . 0.50 6 2JN_HA 10 CYS N 10 CYS HA 0.52 . . 0.50 7 2JN_HA 11 TYR N 11 TYR HA 0.47 . . 0.50 8 2JN_HA 12 SER N 12 SER HA 0.46 . . 0.50 9 2JN_HA 13 SER N 13 SER HA 2.16 . . 0.50 10 2JN_HA 15 ASP N 15 ASP HA -0.16 . . 0.50 11 2JN_HA 16 VAL N 16 VAL HA 0.82 . . 0.50 12 2JN_HA 17 SER N 17 SER HA -0.95 . . 0.50 13 2JN_HA 18 THR N 18 THR HA 0.33 . . 0.50 14 2JN_HA 19 ALA N 19 ALA HA 0.35 . . 0.50 15 2JN_HA 20 GLN N 20 GLN HA 0.81 . . 0.50 16 2JN_HA 21 ALA N 21 ALA HA 0.43 . . 0.50 17 2JN_HA 22 ALA N 22 ALA HA 0.40 . . 0.50 18 2JN_HA 24 TYR N 24 TYR HA 1.05 . . 0.50 19 2JN_HA 25 LYS N 25 LYS HA 1.01 . . 0.50 20 2JN_HA 26 LEU N 26 LEU HA 0.32 . . 0.50 21 2JN_HA 27 HIS N 27 HIS HA 0.64 . . 0.50 22 2JN_HA 29 ASP N 29 ASP HA 0.75 . . 0.50 23 2JN_HA 31 GLU N 31 GLU HA 0.46 . . 0.50 24 2JN_HA 32 THR N 32 THR HA 0.83 . . 0.50 25 2JN_HA 33 VAL N 33 VAL HA 0.56 . . 0.50 26 2JN_HA 37 SER N 37 SER HA -0.10 . . 0.50 27 2JN_HA 38 TYR N 38 TYR HA 0.50 . . 0.50 28 2JN_HA 40 HIS N 40 HIS HA 0.37 . . 0.50 29 2JN_HA 42 TYR N 42 TYR HA 0.78 . . 0.50 30 2JN_HA 43 ASN N 43 ASN HA -0.60 . . 0.50 31 2JN_HA 46 GLU N 46 GLU HA 0.44 . . 0.50 32 2JN_HA 48 PHE N 48 PHE HA -0.39 . . 0.50 33 2JN_HA 49 ASP N 49 ASP HA 0.94 . . 0.50 34 2JN_HA 50 PHE N 50 PHE HA 0.17 . . 0.50 35 2JN_HA 51 SER N 51 SER HA 0.76 . . 0.50 36 2JN_HA 52 VAL N 52 VAL HA 0.46 . . 0.50 37 2JN_HA 53 SER N 53 SER HA -0.31 . . 0.50 38 2JN_HA 54 SER N 54 SER HA 0.71 . . 0.50 39 2JN_HA 56 TYR N 56 TYR HA 0.35 . . 0.50 40 2JN_HA 57 TYR N 57 TYR HA -0.38 . . 0.50 41 2JN_HA 58 GLU N 58 GLU HA 0.60 . . 0.50 42 2JN_HA 59 TRP N 59 TRP HA 0.60 . . 0.50 43 2JN_HA 61 ILE N 61 ILE HA 0.97 . . 0.50 44 2JN_HA 62 LEU N 62 LEU HA 0.21 . . 0.50 45 2JN_HA 63 SER N 63 SER HA -0.79 . . 0.50 46 2JN_HA 64 SER N 64 SER HA 0.32 . . 0.50 47 2JN_HA 66 ASP N 66 ASP HA 0.37 . . 0.50 48 2JN_HA 67 VAL N 67 VAL HA 0.83 . . 0.50 49 2JN_HA 68 TYR N 68 TYR HA 0.83 . . 0.50 50 2JN_HA 69 SER N 69 SER HA 0.84 . . 0.50 51 2JN_HA 75 ALA N 75 ALA HA 0.19 . . 0.50 52 2JN_HA 76 ASP N 76 ASP HA 0.61 . . 0.50 53 2JN_HA 77 ARG N 77 ARG HA 0.10 . . 0.50 54 2JN_HA 78 VAL N 78 VAL HA 0.36 . . 0.50 55 2JN_HA 79 VAL N 79 VAL HA 1.17 . . 0.50 56 2JN_HA 80 PHE N 80 PHE HA 0.10 . . 0.50 57 2JN_HA 81 ASN N 81 ASN HA 0.40 . . 0.50 58 2JN_HA 82 GLU N 82 GLU HA 0.70 . . 0.50 59 2JN_HA 83 ASN N 83 ASN HA 0.72 . . 0.50 60 2JN_HA 84 ASN N 84 ASN HA 1.16 . . 0.50 61 2JN_HA 85 GLN N 85 GLN HA 0.57 . . 0.50 62 2JN_HA 86 LEU N 86 LEU HA 0.45 . . 0.50 63 2JN_HA 87 ALA N 87 ALA HA 0.67 . . 0.50 64 2JN_HA 89 VAL N 89 VAL HA 0.39 . . 0.50 65 2JN_HA 90 ILE N 90 ILE HA 0.54 . . 0.50 66 2JN_HA 91 THR N 91 THR HA 0.82 . . 0.50 67 2JN_HA 92 HIS N 92 HIS HA 0.04 . . 0.50 68 2JN_HA 93 THR N 93 THR HA 0.75 . . 0.50 69 2JN_HA 95 ALA N 95 ALA HA 0.62 . . 0.50 70 2JN_HA 99 ASN N 99 ASN HA 0.76 . . 0.50 71 2JN_HA 100 PHE N 100 PHE HA -0.16 . . 0.50 72 2JN_HA 101 VAL N 101 VAL HA 0.59 . . 0.50 73 2JN_HA 102 GLU N 102 GLU HA 0.38 . . 0.50 74 2JN_HA 104 THR N 104 THR HA 1.21 . . 0.50 stop_ save_ save_2JN_CB _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Cb-coupled [15N,1H]-TROSY-HNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JN_CB 3 ASP N 3 ASP CB -0.96 . . 0.50 2 2JN_CB 4 TYR N 4 TYR CB -0.33 . . 0.50 3 2JN_CB 6 CYS N 6 CYS CB -0.93 . . 0.50 4 2JN_CB 9 ASN N 9 ASN CB -0.76 . . 0.50 5 2JN_CB 10 CYS N 10 CYS CB -1.28 . . 0.50 6 2JN_CB 11 TYR N 11 TYR CB -0.52 . . 0.50 7 2JN_CB 15 ASP N 15 ASP CB -0.89 . . 0.50 8 2JN_CB 16 VAL N 16 VAL CB -0.89 . . 0.50 9 2JN_CB 19 ALA N 19 ALA CB -1.08 . . 0.50 10 2JN_CB 20 GLN N 20 GLN CB -1.22 . . 0.50 11 2JN_CB 21 ALA N 21 ALA CB -0.71 . . 0.50 12 2JN_CB 22 ALA N 22 ALA CB -0.57 . . 0.50 13 2JN_CB 24 TYR N 24 TYR CB -0.84 . . 0.50 14 2JN_CB 25 LYS N 25 LYS CB -0.82 . . 0.50 15 2JN_CB 27 HIS N 27 HIS CB -1.38 . . 0.50 16 2JN_CB 28 GLU N 28 GLU CB -0.72 . . 0.50 17 2JN_CB 29 ASP N 29 ASP CB -0.77 . . 0.50 18 2JN_CB 31 GLU N 31 GLU CB -0.43 . . 0.50 19 2JN_CB 33 VAL N 33 VAL CB -0.41 . . 0.50 20 2JN_CB 36 ASN N 36 ASN CB 0.22 . . 0.50 21 2JN_CB 38 TYR N 38 TYR CB -0.86 . . 0.50 22 2JN_CB 40 HIS N 40 HIS CB -0.90 . . 0.50 23 2JN_CB 41 LYS N 41 LYS CB -1.31 . . 0.50 24 2JN_CB 42 TYR N 42 TYR CB -1.09 . . 0.50 25 2JN_CB 43 ASN N 43 ASN CB -0.61 . . 0.50 26 2JN_CB 44 ASN N 44 ASN CB -0.13 . . 0.50 27 2JN_CB 45 TYR N 45 TYR CB -1.03 . . 0.50 28 2JN_CB 48 PHE N 48 PHE CB -0.45 . . 0.50 29 2JN_CB 49 ASP N 49 ASP CB -1.00 . . 0.50 30 2JN_CB 50 PHE N 50 PHE CB -0.71 . . 0.50 31 2JN_CB 52 VAL N 52 VAL CB -0.57 . . 0.50 32 2JN_CB 56 TYR N 56 TYR CB -0.55 . . 0.50 33 2JN_CB 57 TYR N 57 TYR CB -0.56 . . 0.50 34 2JN_CB 58 GLU N 58 GLU CB -0.84 . . 0.50 35 2JN_CB 59 TRP N 59 TRP CB -0.41 . . 0.50 36 2JN_CB 61 ILE N 61 ILE CB -0.88 . . 0.50 37 2JN_CB 62 LEU N 62 LEU CB -0.53 . . 0.50 38 2JN_CB 66 ASP N 66 ASP CB -0.53 . . 0.50 39 2JN_CB 67 VAL N 67 VAL CB -0.93 . . 0.50 40 2JN_CB 68 TYR N 68 TYR CB -0.91 . . 0.50 41 2JN_CB 75 ALA N 75 ALA CB 0.29 . . 0.50 42 2JN_CB 76 ASP N 76 ASP CB -0.69 . . 0.50 43 2JN_CB 77 ARG N 77 ARG CB -0.23 . . 0.50 44 2JN_CB 78 VAL N 78 VAL CB -1.16 . . 0.50 45 2JN_CB 79 VAL N 79 VAL CB -0.41 . . 0.50 46 2JN_CB 80 PHE N 80 PHE CB -0.50 . . 0.50 47 2JN_CB 81 ASN N 81 ASN CB -0.27 . . 0.50 48 2JN_CB 82 GLU N 82 GLU CB -1.11 . . 0.50 49 2JN_CB 83 ASN N 83 ASN CB -0.97 . . 0.50 50 2JN_CB 84 ASN N 84 ASN CB -0.32 . . 0.50 51 2JN_CB 85 GLN N 85 GLN CB -0.63 . . 0.50 52 2JN_CB 86 LEU N 86 LEU CB -1.02 . . 0.50 53 2JN_CB 87 ALA N 87 ALA CB -0.68 . . 0.50 54 2JN_CB 89 VAL N 89 VAL CB -0.14 . . 0.50 55 2JN_CB 90 ILE N 90 ILE CB -0.41 . . 0.50 56 2JN_CB 92 HIS N 92 HIS CB -0.83 . . 0.50 57 2JN_CB 95 ALA N 95 ALA CB -0.54 . . 0.50 58 2JN_CB 98 ASN N 98 ASN CB -1.31 . . 0.50 59 2JN_CB 99 ASN N 99 ASN CB -0.73 . . 0.50 60 2JN_CB 100 PHE N 100 PHE CB -0.47 . . 0.50 61 2JN_CB 101 VAL N 101 VAL CB -0.71 . . 0.50 62 2JN_CB 102 GLU N 102 GLU CB -0.77 . . 0.50 63 2JN_CB 103 CYS N 103 CYS CB -0.37 . . 0.50 stop_ save_ save_2JN_CO _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D CO-coupled ct-[15N,1H]-TROSY-HNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JN_CO 3 ASP N 3 ASP C -0.06 . . 0.50 2 2JN_CO 4 TYR N 4 TYR C -0.38 . . 0.50 3 2JN_CO 5 THR N 5 THR C -0.14 . . 0.50 4 2JN_CO 6 CYS N 6 CYS C 0.03 . . 0.50 5 2JN_CO 7 GLY N 7 GLY C 0.76 . . 0.50 6 2JN_CO 8 SER N 8 SER C -0.55 . . 0.50 7 2JN_CO 9 ASN N 9 ASN C 0.16 . . 0.50 8 2JN_CO 10 CYS N 10 CYS C -0.15 . . 0.50 9 2JN_CO 11 TYR N 11 TYR C -0.17 . . 0.50 10 2JN_CO 12 SER N 12 SER C -0.16 . . 0.50 11 2JN_CO 14 SER N 14 SER C -0.30 . . 0.50 12 2JN_CO 15 ASP N 15 ASP C 0.19 . . 0.50 13 2JN_CO 16 VAL N 16 VAL C -0.05 . . 0.50 14 2JN_CO 17 SER N 17 SER C 0.19 . . 0.50 15 2JN_CO 18 THR N 18 THR C -0.10 . . 0.50 16 2JN_CO 19 ALA N 19 ALA C 0.10 . . 0.50 17 2JN_CO 20 GLN N 20 GLN C 0.07 . . 0.50 18 2JN_CO 21 ALA N 21 ALA C -0.04 . . 0.50 19 2JN_CO 22 ALA N 22 ALA C 0.11 . . 0.50 20 2JN_CO 23 GLY N 23 GLY C 0.42 . . 0.50 21 2JN_CO 24 TYR N 24 TYR C -0.26 . . 0.50 22 2JN_CO 25 LYS N 25 LYS C 0.04 . . 0.50 23 2JN_CO 26 LEU N 26 LEU C 0.06 . . 0.50 24 2JN_CO 27 HIS N 27 HIS C 0.12 . . 0.50 25 2JN_CO 28 GLU N 28 GLU C 0.01 . . 0.50 26 2JN_CO 29 ASP N 29 ASP C -0.50 . . 0.50 27 2JN_CO 30 GLY N 30 GLY C 0.31 . . 0.50 28 2JN_CO 31 GLU N 31 GLU C -0.20 . . 0.50 29 2JN_CO 32 THR N 32 THR C -0.47 . . 0.50 30 2JN_CO 33 VAL N 33 VAL C -0.60 . . 0.50 31 2JN_CO 34 GLY N 34 GLY C 0.24 . . 0.50 32 2JN_CO 37 SER N 37 SER C 0.18 . . 0.50 33 2JN_CO 38 TYR N 38 TYR C 0.19 . . 0.50 34 2JN_CO 40 HIS N 40 HIS C -0.13 . . 0.50 35 2JN_CO 42 TYR N 42 TYR C -0.04 . . 0.50 36 2JN_CO 43 ASN N 43 ASN C 0.03 . . 0.50 37 2JN_CO 45 TYR N 45 TYR C 0.07 . . 0.50 38 2JN_CO 46 GLU N 46 GLU C -0.10 . . 0.50 39 2JN_CO 47 GLY N 47 GLY C 0.19 . . 0.50 40 2JN_CO 48 PHE N 48 PHE C 0.46 . . 0.50 41 2JN_CO 49 ASP N 49 ASP C 0.23 . . 0.50 42 2JN_CO 50 PHE N 50 PHE C 0.11 . . 0.50 43 2JN_CO 51 SER N 51 SER C -0.40 . . 0.50 44 2JN_CO 52 VAL N 52 VAL C -0.06 . . 0.50 45 2JN_CO 53 SER N 53 SER C -0.18 . . 0.50 46 2JN_CO 54 SER N 54 SER C 0.18 . . 0.50 47 2JN_CO 56 TYR N 56 TYR C -0.04 . . 0.50 48 2JN_CO 57 TYR N 57 TYR C -0.48 . . 0.50 49 2JN_CO 58 GLU N 58 GLU C -0.12 . . 0.50 50 2JN_CO 59 TRP N 59 TRP C -1.04 . . 0.50 51 2JN_CO 61 ILE N 61 ILE C 0.14 . . 0.50 52 2JN_CO 62 LEU N 62 LEU C -0.18 . . 0.50 53 2JN_CO 63 SER N 63 SER C -0.23 . . 0.50 54 2JN_CO 64 SER N 64 SER C -0.48 . . 0.50 55 2JN_CO 65 GLY N 65 GLY C -0.09 . . 0.50 56 2JN_CO 66 ASP N 66 ASP C 0.31 . . 0.50 57 2JN_CO 67 VAL N 67 VAL C 0.17 . . 0.50 58 2JN_CO 68 TYR N 68 TYR C 0.17 . . 0.50 59 2JN_CO 69 SER N 69 SER C -1.49 . . 0.50 60 2JN_CO 74 GLY N 74 GLY C 0.58 . . 0.50 61 2JN_CO 75 ALA N 75 ALA C -1.54 . . 0.50 62 2JN_CO 76 ASP N 76 ASP C -0.39 . . 0.50 63 2JN_CO 77 ARG N 77 ARG C -0.65 . . 0.50 64 2JN_CO 78 VAL N 78 VAL C 0.47 . . 0.50 65 2JN_CO 79 VAL N 79 VAL C -0.09 . . 0.50 66 2JN_CO 80 PHE N 80 PHE C -0.25 . . 0.50 67 2JN_CO 81 ASN N 81 ASN C -0.72 . . 0.50 68 2JN_CO 82 GLU N 82 GLU C -1.03 . . 0.50 69 2JN_CO 83 ASN N 83 ASN C -0.15 . . 0.50 70 2JN_CO 84 ASN N 84 ASN C 0.30 . . 0.50 71 2JN_CO 85 GLN N 85 GLN C 0.07 . . 0.50 72 2JN_CO 86 LEU N 86 LEU C 0.27 . . 0.50 73 2JN_CO 87 ALA N 87 ALA C -0.18 . . 0.50 74 2JN_CO 88 GLY N 88 GLY C -0.15 . . 0.50 75 2JN_CO 89 VAL N 89 VAL C -0.07 . . 0.50 76 2JN_CO 90 ILE N 90 ILE C -0.39 . . 0.50 77 2JN_CO 91 THR N 91 THR C -0.97 . . 0.50 78 2JN_CO 92 HIS N 92 HIS C -0.28 . . 0.50 79 2JN_CO 93 THR N 93 THR C 0.53 . . 0.50 80 2JN_CO 94 GLY N 94 GLY C 0.08 . . 0.50 81 2JN_CO 95 ALA N 95 ALA C -0.07 . . 0.50 82 2JN_CO 96 SER N 96 SER C -0.45 . . 0.50 83 2JN_CO 97 GLY N 97 GLY C 0.31 . . 0.50 84 2JN_CO 99 ASN N 99 ASN C -0.01 . . 0.50 85 2JN_CO 100 PHE N 100 PHE C -0.51 . . 0.50 86 2JN_CO 101 VAL N 101 VAL C -0.35 . . 0.50 87 2JN_CO 102 GLU N 102 GLU C 0.24 . . 0.50 88 2JN_CO 103 CYS N 103 CYS C 0.27 . . 0.50 89 2JN_CO 104 THR N 104 THR C -0.37 . . 0.50 stop_ save_