data_16582 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in human Ubiquitin ; _BMRB_accession_number 16582 _BMRB_flat_file_name bmr16582.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" 643 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-08 orginal author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15410 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for human ubiquitin' 15907 '1J coupling constants related to the Ca carbons in human Ubiquitin' 16579 '2J coupling constants in oxidised Flavodxin' 16580 '2J coupling constants in Ribonuclease T1' 16581 '2J coupling constants in Frataxin C-terminal domain' 16583 '2J coupling constants in Xylanase' 16584 '2J coupling constants in DFPase' 6466 '1H, 15N, 13C chemical-shift assignments for human Ubiquitin' 6488 '3J(HA-N) and 3J(HN-CO) coupling constants in Ubiquitin' 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_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 Ubiquitin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $Ubiquitin stop_ _System_molecular_weight 8565.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'protein degradation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubiquitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass 8565.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'protein degradation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 11505 entity 100.00 76 98.68 98.68 3.54e-45 BMRB 11547 ubiquitin 100.00 76 98.68 98.68 3.54e-45 BMRB 15047 denatured_ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 15410 Ubi 100.00 76 100.00 100.00 6.54e-46 BMRB 15689 UBB 98.68 103 98.67 100.00 6.21e-44 BMRB 15907 Ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 16228 ubiquitin 100.00 76 97.37 98.68 1.73e-44 BMRB 16626 Ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 16895 UBB+1 98.68 103 98.67 100.00 6.21e-44 BMRB 17181 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 17439 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 17769 Ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 17919 entity 100.00 76 100.00 100.00 6.54e-46 BMRB 18582 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 18583 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 18584 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 18610 Ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 18611 Ubiquitin_A_state 100.00 76 100.00 100.00 6.54e-46 BMRB 18737 UBIQUITIN 100.00 76 100.00 100.00 6.54e-46 BMRB 19406 entity 100.00 152 100.00 100.00 6.43e-45 BMRB 19412 entity 100.00 152 100.00 100.00 6.43e-45 BMRB 25070 Ubiquitin 100.00 79 100.00 100.00 6.66e-46 BMRB 25123 Ubiquitin 94.74 72 100.00 100.00 8.52e-43 BMRB 25601 entity_1 100.00 76 97.37 97.37 5.31e-44 BMRB 26604 Ubiquitin_(microcrystalline) 100.00 76 100.00 100.00 6.54e-46 BMRB 4245 ubiquitin 100.00 76 100.00 100.00 6.54e-46 BMRB 4375 Ubiquitin 100.00 76 100.00 100.00 6.54e-46 PDB 1AAR "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)" 100.00 76 100.00 100.00 6.54e-46 PDB 1CMX "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases" 98.68 76 100.00 100.00 4.40e-45 PDB 1D3Z "Ubiquitin Nmr Structure" 100.00 76 100.00 100.00 6.54e-46 PDB 1F9J "Structure Of A New Crystal Form Of Tetraubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 1G6J "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles" 98.68 76 100.00 100.00 7.58e-45 PDB 1GJZ "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin" 67.11 53 100.00 100.00 3.14e-26 PDB 1NBF "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 4.40e-45 PDB 1OGW "Synthetic Ubiquitin With Fluoro-Leu At 50 And 67" 100.00 76 97.37 97.37 2.65e-44 PDB 1P3Q "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9" 100.00 76 100.00 100.00 6.54e-46 PDB 1Q5W "Ubiquitin Recognition By Npl4 Zinc-Fingers" 100.00 76 100.00 100.00 6.54e-46 PDB 1S1Q "Tsg101(Uev) Domain In Complex With Ubiquitin" 98.68 76 100.00 100.00 7.58e-45 PDB 1TBE "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed" 100.00 76 100.00 100.00 6.54e-46 PDB 1UBI "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1" 100.00 76 100.00 100.00 6.54e-46 PDB 1UBQ "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution" 100.00 76 100.00 100.00 6.54e-46 PDB 1UZX "A Complex Of The Vps23 Uev With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 1V80 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 100.00 76 100.00 100.00 6.54e-46 PDB 1V81 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 100.00 76 100.00 100.00 6.54e-46 PDB 1VX7 "Cryo-em Structure Of The Plasmodium Falciparum 80s Ribosome Bound To The Anti-protozoan Drug Emetine, Large Subunit (protein On" 100.00 128 98.68 100.00 1.38e-45 PDB 1WR6 "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 1WRD "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 98.68 75 100.00 100.00 4.28e-45 PDB 1XQQ "Simultaneous Determination Of Protein Structure And Dynamics" 100.00 76 100.00 100.00 6.54e-46 PDB 1YD8 "Complex Of Human Gga3 Gat Domain And Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 1YIW "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin" 100.00 76 98.68 100.00 2.84e-45 PDB 1YJ1 "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin" 100.00 76 97.37 98.68 3.36e-44 PDB 1YX5 "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX" 100.00 98 100.00 100.00 2.31e-46 PDB 1YX6 "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX" 100.00 98 100.00 100.00 2.31e-46 PDB 1ZGU "Solution Structure Of The Human Mms2-Ubiquitin Complex" 100.00 76 98.68 100.00 1.56e-45 PDB 2AYO "Structure Of Usp14 Bound To Ubquitin Aldehyde" 98.68 76 100.00 100.00 4.40e-45 PDB 2BGF "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data" 100.00 76 100.00 100.00 6.54e-46 PDB 2C7M "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2C7N "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2D3G "Double Sided Ubiquitin Binding Of Hrs-Uim" 100.00 76 100.00 100.00 6.54e-46 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2DX5 "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2FCM "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 3.36e-44 PDB 2FCN "X-Ray Crystal Structure Of A Chemically Synthesized [d-Val35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 3.36e-44 PDB 2FCQ "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group" 100.00 76 98.68 100.00 2.84e-45 PDB 2FCS "X-Ray Crystal Structure Of A Chemically Synthesized [l-Gln35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 3.83e-44 PDB 2FID "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2FIF "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 2G45 "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2GMI Mms2UBC13~UBIQUITIN 100.00 76 100.00 100.00 6.54e-46 PDB 2HD5 "Usp2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2HTH "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain" 100.00 76 100.00 100.00 6.54e-46 PDB 2IBI "Covalent Ubiquitin-Usp2 Complex" 98.68 75 100.00 100.00 4.28e-45 PDB 2J7Q "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U" 98.68 75 100.00 100.00 4.28e-45 PDB 2JF5 "Crystal Structure Of Lys63-Linked Di-Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 100.00 76 100.00 100.00 6.54e-46 PDB 2JY6 "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain" 100.00 76 100.00 100.00 6.54e-46 PDB 2JZZ "Solid-State Nmr Structure Of Microcrystalline Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2K25 "Automated Nmr Structure Of The Ubb By Fapsy" 98.68 103 98.67 100.00 6.21e-44 PDB 2K39 "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution" 100.00 76 100.00 100.00 6.54e-46 PDB 2K6D "Cin85 Sh3-C Domain In Complex With Ubiquitin" 98.68 76 100.00 100.00 3.99e-45 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KDE "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" 100.00 76 100.00 100.00 6.54e-46 PDB 2KDF "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" 100.00 76 100.00 100.00 6.54e-46 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 100.00 79 100.00 100.00 6.66e-46 PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 98.68 76 100.00 100.00 3.99e-45 PDB 2KLG "Pere Nmr Structure Of Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KN5 "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its " 100.00 76 100.00 100.00 6.54e-46 PDB 2KOX "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KTF "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2KX0 "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B" 98.68 103 98.67 100.00 6.21e-44 PDB 2L0F "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 100.00 76 100.00 100.00 6.54e-46 PDB 2L3Z "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2LD9 "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs" 100.00 77 100.00 100.00 7.92e-46 PDB 2LJ5 "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings" 100.00 76 100.00 100.00 6.54e-46 PDB 2LVO "Structure Of The Gp78cue Domain Bound To Monubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2LVP "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2LVQ "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2LZ6 "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 100.00 76 100.00 100.00 6.54e-46 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 100.00 78 100.00 100.00 5.38e-46 PDB 2MBH "Nmr Structure Of Eklf(22-40)/ubiquitin Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 2MBO "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl" 100.00 76 100.00 100.00 6.54e-46 PDB 2MBQ "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl" 100.00 76 100.00 100.00 6.54e-46 PDB 2MCN "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 100.00 76 100.00 100.00 6.54e-46 PDB 2MJ5 "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2MJB "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media" 100.00 76 100.00 100.00 6.54e-46 PDB 2MOR "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings" 100.00 76 100.00 100.00 6.54e-46 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 100.00 79 100.00 100.00 6.66e-46 PDB 2MRO "Structure Of The Complex Of Ubiquitin And The Uba Domain From Dna- Damage-inducible 1 Protein (ddi1)" 100.00 76 100.00 100.00 6.54e-46 PDB 2MSG "Solid-state Nmr Structure Of Ubiquitin" 94.74 72 100.00 100.00 8.52e-43 PDB 2MUR "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex" 100.00 78 100.00 100.00 5.38e-46 PDB 2MWS "Structure Of The Complex Of Ubiquitin And The Ubiquitin-like (ubl) Domain Of Ddi1" 100.00 76 98.68 98.68 4.40e-45 PDB 2N2K "Ensemble Structure Of The Closed State Of Lys63-linked Diubiquitin In The Absence Of A Ligand" 93.42 71 100.00 100.00 6.21e-42 PDB 2NR2 "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote" 100.00 76 100.00 100.00 6.54e-46 PDB 2O6V "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph" 100.00 76 100.00 100.00 6.54e-46 PDB 2OJR "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag" 100.00 111 100.00 100.00 2.29e-45 PDB 2OOB "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2PE9 "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso" 100.00 76 100.00 100.00 6.54e-46 PDB 2PEA "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten" 100.00 76 100.00 100.00 6.54e-46 PDB 2QHO "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 2RSU "Alternative Structure Of Ubiquitin" 100.00 76 98.68 98.68 3.54e-45 PDB 2RU6 "The Pure Alternative State Of Ubiquitin" 100.00 76 98.68 98.68 3.54e-45 PDB 2W9N "Crystal Structure Of Linear Di-Ubiquitin" 98.68 152 100.00 100.00 5.62e-44 PDB 2WDT "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme" 98.68 76 100.00 100.00 4.40e-45 PDB 2WWZ "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121" 100.00 76 100.00 100.00 6.54e-46 PDB 2WX0 "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21" 100.00 76 100.00 100.00 6.54e-46 PDB 2WX1 "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121" 100.00 76 100.00 100.00 6.54e-46 PDB 2XBB "Nedd4 Hect:ub Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 2XEW "Crystal Structure Of K11-Linked Diubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2XK5 "Crystal Structure Of K6-Linked Diubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2Y5B "Structure Of Usp21 In Complex With Linear Diubiquitin-Aldehyde" 98.68 152 100.00 100.00 4.15e-44 PDB 2Z59 "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 2ZCB "Crystal Structure Of Ubiquitin P37aP38A" 100.00 76 97.37 97.37 3.44e-44 PDB 2ZCC "Ubiquitin Crystallized Under High Pressure" 100.00 76 100.00 100.00 6.54e-46 PDB 2ZNV "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer" 100.00 77 100.00 100.00 7.42e-46 PDB 2ZVN "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group" 100.00 154 100.00 100.00 5.98e-45 PDB 2ZVO "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group" 100.00 154 100.00 100.00 5.98e-45 PDB 3A1Q "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 100.00 76 100.00 100.00 6.54e-46 PDB 3A9J "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 3A9K "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 3AI5 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein" 97.37 307 100.00 100.00 1.64e-41 PDB 3ALB "Cyclic Lys48-Linked Tetraubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3AUL "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation" 100.00 76 100.00 100.00 6.54e-46 PDB 3AXC "Crystal Structure Of Linear Diubiquitin" 100.00 154 100.00 100.00 5.98e-45 PDB 3B08 "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 100.00 152 100.00 100.00 6.43e-45 PDB 3B0A "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 100.00 152 100.00 100.00 6.43e-45 PDB 3BY4 "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 98.68 75 100.00 100.00 4.28e-45 PDB 3C0R "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 98.68 75 100.00 100.00 4.28e-45 PDB 3DVG "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin" 100.00 80 100.00 100.00 8.24e-46 PDB 3DVN "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin" 100.00 80 100.00 100.00 8.24e-46 PDB 3EEC "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct" 100.00 76 100.00 100.00 6.54e-46 PDB 3EFU "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct" 100.00 76 100.00 100.00 6.54e-46 PDB 3EHV "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct" 100.00 76 100.00 100.00 6.54e-46 PDB 3H1U "Structure Of Ubiquitin In Complex With Cd Ions" 100.00 76 100.00 100.00 6.54e-46 PDB 3H7P "Crystal Structure Of K63-Linked Di-Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3H7S "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture" 100.00 76 98.68 98.68 2.81e-43 PDB 3HM3 "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3I3T "Crystal Structure Of Covalent Ubiquitin-usp21 Complex" 98.68 75 100.00 100.00 4.28e-45 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 98.68 75 100.00 100.00 4.28e-45 PDB 3IHP "Covalent Ubiquitin-Usp5 Complex" 98.68 75 100.00 100.00 4.28e-45 PDB 3JSV "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 3JVZ E2~ubiquitin-Hect 100.00 81 100.00 100.00 7.68e-46 PDB 3JW0 E2~ubiquitin-Hect 100.00 81 100.00 100.00 7.68e-46 PDB 3K9O "The Crystal Structure Of E2-25k And Ubb+1 Complex" 98.68 96 100.00 100.00 1.27e-44 PDB 3K9P "The Crystal Structure Of E2-25k And Ubiquitin Complex" 100.00 79 100.00 100.00 6.66e-46 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 98.68 75 100.00 100.00 4.28e-45 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 98.68 75 100.00 100.00 4.28e-45 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 96.05 73 100.00 100.00 1.79e-43 PDB 3M3J "A New Crystal Form Of Lys48-Linked Diubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 98.68 76 100.00 100.00 4.40e-45 PDB 3MTN "Usp21 In Complex With A Ubiquitin-based, Usp21-specific Inhibitor" 88.16 85 98.51 98.51 1.47e-37 PDB 3N30 "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct" 100.00 76 100.00 100.00 6.54e-46 PDB 3N32 "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt" 100.00 76 100.00 100.00 6.54e-46 PDB 3NHE "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3NOB "Structure Of K11-linked Di-ubiquitin" 100.00 78 100.00 100.00 5.38e-46 PDB 3NS8 "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5" 100.00 76 100.00 100.00 6.54e-46 PDB 3O65 "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity" 98.68 76 100.00 100.00 4.40e-45 PDB 3OFI "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3OJ3 "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex" 100.00 79 100.00 100.00 6.66e-46 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 100.00 79 100.00 100.00 6.66e-46 PDB 3ONS "Crystal Structure Of Human Ubiquitin In A New Crystal Form" 94.74 72 100.00 100.00 8.52e-43 PDB 3PHD "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3PHW "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin" 98.68 75 100.00 100.00 4.28e-45 PDB 3PRM "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 98.68 75 100.00 100.00 4.28e-45 PDB 3PRP "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 98.68 75 100.00 100.00 4.28e-45 PDB 3PT2 "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin" 98.68 75 100.00 100.00 4.28e-45 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 100.00 79 100.00 100.00 6.66e-46 PDB 3Q3F "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas" 98.68 189 100.00 100.00 5.35e-44 PDB 3RUL "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes" 98.68 79 100.00 100.00 3.97e-45 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 100.00 76 100.00 100.00 6.54e-46 PDB 3TMP "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 4.40e-45 PDB 3U30 "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin" 100.00 172 100.00 100.00 6.89e-45 PDB 3UGB "Ubch5c~ubiquitin Conjugate" 100.00 76 100.00 100.00 6.54e-46 PDB 3VDZ "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms" 100.00 111 100.00 100.00 1.47e-45 PDB 3VFK "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier" 98.68 79 100.00 100.00 3.97e-45 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3VUW "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I" 100.00 76 100.00 100.00 6.54e-46 PDB 3VUX "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii" 100.00 76 100.00 100.00 6.54e-46 PDB 3VUY "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 3WWQ "Crystal Structure Of Faap20 Ubz Domain In Complex With Lys63-linked Diubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 3WXE "Crystal Structure Of Cyld Usp Domain (c596s) In Complex With Met1- Linked Diubiquitin" 94.74 148 100.00 100.00 9.19e-42 PDB 3WXF "Crystal Structure Of Cyld Usp Domain (c596s E674q) In Complex With Met1-linked Diubiquitin" 94.74 148 100.00 100.00 9.19e-42 PDB 3WXG "Crystal Structure Of Cyld Usp Domain (c596a) In Complex With Lys63- Linked Diubiquitin" 94.74 72 100.00 100.00 8.52e-43 PDB 3ZLZ "Lys6-linked Tri-ubiquitin" 100.00 76 98.68 100.00 1.56e-45 PDB 3ZNH "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl." 98.68 76 100.00 100.00 4.40e-45 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 100.00 81 100.00 100.00 7.68e-46 PDB 3ZNZ "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin" 100.00 152 100.00 100.00 6.43e-45 PDB 4A18 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 1" 100.00 129 97.37 98.68 2.69e-44 PDB 4A19 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 2" 100.00 129 97.37 98.68 2.69e-44 PDB 4A1B "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 3" 100.00 129 97.37 98.68 2.69e-44 PDB 4A1D "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 4" 100.00 129 97.37 98.68 2.69e-44 PDB 4ADX "The Cryo-em Structure Of The Archaeal 50s Ribosomal Subunit In Complex With Initiation Factor 6" 100.00 129 97.37 98.68 2.69e-44 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 100.00 80 100.00 100.00 6.85e-46 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex." 100.00 81 100.00 100.00 7.68e-46 PDB 4BBN "Nedd4 Hect-ub:ub Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 4BOS "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide" 100.00 76 100.00 100.00 6.54e-46 PDB 4BOZ "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4BVU "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate" 100.00 76 100.00 100.00 6.54e-46 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 100.00 156 100.00 100.00 7.65e-46 PDB 4CXD "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 100.00 128 100.00 100.00 4.55e-46 PDB 4D5L "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 100.00 156 100.00 100.00 7.65e-46 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 100.00 156 100.00 100.00 7.65e-46 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 76 100.00 100.00 6.54e-46 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 76 100.00 100.00 6.54e-46 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 98.68 76 100.00 100.00 3.99e-45 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 98.68 76 100.00 100.00 3.99e-45 PDB 4FJV "Crystal Structure Of Human Otubain2 And Ubiquitin Complex" 100.00 86 100.00 100.00 9.86e-46 PDB 4HXD "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases" 98.68 75 100.00 100.00 4.28e-45 PDB 4I6N "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester" 97.37 75 100.00 100.00 4.54e-44 PDB 4IG7 "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester" 98.68 75 100.00 100.00 4.28e-45 PDB 4IUM "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin" 98.68 76 100.00 100.00 4.40e-45 PDB 4JIO "Bro1 V Domain And Ubiquitin" 100.00 76 98.68 98.68 4.85e-45 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4K1R "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin" 100.00 81 100.00 100.00 1.15e-45 PDB 4K7S "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 6.54e-46 PDB 4K7U "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 6.54e-46 PDB 4K7W "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 6.54e-46 PDB 4KSK "Gumby/fam105b In Complex With Ubiquitin" 100.00 80 100.00 100.00 6.85e-46 PDB 4KSL "Gumby/fam105b In Complex With Linear Di-ubiquitin" 100.00 156 100.00 100.00 6.34e-45 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 100.00 156 100.00 100.00 7.65e-46 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 100.00 156 100.00 100.00 7.65e-46 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 100.00 156 100.00 100.00 7.65e-46 PDB 4LCD "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3" 97.37 83 100.00 100.00 1.79e-44 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 100.00 76 100.00 100.00 6.54e-46 PDB 4LJO "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 4LJP "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 4M0W "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4MDK "Cdc34-ubiquitin-cc0651 Complex" 100.00 80 100.00 100.00 6.85e-46 PDB 4MM3 "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 4.40e-45 PDB 4MSM "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin" 100.00 81 100.00 100.00 1.15e-45 PDB 4MSQ "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin" 100.00 81 100.00 100.00 1.15e-45 PDB 4NQK "Structure Of An Ubiquitin Complex" 100.00 79 100.00 100.00 1.20e-45 PDB 4NQL "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin" 100.00 77 100.00 100.00 7.42e-46 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 100.00 79 100.00 100.00 1.20e-45 PDB 4PIG "Crystal Structure Of The Ubiquitin K11s Mutant" 100.00 76 98.68 98.68 2.81e-45 PDB 4PIH "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin" 100.00 76 98.68 98.68 2.81e-45 PDB 4PIJ "X-ray Crystal Structure Of The K11s/k63s Double Mutant Of Ubiquitin" 98.68 75 97.33 97.33 7.90e-44 PDB 4PQT "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And" 100.00 81 100.00 100.00 1.15e-45 PDB 4R62 "Structure Of Rad6~ub" 100.00 78 100.00 100.00 6.20e-46 PDB 4RF0 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 98.68 75 100.00 100.00 4.28e-45 PDB 4RF1 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 98.68 75 100.00 100.00 4.28e-45 PDB 4S1Z "Crystal Structure Of Trabid Nzf1 In Complex With K29 Linked Di- Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4S22 "Crystal Structure Of K29 Linked Di-ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4UEL "Uch-l5 In Complex With Ubiquitin-propargyl Bound To The Rpn13 Deubad Domain" 98.68 76 100.00 100.00 4.40e-45 PDB 4UF6 "Uch-l5 In Complex With Ubiquitin-propargyl Bound To An Activating Fragment Of Ino80g" 98.68 76 100.00 100.00 4.40e-45 PDB 4UN2 "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4UPX "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 100.00 128 100.00 100.00 4.55e-46 PDB 4UQ1 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 100.00 128 100.00 100.00 4.55e-46 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 100.00 156 100.00 100.00 7.65e-46 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 100.00 156 100.00 100.00 7.65e-46 PDB 4V3K "Rnf38-ubch5b-ub Complex" 100.00 81 100.00 100.00 7.68e-46 PDB 4V3L "Rnf38-ub-ubch5b-ub Complex" 100.00 81 100.00 100.00 7.68e-46 PDB 4W20 "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)" 100.00 128 100.00 100.00 4.55e-46 PDB 4W22 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 4.55e-46 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 100.00 156 100.00 100.00 7.65e-46 PDB 4W25 "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 4.55e-46 PDB 4W27 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 4.55e-46 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 100.00 156 100.00 100.00 7.65e-46 PDB 4WHV Rnf8/ubc13c87k~ub 100.00 83 100.00 100.00 1.61e-45 PDB 4WLR "Crystal Structure Of Much37-hrpn13 Ctd-hub Complex" 100.00 76 100.00 100.00 6.54e-46 PDB 4WUR "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4WZP "Ser65 Phosphorylated Ubiquitin, Major Conformation" 100.00 76 98.68 98.68 4.64e-45 PDB 4XKL "Crystal Structure Of Ndp52 Zf2 In Complex With Mono-ubiquitin" 100.00 80 100.00 100.00 1.02e-45 PDB 4XOF "Observing The Overall Rocking Motion Of A Protein In A Crystal - Orthorhombic Ubiquitin Crystals Without Zinc." 100.00 76 100.00 100.00 6.54e-46 PDB 4XOK "Observing The Overall Rocking Motion Of A Protein In A Crystal." 100.00 76 100.00 100.00 6.54e-46 PDB 4XOL "Observing The Overall Rocking Motion Of A Protein In A Crystal - Cubic Ubiquitin Crystals." 100.00 76 100.00 100.00 6.54e-46 PDB 4XYZ "Crystal Structure Of K33 Linked Di-ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4Y1H "Crystal Structure Of K33 Linked Tri-ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4Z9S "Non-covalent Assembly Of Monoubiquitin That Mimics K11 Poly-ubiquitin" 100.00 76 100.00 100.00 6.54e-46 PDB 4ZFR "Catalytic Domain Of Sst2 F403a Mutant Bound To Ubiquitin" 100.00 81 100.00 100.00 1.15e-45 PDB 4ZFT "Catalytic Domain Of Sst2 F403w Mutant Bound To Ubiquitin" 100.00 81 100.00 100.00 1.15e-45 PDB 4ZPZ "Crystal Structure Of Semi-synthetic Ubiquitin With Phospho-ser65 And Ala46cys" 100.00 76 97.37 97.37 1.81e-44 PDB 5A5B "Structure Of The 26s Proteasome-ubp6 Complex" 98.68 76 100.00 100.00 4.40e-45 PDB 5AF4 "Structure Of Lys33-linked Diub" 100.00 76 98.68 100.00 1.56e-45 PDB 5AF5 "Structure Of Lys33-linked Triub S.g. P 212121" 96.05 73 98.63 100.00 5.42e-43 PDB 5AF6 "Structure Of Lys33-linked Diub Bound To Trabid Nzf1" 100.00 76 98.68 100.00 1.56e-45 PDB 5AIT "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" 100.00 76 100.00 100.00 6.54e-46 PDB 5AIU "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" 100.00 76 100.00 100.00 6.54e-46 PDB 5CAW "Structure Of Pediculus Humanus Parkin Bound To Phospho-ubiquitin" 98.68 76 98.67 98.67 2.77e-44 DBJ BAA03983 "polyubiquitin [Rattus norvegicus]" 100.00 305 100.00 100.00 3.25e-43 DBJ BAA09860 "polyubiquitin [Homo sapiens]" 100.00 611 98.68 98.68 1.53e-40 DBJ BAA11842 "ubiquitin [Cavia porcellus]" 100.00 311 100.00 100.00 3.52e-43 DBJ BAA11843 "ubiquitin extention protein [Cavia porcellus]" 100.00 156 100.00 100.00 7.65e-46 DBJ BAA23486 "polyubiquitin [Homo sapiens]" 100.00 609 98.68 98.68 8.23e-41 EMBL CAA25706 "unnamed protein product [Saccharomyces cerevisiae]" 50.00 191 100.00 100.00 4.38e-16 EMBL CAA26488 "unnamed protein product [Gallus gallus]" 100.00 157 98.68 98.68 3.90e-44 EMBL CAA28495 "ubiquitin [Homo sapiens]" 100.00 229 100.00 100.00 5.18e-44 EMBL CAA30183 "unnamed protein product [Dictyostelium discoideum]" 100.00 128 97.37 97.37 7.90e-44 EMBL CAA30815 "unnamed protein product [Cricetulus sp.]" 93.42 223 100.00 100.00 5.43e-40 GB AAA02769 "polyprotein [Bovine viral diarrhea virus 1-Osloss]" 98.68 3975 97.33 100.00 2.69e-39 GB AAA28154 "polyubiquitin [Caenorhabditis elegans]" 100.00 838 97.37 98.68 1.06e-39 GB AAA28997 "ubiquitin [Drosophila melanogaster]" 100.00 231 100.00 100.00 4.85e-44 GB AAA28998 "ubiquitin-hybrid protein precursor [Drosophila melanogaster]" 100.00 156 100.00 100.00 1.42e-45 GB AAA28999 "ubiquitin, partial [Drosophila melanogaster]" 100.00 76 100.00 100.00 6.54e-46 PIR I50437 "polyubiquitin 4 - chicken [Gallus gallus]" 100.00 305 100.00 100.00 3.25e-43 PIR I51568 "polyubiquitin - African clawed frog (fragment)" 100.00 167 100.00 100.00 1.00e-44 PIR I65237 "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat" 100.00 128 100.00 100.00 4.55e-46 PIR JN0790 "ubiquitin/ribosomal protein CEP52 fusion protein - Leishmania major" 100.00 128 97.37 98.68 3.43e-45 PIR S13928 "ubiquitin precursor - chicken [Gallus gallus]" 100.00 229 100.00 100.00 5.35e-44 PRF 0412265A ubiquitin 98.68 75 98.67 98.67 1.80e-44 PRF 1101405A "ubiquitin precursor" 50.00 191 100.00 100.00 4.33e-16 PRF 1212243A "ubiquitin S1" 100.00 76 100.00 100.00 6.54e-46 PRF 1212243B "ubiquitin S5" 92.11 77 98.57 98.57 1.12e-40 PRF 1212243C "ubiquitin S3" 100.00 76 100.00 100.00 6.54e-46 REF NP_001005123 "ubiquitin-60S ribosomal protein L40 [Xenopus (Silurana) tropicalis]" 100.00 128 100.00 100.00 4.55e-46 REF NP_001006688 "ubiquitin C [Xenopus (Silurana) tropicalis]" 100.00 609 100.00 100.00 1.45e-41 REF NP_001009117 "polyubiquitin-B [Pan troglodytes]" 100.00 229 100.00 100.00 5.18e-44 REF NP_001009202 "polyubiquitin-B [Ovis aries]" 100.00 305 98.68 100.00 5.72e-43 REF NP_001009286 "ubiquitin-60S ribosomal protein L40 [Ovis aries]" 100.00 128 100.00 100.00 4.55e-46 SP P0C273 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 4.55e-46 SP P0C275 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 4.55e-46 SP P0C276 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 4.55e-46 SP P0CG47 "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 100.00 229 100.00 100.00 5.18e-44 SP P0CG48 "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 100.00 685 100.00 100.00 2.13e-41 TPD FAA00319 "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" 100.00 456 97.37 98.68 1.11e-40 TPE CEL68433 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Neospora caninum Liverpool]" 100.00 129 98.68 100.00 1.60e-45 TPE CEL70397 "TPA: Ubiquitin, related [Neospora caninum Liverpool]" 100.00 535 98.68 100.00 3.17e-41 TPE CEL75964 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Toxoplasma gondii VEG]" 100.00 129 98.68 100.00 1.60e-45 TPE CEL78064 "TPA: polyubiquitin, putative [Toxoplasma gondii VEG]" 100.00 307 98.68 100.00 1.16e-42 TPG DAA18802 "TPA: polyubiquitin [Bos taurus]" 100.00 305 100.00 100.00 3.43e-43 TPG DAA20663 "TPA: ubiquitin C [Bos taurus]" 98.68 314 98.67 100.00 1.30e-41 TPG DAA20672 "TPA: ubiquitin B-like [Bos taurus]" 100.00 77 98.68 98.68 4.88e-45 TPG DAA24675 "TPA: 40S ribosomal protein S27a [Bos taurus]" 100.00 156 100.00 100.00 7.65e-46 TPG DAA28295 "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]" 100.00 128 100.00 100.00 4.55e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ubiquitin 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 _Vector_name _Details $Ubiquitin 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET His-tagged stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'EU-NMR sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 1.0 mM 'natural abundance' HEPES 50 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'purchased from VLI Research Inc., Malvern, PA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 1.2 mM '[U-100% 13C; U-100% 15N; 70% 2H]' 'potassium phosphate' 50 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' 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 'cryogenic triple-resonance z-gradient probes' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'cryogenic triple-resonance z-gradient probes' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details 'cryogenic triple-resonance z-gradient probes' 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_2 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_2 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_2 save_ save_3D_Ha-coupled_[15N,1H]-TROSY-iHNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _Sample_label $sample_1 save_ save_3D_Cb-coupled_[15N,1H]-TROSY-iHNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-iHNCA' _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_1 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_1 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_2 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, 105-ms 13C and 185-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; 185-ms 15N evolution ; 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; 185-ms 15N evolution ; save_ save_3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _BMRB_pulse_sequence_accession_number . _Details ; Permi, 2003; 2JN_HA measurement ; save_ save_3D_Cb-coupled_(15N_1H)-TROSY-iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cb-coupled [15N,1H]-TROSY-iHNCA' _BMRB_pulse_sequence_accession_number . _Details '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; 55-ms 13C and 95-ms 15N evolution ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 298 . 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_2 _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 2JCAN_ 1 MET CA 2 GLN N -8.93 . . 0.50 2 2JCAN_ 2 GLN CA 3 ILE N -9.06 . . 0.50 3 2JCAN_ 3 ILE CA 4 PHE N -8.59 . . 0.50 4 2JCAN_ 4 PHE CA 5 VAL N -9.08 . . 0.50 5 2JCAN_ 5 VAL CA 6 LYS N -8.08 . . 0.50 6 2JCAN_ 6 LYS CA 7 THR N -8.91 . . 0.50 7 2JCAN_ 7 THR CA 8 LEU N -8.01 . . 0.50 8 2JCAN_ 8 LEU CA 9 THR N -6.21 . . 0.50 9 2JCAN_ 9 THR CA 10 GLY N -6.00 . . 0.50 10 2JCAN_ 10 GLY CA 11 LYS N -6.31 . . 0.50 11 2JCAN_ 11 LYS CA 12 THR N -8.93 . . 0.50 12 2JCAN_ 12 THR CA 13 ILE N -8.13 . . 0.50 13 2JCAN_ 13 ILE CA 14 THR N -8.38 . . 0.50 14 2JCAN_ 14 THR CA 15 LEU N -8.27 . . 0.50 15 2JCAN_ 15 LEU CA 16 GLU N -9.10 . . 0.50 16 2JCAN_ 16 GLU CA 17 VAL N -8.61 . . 0.50 17 2JCAN_ 17 VAL CA 18 GLU N -8.34 . . 0.50 18 2JCAN_ 19 PRO CA 20 SER N -6.71 . . 0.50 19 2JCAN_ 20 SER CA 21 ASP N -5.66 . . 0.50 20 2JCAN_ 21 ASP CA 22 THR N -9.55 . . 0.50 21 2JCAN_ 22 THR CA 23 ILE N -8.30 . . 0.50 22 2JCAN_ 24 GLU CA 25 ASN N -5.98 . . 0.50 23 2JCAN_ 25 ASN CA 26 VAL N -6.43 . . 0.50 24 2JCAN_ 26 VAL CA 27 LYS N -6.20 . . 0.50 25 2JCAN_ 27 LYS CA 28 ALA N -5.66 . . 0.50 26 2JCAN_ 28 ALA CA 29 LYS N -6.24 . . 0.50 27 2JCAN_ 29 LYS CA 30 ILE N -6.21 . . 0.50 28 2JCAN_ 30 ILE CA 31 GLN N -6.03 . . 0.50 29 2JCAN_ 31 GLN CA 32 ASP N -6.10 . . 0.50 30 2JCAN_ 32 ASP CA 33 LYS N -6.39 . . 0.50 31 2JCAN_ 33 LYS CA 34 GLU N -6.42 . . 0.50 32 2JCAN_ 34 GLU CA 35 GLY N -6.27 . . 0.50 33 2JCAN_ 35 GLY CA 36 ILE N -6.43 . . 0.50 34 2JCAN_ 38 PRO CA 39 ASP N -6.32 . . 0.50 35 2JCAN_ 39 ASP CA 40 GLN N -6.13 . . 0.50 36 2JCAN_ 40 GLN CA 41 GLN N -6.25 . . 0.50 37 2JCAN_ 41 GLN CA 42 ARG N -9.24 . . 0.50 38 2JCAN_ 42 ARG CA 43 LEU N -8.67 . . 0.50 39 2JCAN_ 43 LEU CA 44 ILE N -9.42 . . 0.50 40 2JCAN_ 44 ILE CA 45 PHE N -8.42 . . 0.50 41 2JCAN_ 45 PHE CA 46 ALA N -7.69 . . 0.50 42 2JCAN_ 46 ALA CA 47 GLY N -6.74 . . 0.50 43 2JCAN_ 47 GLY CA 48 LYS N -6.33 . . 0.50 44 2JCAN_ 48 LYS CA 49 GLN N -8.99 . . 0.50 45 2JCAN_ 49 GLN CA 50 LEU N -8.69 . . 0.50 46 2JCAN_ 50 LEU CA 51 GLU N -8.93 . . 0.50 47 2JCAN_ 51 GLU CA 52 ASP N -9.35 . . 0.50 48 2JCAN_ 53 GLY CA 54 ARG N -6.14 . . 0.50 49 2JCAN_ 54 ARG CA 55 THR N -9.20 . . 0.50 50 2JCAN_ 55 THR CA 56 LEU N -8.48 . . 0.50 51 2JCAN_ 56 LEU CA 57 SER N -6.42 . . 0.50 52 2JCAN_ 57 SER CA 58 ASP N -5.29 . . 0.50 53 2JCAN_ 58 ASP CA 59 TYR N -6.17 . . 0.50 54 2JCAN_ 59 TYR CA 60 ASN N -6.20 . . 0.50 55 2JCAN_ 60 ASN CA 61 ILE N -6.84 . . 0.50 56 2JCAN_ 61 ILE CA 62 GLN N -8.76 . . 0.50 57 2JCAN_ 62 GLN CA 63 LYS N -8.46 . . 0.50 58 2JCAN_ 63 LYS CA 64 GLU N -9.18 . . 0.50 59 2JCAN_ 64 GLU CA 65 SER N -5.98 . . 0.50 60 2JCAN_ 65 SER CA 66 THR N -9.23 . . 0.50 61 2JCAN_ 66 THR CA 67 LEU N -8.18 . . 0.50 62 2JCAN_ 67 LEU CA 68 HIS N -8.65 . . 0.50 63 2JCAN_ 68 HIS CA 69 LEU N -9.29 . . 0.50 64 2JCAN_ 69 LEU CA 70 VAL N -8.63 . . 0.50 65 2JCAN_ 70 VAL CA 71 LEU N -8.08 . . 0.50 66 2JCAN_ 71 LEU CA 72 ARG N -8.61 . . 0.50 67 2JCAN_ 72 ARG CA 73 LEU N -8.17 . . 0.50 68 2JCAN_ 73 LEU CA 74 ARG N -8.13 . . 0.50 69 2JCAN_ 74 ARG CA 75 GLY N -8.23 . . 0.50 70 2JCAN_ 75 GLY CA 76 GLY N -8.16 . . 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_2 _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 2 GLN H 2 GLN CA 1.39 . . 0.50 2 2JHNCA 3 ILE H 3 ILE CA 1.66 . . 0.50 3 2JHNCA 4 PHE H 4 PHE CA 0.97 . . 0.50 4 2JHNCA 5 VAL H 5 VAL CA 1.61 . . 0.50 5 2JHNCA 6 LYS H 6 LYS CA 1.79 . . 0.50 6 2JHNCA 7 THR H 7 THR CA 1.83 . . 0.50 7 2JHNCA 8 LEU H 8 LEU CA 2.72 . . 0.50 8 2JHNCA 9 THR H 9 THR CA 2.14 . . 0.50 9 2JHNCA 10 GLY H 10 GLY CA 2.18 . . 0.50 10 2JHNCA 11 LYS H 11 LYS CA 1.88 . . 0.50 11 2JHNCA 12 THR H 12 THR CA 1.46 . . 0.50 12 2JHNCA 13 ILE H 13 ILE CA 1.43 . . 0.50 13 2JHNCA 14 THR H 14 THR CA 1.55 . . 0.50 14 2JHNCA 15 LEU H 15 LEU CA 1.44 . . 0.50 15 2JHNCA 16 GLU H 16 GLU CA 1.43 . . 0.50 16 2JHNCA 17 VAL H 17 VAL CA 1.52 . . 0.50 17 2JHNCA 18 GLU H 18 GLU CA 1.13 . . 0.50 18 2JHNCA 20 SER H 20 SER CA 2.41 . . 0.50 19 2JHNCA 21 ASP H 21 ASP CA 1.78 . . 0.50 20 2JHNCA 22 THR H 22 THR CA 1.81 . . 0.50 21 2JHNCA 23 ILE H 23 ILE CA 3.19 . . 0.50 22 2JHNCA 25 ASN H 25 ASN CA 2.13 . . 0.50 23 2JHNCA 26 VAL H 26 VAL CA 2.44 . . 0.50 24 2JHNCA 27 LYS H 27 LYS CA 2.80 . . 0.50 25 2JHNCA 28 ALA H 28 ALA CA 2.74 . . 0.50 26 2JHNCA 29 LYS H 29 LYS CA 2.47 . . 0.50 27 2JHNCA 30 ILE H 30 ILE CA 2.62 . . 0.50 28 2JHNCA 31 GLN H 31 GLN CA 2.77 . . 0.50 29 2JHNCA 32 ASP H 32 ASP CA 2.67 . . 0.50 30 2JHNCA 33 LYS H 33 LYS CA 2.31 . . 0.50 31 2JHNCA 34 GLU H 34 GLU CA 1.34 . . 0.50 32 2JHNCA 35 GLY H 35 GLY CA 2.03 . . 0.50 33 2JHNCA 36 ILE H 36 ILE CA 2.05 . . 0.50 34 2JHNCA 39 ASP H 39 ASP CA 2.24 . . 0.50 35 2JHNCA 40 GLN H 40 GLN CA 1.85 . . 0.50 36 2JHNCA 41 GLN H 41 GLN CA 1.81 . . 0.50 37 2JHNCA 42 ARG H 42 ARG CA 1.32 . . 0.50 38 2JHNCA 43 LEU H 43 LEU CA 1.43 . . 0.50 39 2JHNCA 44 ILE H 44 ILE CA 0.99 . . 0.50 40 2JHNCA 45 PHE H 45 PHE CA 2.22 . . 0.50 41 2JHNCA 46 ALA H 46 ALA CA 2.99 . . 0.50 42 2JHNCA 47 GLY H 47 GLY CA 2.60 . . 0.50 43 2JHNCA 48 LYS H 48 LYS CA 1.36 . . 0.50 44 2JHNCA 49 GLN H 49 GLN CA 1.99 . . 0.50 45 2JHNCA 50 LEU H 50 LEU CA 2.17 . . 0.50 46 2JHNCA 51 GLU H 51 GLU CA 1.55 . . 0.50 47 2JHNCA 52 ASP H 52 ASP CA 2.40 . . 0.50 48 2JHNCA 54 ARG H 54 ARG CA 1.26 . . 0.50 49 2JHNCA 55 THR H 55 THR CA 1.47 . . 0.50 50 2JHNCA 56 LEU H 56 LEU CA 3.25 . . 0.50 51 2JHNCA 57 SER H 57 SER CA 2.90 . . 0.50 52 2JHNCA 58 ASP H 58 ASP CA 2.54 . . 0.50 53 2JHNCA 59 TYR H 59 TYR CA 1.95 . . 0.50 54 2JHNCA 60 ASN H 60 ASN CA 2.76 . . 0.50 55 2JHNCA 61 ILE H 61 ILE CA 1.91 . . 0.50 56 2JHNCA 62 GLN H 62 GLN CA 1.64 . . 0.50 57 2JHNCA 63 LYS H 63 LYS CA 2.68 . . 0.50 58 2JHNCA 64 GLU H 64 GLU CA 2.13 . . 0.50 59 2JHNCA 65 SER H 65 SER CA 2.63 . . 0.50 60 2JHNCA 66 THR H 66 THR CA 1.48 . . 0.50 61 2JHNCA 67 LEU H 67 LEU CA 1.27 . . 0.50 62 2JHNCA 68 HIS H 68 HIS CA 1.53 . . 0.50 63 2JHNCA 69 LEU H 69 LEU CA 1.62 . . 0.50 64 2JHNCA 70 VAL H 70 VAL CA 1.37 . . 0.50 65 2JHNCA 71 LEU H 71 LEU CA 1.73 . . 0.50 66 2JHNCA 72 ARG H 72 ARG CA 2.08 . . 0.50 67 2JHNCA 73 LEU H 73 LEU CA 2.08 . . 0.50 68 2JHNCA 74 ARG H 74 ARG CA 2.38 . . 0.50 69 2JHNCA 75 GLY H 75 GLY CA 2.24 . . 0.50 70 2JHNCA 76 GLY H 76 GLY CA 1.94 . . 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' stop_ _Sample_conditions_label $sample_conditions_2 _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 1 MET C 2 GLN H 4.25 . . 0.50 2 2JCOHN 2 GLN C 3 ILE H 3.88 . . 0.50 3 2JCOHN 3 ILE C 4 PHE H 4.76 . . 0.50 4 2JCOHN 4 PHE C 5 VAL H 4.17 . . 0.50 5 2JCOHN 5 VAL C 6 LYS H 4.19 . . 0.50 6 2JCOHN 6 LYS C 7 THR H 3.87 . . 0.50 7 2JCOHN 7 THR C 8 LEU H 4.49 . . 0.50 8 2JCOHN 8 LEU C 9 THR H 4.23 . . 0.50 9 2JCOHN 9 THR C 10 GLY H 4.40 . . 0.50 10 2JCOHN 10 GLY C 11 LYS H 4.31 . . 0.50 11 2JCOHN 11 LYS C 12 THR H 4.24 . . 0.50 12 2JCOHN 12 THR C 13 ILE H 3.95 . . 0.50 13 2JCOHN 13 ILE C 14 THR H 4.21 . . 0.50 14 2JCOHN 14 THR C 15 LEU H 4.19 . . 0.50 15 2JCOHN 15 LEU C 16 GLU H 4.43 . . 0.50 16 2JCOHN 16 GLU C 17 VAL H 3.88 . . 0.50 17 2JCOHN 17 VAL C 18 GLU H 4.02 . . 0.50 18 2JCOHN 19 PRO C 20 SER H 4.19 . . 0.50 19 2JCOHN 20 SER C 21 ASP H 4.12 . . 0.50 20 2JCOHN 21 ASP C 22 THR H 4.51 . . 0.50 21 2JCOHN 22 THR C 23 ILE H 3.96 . . 0.50 22 2JCOHN 24 GLU C 25 ASN H 4.15 . . 0.50 23 2JCOHN 25 ASN C 26 VAL H 3.77 . . 0.50 24 2JCOHN 26 VAL C 27 LYS H 3.89 . . 0.50 25 2JCOHN 27 LYS C 28 ALA H 4.22 . . 0.50 26 2JCOHN 28 ALA C 29 LYS H 3.95 . . 0.50 27 2JCOHN 29 LYS C 30 ILE H 4.03 . . 0.50 28 2JCOHN 30 ILE C 31 GLN H 4.13 . . 0.50 29 2JCOHN 31 GLN C 32 ASP H 3.87 . . 0.50 30 2JCOHN 32 ASP C 33 LYS H 3.88 . . 0.50 31 2JCOHN 33 LYS C 34 GLU H 3.48 . . 0.50 32 2JCOHN 34 GLU C 35 GLY H 4.80 . . 0.50 33 2JCOHN 35 GLY C 36 ILE H 3.65 . . 0.50 34 2JCOHN 38 PRO C 39 ASP H 4.26 . . 0.50 35 2JCOHN 39 ASP C 40 GLN H 4.17 . . 0.50 36 2JCOHN 40 GLN C 41 GLN H 4.37 . . 0.50 37 2JCOHN 41 GLN C 42 ARG H 4.69 . . 0.50 38 2JCOHN 42 ARG C 43 LEU H 4.48 . . 0.50 39 2JCOHN 43 LEU C 44 ILE H 4.09 . . 0.50 40 2JCOHN 44 ILE C 45 PHE H 4.33 . . 0.50 41 2JCOHN 45 PHE C 46 ALA H 4.43 . . 0.50 42 2JCOHN 46 ALA C 47 GLY H 3.84 . . 0.50 43 2JCOHN 47 GLY C 48 LYS H 4.21 . . 0.50 44 2JCOHN 48 LYS C 49 GLN H 4.15 . . 0.50 45 2JCOHN 49 GLN C 50 LEU H 4.13 . . 0.50 46 2JCOHN 50 LEU C 51 GLU H 4.36 . . 0.50 47 2JCOHN 51 GLU C 52 ASP H 3.80 . . 0.50 48 2JCOHN 53 GLY C 54 ARG H 3.67 . . 0.50 49 2JCOHN 54 ARG C 55 THR H 4.20 . . 0.50 50 2JCOHN 55 THR C 56 LEU H 4.15 . . 0.50 51 2JCOHN 56 LEU C 57 SER H 3.74 . . 0.50 52 2JCOHN 57 SER C 58 ASP H 4.12 . . 0.50 53 2JCOHN 58 ASP C 59 TYR H 4.05 . . 0.50 54 2JCOHN 59 TYR C 60 ASN H 4.67 . . 0.50 55 2JCOHN 60 ASN C 61 ILE H 4.17 . . 0.50 56 2JCOHN 61 ILE C 62 GLN H 4.20 . . 0.50 57 2JCOHN 62 GLN C 63 LYS H 4.07 . . 0.50 58 2JCOHN 63 LYS C 64 GLU H 4.50 . . 0.50 59 2JCOHN 64 GLU C 65 SER H 3.84 . . 0.50 60 2JCOHN 65 SER C 66 THR H 4.53 . . 0.50 61 2JCOHN 66 THR C 67 LEU H 3.45 . . 0.50 62 2JCOHN 67 LEU C 68 HIS H 4.43 . . 0.50 63 2JCOHN 68 HIS C 69 LEU H 4.39 . . 0.50 64 2JCOHN 69 LEU C 70 VAL H 4.31 . . 0.50 65 2JCOHN 70 VAL C 71 LEU H 4.53 . . 0.50 66 2JCOHN 71 LEU C 72 ARG H 4.02 . . 0.50 67 2JCOHN 72 ARG C 73 LEU H 4.18 . . 0.50 68 2JCOHN 73 LEU C 74 ARG H 4.19 . . 0.50 69 2JCOHN 74 ARG C 75 GLY H 4.34 . . 0.50 70 2JCOHN 75 GLY C 76 GLY H 4.15 . . 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_2 _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 1 MET C 2 GLN CA -0.23 . . 0.50 2 2JCOCA 2 GLN C 3 ILE CA -0.43 . . 0.50 3 2JCOCA 3 ILE C 4 PHE CA -0.49 . . 0.50 4 2JCOCA 4 PHE C 5 VAL CA -0.85 . . 0.50 5 2JCOCA 5 VAL C 6 LYS CA -0.65 . . 0.50 6 2JCOCA 6 LYS C 7 THR CA -1.16 . . 0.50 7 2JCOCA 7 THR C 8 LEU CA -1.02 . . 0.50 8 2JCOCA 8 LEU C 9 THR CA -0.85 . . 0.50 9 2JCOCA 9 THR C 10 GLY CA -0.55 . . 0.50 10 2JCOCA 10 GLY C 11 LYS CA -0.48 . . 0.50 11 2JCOCA 11 LYS C 12 THR CA -0.73 . . 0.50 12 2JCOCA 12 THR C 13 ILE CA -0.84 . . 0.50 13 2JCOCA 13 ILE C 14 THR CA -0.69 . . 0.50 14 2JCOCA 14 THR C 15 LEU CA -0.49 . . 0.50 15 2JCOCA 15 LEU C 16 GLU CA -0.60 . . 0.50 16 2JCOCA 16 GLU C 17 VAL CA -0.59 . . 0.50 17 2JCOCA 17 VAL C 18 GLU CA -0.54 . . 0.50 18 2JCOCA 19 PRO C 20 SER CA -0.81 . . 0.50 19 2JCOCA 20 SER C 21 ASP CA -0.71 . . 0.50 20 2JCOCA 21 ASP C 22 THR CA -0.75 . . 0.50 21 2JCOCA 22 THR C 23 ILE CA -0.73 . . 0.50 22 2JCOCA 24 GLU C 25 ASN CA -0.35 . . 0.50 23 2JCOCA 25 ASN C 26 VAL CA -0.66 . . 0.50 24 2JCOCA 26 VAL C 27 LYS CA -0.65 . . 0.50 25 2JCOCA 27 LYS C 28 ALA CA -0.75 . . 0.50 26 2JCOCA 28 ALA C 29 LYS CA -0.68 . . 0.50 27 2JCOCA 29 LYS C 30 ILE CA -0.63 . . 0.50 28 2JCOCA 30 ILE C 31 GLN CA -0.76 . . 0.50 29 2JCOCA 31 GLN C 32 ASP CA -0.58 . . 0.50 30 2JCOCA 32 ASP C 33 LYS CA -0.59 . . 0.50 31 2JCOCA 33 LYS C 34 GLU CA -0.84 . . 0.50 32 2JCOCA 34 GLU C 35 GLY CA -0.83 . . 0.50 33 2JCOCA 35 GLY C 36 ILE CA -0.64 . . 0.50 34 2JCOCA 38 PRO C 39 ASP CA -0.58 . . 0.50 35 2JCOCA 39 ASP C 40 GLN CA -0.51 . . 0.50 36 2JCOCA 40 GLN C 41 GLN CA -0.50 . . 0.50 37 2JCOCA 41 GLN C 42 ARG CA -0.62 . . 0.50 38 2JCOCA 42 ARG C 43 LEU CA -0.53 . . 0.50 39 2JCOCA 43 LEU C 44 ILE CA -0.58 . . 0.50 40 2JCOCA 44 ILE C 45 PHE CA -0.60 . . 0.50 41 2JCOCA 45 PHE C 46 ALA CA -1.05 . . 0.50 42 2JCOCA 46 ALA C 47 GLY CA -0.84 . . 0.50 43 2JCOCA 47 GLY C 48 LYS CA -0.34 . . 0.50 44 2JCOCA 48 LYS C 49 GLN CA -0.89 . . 0.50 45 2JCOCA 49 GLN C 50 LEU CA -0.80 . . 0.50 46 2JCOCA 50 LEU C 51 GLU CA -0.80 . . 0.50 47 2JCOCA 51 GLU C 52 ASP CA -0.56 . . 0.50 48 2JCOCA 53 GLY C 54 ARG CA -0.48 . . 0.50 49 2JCOCA 54 ARG C 55 THR CA -0.81 . . 0.50 50 2JCOCA 55 THR C 56 LEU CA -0.78 . . 0.50 51 2JCOCA 56 LEU C 57 SER CA -0.75 . . 0.50 52 2JCOCA 57 SER C 58 ASP CA -0.55 . . 0.50 53 2JCOCA 58 ASP C 59 TYR CA -0.90 . . 0.50 54 2JCOCA 59 TYR C 60 ASN CA -0.76 . . 0.50 55 2JCOCA 60 ASN C 61 ILE CA -0.63 . . 0.50 56 2JCOCA 61 ILE C 62 GLN CA -0.76 . . 0.50 57 2JCOCA 62 GLN C 63 LYS CA -1.08 . . 0.50 58 2JCOCA 63 LYS C 64 GLU CA -1.47 . . 0.50 59 2JCOCA 64 GLU C 65 SER CA -0.63 . . 0.50 60 2JCOCA 65 SER C 66 THR CA -0.48 . . 0.50 61 2JCOCA 66 THR C 67 LEU CA -0.81 . . 0.50 62 2JCOCA 67 LEU C 68 HIS CA -0.68 . . 0.50 63 2JCOCA 68 HIS C 69 LEU CA -0.71 . . 0.50 64 2JCOCA 69 LEU C 70 VAL CA -0.79 . . 0.50 65 2JCOCA 70 VAL C 71 LEU CA -0.69 . . 0.50 66 2JCOCA 71 LEU C 72 ARG CA -0.85 . . 0.50 67 2JCOCA 72 ARG C 73 LEU CA -0.94 . . 0.50 68 2JCOCA 73 LEU C 74 ARG CA -0.74 . . 0.50 69 2JCOCA 74 ARG C 75 GLY CA -0.90 . . 0.50 70 2JCOCA 75 GLY C 76 GLY CA -0.87 . . 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 MET HA 1 MET C -4.07 . . 0.50 2 2JHACO 2 GLN HA 2 GLN C -3.98 . . 0.50 3 2JHACO 3 ILE HA 3 ILE C -5.46 . . 0.50 4 2JHACO 4 PHE HA 4 PHE C -3.92 . . 0.50 5 2JHACO 5 VAL HA 5 VAL C -4.31 . . 0.50 6 2JHACO 6 LYS HA 6 LYS C -3.79 . . 0.50 7 2JHACO 7 THR HA 7 THR C -4.66 . . 0.50 8 2JHACO 8 LEU HA 8 LEU C -5.94 . . 0.50 9 2JHACO 9 THR HA 9 THR C -6.02 . . 0.50 10 2JHACO 11 LYS HA 11 LYS C -3.32 . . 0.50 11 2JHACO 12 THR HA 12 THR C -4.28 . . 0.50 12 2JHACO 13 ILE HA 13 ILE C -4.05 . . 0.50 13 2JHACO 14 THR HA 14 THR C -4.25 . . 0.50 14 2JHACO 15 LEU HA 15 LEU C -4.07 . . 0.50 15 2JHACO 16 GLU HA 16 GLU C -3.81 . . 0.50 16 2JHACO 17 VAL HA 17 VAL C -5.10 . . 0.50 17 2JHACO 18 GLU HA 18 GLU C -4.20 . . 0.50 18 2JHACO 19 PRO HA 19 PRO C -4.68 . . 0.50 19 2JHACO 20 SER HA 20 SER C -5.61 . . 0.50 20 2JHACO 21 ASP HA 21 ASP C -3.49 . . 0.50 21 2JHACO 22 THR HA 22 THR C -4.79 . . 0.50 22 2JHACO 23 ILE HA 23 ILE C -6.19 . . 0.50 23 2JHACO 24 GLU HA 24 GLU C -5.04 . . 0.50 24 2JHACO 25 ASN HA 25 ASN C -5.43 . . 0.50 25 2JHACO 26 VAL HA 26 VAL C -5.60 . . 0.50 26 2JHACO 27 LYS HA 27 LYS C -5.73 . . 0.50 27 2JHACO 28 ALA HA 28 ALA C -5.19 . . 0.50 28 2JHACO 29 LYS HA 29 LYS C -5.30 . . 0.50 29 2JHACO 30 ILE HA 30 ILE C -5.64 . . 0.50 30 2JHACO 31 GLN HA 31 GLN C -4.73 . . 0.50 31 2JHACO 32 ASP HA 32 ASP C -5.43 . . 0.50 32 2JHACO 33 LYS HA 33 LYS C -5.79 . . 0.50 33 2JHACO 34 GLU HA 34 GLU C -6.18 . . 0.50 34 2JHACO 36 ILE HA 36 ILE C -3.09 . . 0.50 35 2JHACO 37 PRO HA 37 PRO C -2.03 . . 0.50 36 2JHACO 38 PRO HA 38 PRO C -5.08 . . 0.50 37 2JHACO 39 ASP HA 39 ASP C -5.77 . . 0.50 38 2JHACO 40 GLN HA 40 GLN C -5.52 . . 0.50 39 2JHACO 41 GLN HA 41 GLN C -3.27 . . 0.50 40 2JHACO 42 ARG HA 42 ARG C -4.20 . . 0.50 41 2JHACO 43 LEU HA 43 LEU C -4.28 . . 0.50 42 2JHACO 44 ILE HA 44 ILE C -4.30 . . 0.50 43 2JHACO 45 PHE HA 45 PHE C -4.20 . . 0.50 44 2JHACO 46 ALA HA 46 ALA C -6.03 . . 0.50 45 2JHACO 48 LYS HA 48 LYS C -3.77 . . 0.50 46 2JHACO 49 GLN HA 49 GLN C -2.76 . . 0.50 47 2JHACO 50 LEU HA 50 LEU C -3.49 . . 0.50 48 2JHACO 51 GLU HA 51 GLU C -3.60 . . 0.50 49 2JHACO 52 ASP HA 52 ASP C -4.79 . . 0.50 50 2JHACO 54 ARG HA 54 ARG C -4.87 . . 0.50 51 2JHACO 55 THR HA 55 THR C -5.45 . . 0.50 52 2JHACO 56 LEU HA 56 LEU C -5.89 . . 0.50 53 2JHACO 57 SER HA 57 SER C -5.31 . . 0.50 54 2JHACO 58 ASP HA 58 ASP C -5.56 . . 0.50 55 2JHACO 59 TYR HA 59 TYR C -5.65 . . 0.50 56 2JHACO 60 ASN HA 60 ASN C -6.22 . . 0.50 57 2JHACO 61 ILE HA 61 ILE C -2.96 . . 0.50 58 2JHACO 62 GLN HA 62 GLN C -4.97 . . 0.50 59 2JHACO 63 LYS HA 63 LYS C -2.98 . . 0.50 60 2JHACO 64 GLU HA 64 GLU C -7.09 . . 0.50 61 2JHACO 65 SER HA 65 SER C -3.89 . . 0.50 62 2JHACO 66 THR HA 66 THR C -4.46 . . 0.50 63 2JHACO 67 LEU HA 67 LEU C -3.54 . . 0.50 64 2JHACO 68 HIS HA 68 HIS C -4.03 . . 0.50 65 2JHACO 69 LEU HA 69 LEU C -3.90 . . 0.50 66 2JHACO 70 VAL HA 70 VAL C -4.35 . . 0.50 67 2JHACO 71 LEU HA 71 LEU C -4.03 . . 0.50 68 2JHACO 72 ARG HA 72 ARG C -3.74 . . 0.50 69 2JHACO 73 LEU HA 73 LEU C -4.30 . . 0.50 70 2JHACO 74 ARG HA 74 ARG C -4.31 . . 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 MET HA 1 MET CB -3.61 . . 0.50 2 2JHACB 2 GLN HA 2 GLN CB -4.74 . . 0.50 3 2JHACB 3 ILE HA 3 ILE CB -4.30 . . 0.50 4 2JHACB 4 PHE HA 4 PHE CB -4.61 . . 0.50 5 2JHACB 5 VAL HA 5 VAL CB -4.27 . . 0.50 6 2JHACB 6 LYS HA 6 LYS CB -4.23 . . 0.50 7 2JHACB 8 LEU HA 8 LEU CB -4.80 . . 0.50 8 2JHACB 11 LYS HA 11 LYS CB -4.43 . . 0.50 9 2JHACB 13 ILE HA 13 ILE CB -4.44 . . 0.50 10 2JHACB 15 LEU HA 15 LEU CB -0.31 . . 0.50 11 2JHACB 16 GLU HA 16 GLU CB -2.45 . . 0.50 12 2JHACB 17 VAL HA 17 VAL CB -3.74 . . 0.50 13 2JHACB 18 GLU HA 18 GLU CB -4.89 . . 0.50 14 2JHACB 19 PRO HA 19 PRO CB -4.30 . . 0.50 15 2JHACB 21 ASP HA 21 ASP CB -5.29 . . 0.50 16 2JHACB 23 ILE HA 23 ILE CB -5.21 . . 0.50 17 2JHACB 24 GLU HA 24 GLU CB -4.19 . . 0.50 18 2JHACB 25 ASN HA 25 ASN CB -4.92 . . 0.50 19 2JHACB 26 VAL HA 26 VAL CB -5.05 . . 0.50 20 2JHACB 27 LYS HA 27 LYS CB -5.36 . . 0.50 21 2JHACB 28 ALA HA 28 ALA CB -4.52 . . 0.50 22 2JHACB 29 LYS HA 29 LYS CB -4.85 . . 0.50 23 2JHACB 30 ILE HA 30 ILE CB -4.86 . . 0.50 24 2JHACB 31 GLN HA 31 GLN CB -4.92 . . 0.50 25 2JHACB 32 ASP HA 32 ASP CB -3.76 . . 0.50 26 2JHACB 33 LYS HA 33 LYS CB -4.65 . . 0.50 27 2JHACB 34 GLU HA 34 GLU CB -5.59 . . 0.50 28 2JHACB 36 ILE HA 36 ILE CB -4.19 . . 0.50 29 2JHACB 37 PRO HA 37 PRO CB -3.88 . . 0.50 30 2JHACB 38 PRO HA 38 PRO CB -4.11 . . 0.50 31 2JHACB 39 ASP HA 39 ASP CB -4.73 . . 0.50 32 2JHACB 40 GLN HA 40 GLN CB -5.20 . . 0.50 33 2JHACB 41 GLN HA 41 GLN CB -4.29 . . 0.50 34 2JHACB 42 ARG HA 42 ARG CB -3.69 . . 0.50 35 2JHACB 43 LEU HA 43 LEU CB -0.47 . . 0.50 36 2JHACB 44 ILE HA 44 ILE CB -4.32 . . 0.50 37 2JHACB 45 PHE HA 45 PHE CB -2.56 . . 0.50 38 2JHACB 46 ALA HA 46 ALA CB -4.61 . . 0.50 39 2JHACB 48 LYS HA 48 LYS CB -4.13 . . 0.50 40 2JHACB 50 LEU HA 50 LEU CB -4.36 . . 0.50 41 2JHACB 51 GLU HA 51 GLU CB -3.11 . . 0.50 42 2JHACB 52 ASP HA 52 ASP CB -5.72 . . 0.50 43 2JHACB 54 ARG HA 54 ARG CB -5.78 . . 0.50 44 2JHACB 56 LEU HA 56 LEU CB -3.78 . . 0.50 45 2JHACB 58 ASP HA 58 ASP CB -5.51 . . 0.50 46 2JHACB 59 TYR HA 59 TYR CB -5.01 . . 0.50 47 2JHACB 60 ASN HA 60 ASN CB -4.77 . . 0.50 48 2JHACB 61 ILE HA 61 ILE CB -4.68 . . 0.50 49 2JHACB 62 GLN HA 62 GLN CB -4.73 . . 0.50 50 2JHACB 63 LYS HA 63 LYS CB -3.88 . . 0.50 51 2JHACB 64 GLU HA 64 GLU CB -5.20 . . 0.50 52 2JHACB 67 LEU HA 67 LEU CB -2.82 . . 0.50 53 2JHACB 68 HIS HA 68 HIS CB -4.51 . . 0.50 54 2JHACB 69 LEU HA 69 LEU CB -2.33 . . 0.50 55 2JHACB 70 VAL HA 70 VAL CB -4.53 . . 0.50 56 2JHACB 71 LEU HA 71 LEU CB -4.34 . . 0.50 57 2JHACB 72 ARG HA 72 ARG CB -4.07 . . 0.50 58 2JHACB 73 LEU HA 73 LEU CB -3.99 . . 0.50 59 2JHACB 74 ARG HA 74 ARG CB -4.18 . . 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 1 MET CB 1 MET C -1.22 . . 0.50 2 2JCBCO 2 GLN CB 2 GLN C -0.51 . . 0.50 3 2JCBCO 3 ILE CB 3 ILE C -0.06 . . 0.50 4 2JCBCO 4 PHE CB 4 PHE C 0.28 . . 0.50 5 2JCBCO 5 VAL CB 5 VAL C -0.09 . . 0.50 6 2JCBCO 6 LYS CB 6 LYS C -0.41 . . 0.50 7 2JCBCO 11 LYS CB 11 LYS C -0.46 . . 0.50 8 2JCBCO 13 ILE CB 13 ILE C -0.33 . . 0.50 9 2JCBCO 15 LEU CB 15 LEU C 0.09 . . 0.50 10 2JCBCO 16 GLU CB 16 GLU C -0.41 . . 0.50 11 2JCBCO 17 VAL CB 17 VAL C 0.47 . . 0.50 12 2JCBCO 19 PRO CB 19 PRO C -0.96 . . 0.50 13 2JCBCO 21 ASP CB 21 ASP C -0.76 . . 0.50 14 2JCBCO 24 GLU CB 24 GLU C -1.20 . . 0.50 15 2JCBCO 25 ASN CB 25 ASN C -0.71 . . 0.50 16 2JCBCO 26 VAL CB 26 VAL C -0.30 . . 0.50 17 2JCBCO 27 LYS CB 27 LYS C -0.90 . . 0.50 18 2JCBCO 28 ALA CB 28 ALA C -1.51 . . 0.50 19 2JCBCO 29 LYS CB 29 LYS C -0.92 . . 0.50 20 2JCBCO 30 ILE CB 30 ILE C -0.91 . . 0.50 21 2JCBCO 31 GLN CB 31 GLN C -1.10 . . 0.50 22 2JCBCO 32 ASP CB 32 ASP C -0.63 . . 0.50 23 2JCBCO 33 LYS CB 33 LYS C -0.14 . . 0.50 24 2JCBCO 34 GLU CB 34 GLU C -0.10 . . 0.50 25 2JCBCO 38 PRO CB 38 PRO C -0.91 . . 0.50 26 2JCBCO 39 ASP CB 39 ASP C -1.14 . . 0.50 27 2JCBCO 40 GLN CB 40 GLN C 0.11 . . 0.50 28 2JCBCO 41 GLN CB 41 GLN C 0.21 . . 0.50 29 2JCBCO 42 ARG CB 42 ARG C -0.10 . . 0.50 30 2JCBCO 43 LEU CB 43 LEU C 0.06 . . 0.50 31 2JCBCO 44 ILE CB 44 ILE C -0.03 . . 0.50 32 2JCBCO 46 ALA CB 46 ALA C 0.25 . . 0.50 33 2JCBCO 48 LYS CB 48 LYS C -0.34 . . 0.50 34 2JCBCO 49 GLN CB 49 GLN C -1.07 . . 0.50 35 2JCBCO 50 LEU CB 50 LEU C -0.48 . . 0.50 36 2JCBCO 51 GLU CB 51 GLU C 0.21 . . 0.50 37 2JCBCO 54 ARG CB 54 ARG C 0.21 . . 0.50 38 2JCBCO 56 LEU CB 56 LEU C -0.90 . . 0.50 39 2JCBCO 58 ASP CB 58 ASP C -0.84 . . 0.50 40 2JCBCO 59 TYR CB 59 TYR C 0.26 . . 0.50 41 2JCBCO 60 ASN CB 60 ASN C 0.14 . . 0.50 42 2JCBCO 61 ILE CB 61 ILE C -0.56 . . 0.50 43 2JCBCO 62 GLN CB 62 GLN C 0.78 . . 0.50 44 2JCBCO 63 LYS CB 63 LYS C -1.50 . . 0.50 45 2JCBCO 64 GLU CB 64 GLU C 0.42 . . 0.50 46 2JCBCO 67 LEU CB 67 LEU C -0.07 . . 0.50 47 2JCBCO 68 HIS CB 68 HIS C 0.46 . . 0.50 48 2JCBCO 69 LEU CB 69 LEU C -0.54 . . 0.50 49 2JCBCO 70 VAL CB 70 VAL C -0.11 . . 0.50 50 2JCBCO 71 LEU CB 71 LEU C -0.42 . . 0.50 51 2JCBCO 72 ARG CB 72 ARG C -0.49 . . 0.50 stop_ save_ save_2JN_Ha _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ha-coupled [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 2 GLN N 2 GLN HA 0.99 . . 0.50 2 2JN_HA 3 ILE N 3 ILE HA 0.56 . . 0.50 3 2JN_HA 4 PHE N 4 PHE HA 0.87 . . 0.50 4 2JN_HA 5 VAL N 5 VAL HA 0.98 . . 0.50 5 2JN_HA 6 LYS N 6 LYS HA 1.21 . . 0.50 6 2JN_HA 7 THR N 7 THR HA 0.90 . . 0.50 7 2JN_HA 8 LEU N 8 LEU HA 0.69 . . 0.50 8 2JN_HA 11 LYS N 11 LYS HA 0.56 . . 0.50 9 2JN_HA 12 THR N 12 THR HA 0.84 . . 0.50 10 2JN_HA 13 ILE N 13 ILE HA 1.01 . . 0.50 11 2JN_HA 14 THR N 14 THR HA 0.73 . . 0.50 12 2JN_HA 15 LEU N 15 LEU HA 0.66 . . 0.50 13 2JN_HA 16 GLU N 16 GLU HA 1.17 . . 0.50 14 2JN_HA 17 VAL N 17 VAL HA 0.73 . . 0.50 15 2JN_HA 18 GLU N 18 GLU HA 0.57 . . 0.50 16 2JN_HA 20 SER N 20 SER HA 0.79 . . 0.50 17 2JN_HA 21 ASP N 21 ASP HA 0.22 . . 0.50 18 2JN_HA 22 THR N 22 THR HA 0.53 . . 0.50 19 2JN_HA 23 ILE N 23 ILE HA 1.01 . . 0.50 20 2JN_HA 25 ASN N 25 ASN HA 0.80 . . 0.50 21 2JN_HA 26 VAL N 26 VAL HA 0.82 . . 0.50 22 2JN_HA 27 LYS N 27 LYS HA -0.07 . . 0.50 23 2JN_HA 28 ALA N 28 ALA HA 0.55 . . 0.50 24 2JN_HA 29 LYS N 29 LYS HA 0.46 . . 0.50 25 2JN_HA 30 ILE N 30 ILE HA 0.83 . . 0.50 26 2JN_HA 31 GLN N 31 GLN HA 0.83 . . 0.50 27 2JN_HA 32 ASP N 32 ASP HA 0.75 . . 0.50 28 2JN_HA 33 LYS N 33 LYS HA 0.49 . . 0.50 29 2JN_HA 34 GLU N 34 GLU HA 0.85 . . 0.50 30 2JN_HA 36 ILE N 36 ILE HA 0.67 . . 0.50 31 2JN_HA 39 ASP N 39 ASP HA 0.55 . . 0.50 32 2JN_HA 40 GLN N 40 GLN HA 0.51 . . 0.50 33 2JN_HA 41 GLN N 41 GLN HA -0.06 . . 0.50 34 2JN_HA 42 ARG N 42 ARG HA 0.59 . . 0.50 35 2JN_HA 43 LEU N 43 LEU HA 1.05 . . 0.50 36 2JN_HA 44 ILE N 44 ILE HA 0.82 . . 0.50 37 2JN_HA 45 PHE N 45 PHE HA 1.13 . . 0.50 38 2JN_HA 46 ALA N 46 ALA HA 0.95 . . 0.50 39 2JN_HA 48 LYS N 48 LYS HA 0.83 . . 0.50 40 2JN_HA 49 GLN N 49 GLN HA 0.62 . . 0.50 41 2JN_HA 50 LEU N 50 LEU HA 0.50 . . 0.50 42 2JN_HA 51 GLU N 51 GLU HA 0.69 . . 0.50 43 2JN_HA 52 ASP N 52 ASP HA 0.29 . . 0.50 44 2JN_HA 54 ARG N 54 ARG HA 0.40 . . 0.50 45 2JN_HA 55 THR N 55 THR HA 0.97 . . 0.50 46 2JN_HA 56 LEU N 56 LEU HA 0.29 . . 0.50 47 2JN_HA 57 SER N 57 SER HA 1.04 . . 0.50 48 2JN_HA 58 ASP N 58 ASP HA 1.03 . . 0.50 49 2JN_HA 59 TYR N 59 TYR HA 0.74 . . 0.50 50 2JN_HA 60 ASN N 60 ASN HA 0.73 . . 0.50 51 2JN_HA 61 ILE N 61 ILE HA 1.17 . . 0.50 52 2JN_HA 62 GLN N 62 GLN HA 0.77 . . 0.50 53 2JN_HA 63 LYS N 63 LYS HA 0.63 . . 0.50 54 2JN_HA 64 GLU N 64 GLU HA 0.26 . . 0.50 55 2JN_HA 65 SER N 65 SER HA -0.08 . . 0.50 56 2JN_HA 66 THR N 66 THR HA 1.22 . . 0.50 57 2JN_HA 67 LEU N 67 LEU HA 0.58 . . 0.50 58 2JN_HA 68 HIS N 68 HIS HA 0.71 . . 0.50 59 2JN_HA 69 LEU N 69 LEU HA 0.86 . . 0.50 60 2JN_HA 70 VAL N 70 VAL HA 0.75 . . 0.50 61 2JN_HA 71 LEU N 71 LEU HA 0.79 . . 0.50 62 2JN_HA 72 ARG N 72 ARG HA 0.78 . . 0.50 63 2JN_HA 73 LEU N 73 LEU HA 0.49 . . 0.50 64 2JN_HA 74 ARG N 74 ARG HA 1.18 . . 0.50 stop_ save_ save_2JN_Cb _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Cb-coupled [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_CB 2 GLN N 2 GLN CB -0.24 . . 0.50 2 2JN_CB 3 ILE N 3 ILE CB -0.51 . . 0.50 3 2JN_CB 4 PHE N 4 PHE CB -0.27 . . 0.50 4 2JN_CB 5 VAL N 5 VAL CB -0.26 . . 0.50 5 2JN_CB 6 LYS N 6 LYS CB -0.31 . . 0.50 6 2JN_CB 8 LEU N 8 LEU CB -0.33 . . 0.50 7 2JN_CB 13 ILE N 13 ILE CB -0.20 . . 0.50 8 2JN_CB 15 LEU N 15 LEU CB -0.45 . . 0.50 9 2JN_CB 16 GLU N 16 GLU CB -0.40 . . 0.50 10 2JN_CB 17 VAL N 17 VAL CB 0.02 . . 0.50 11 2JN_CB 18 GLU N 18 GLU CB -0.45 . . 0.50 12 2JN_CB 21 ASP N 21 ASP CB -0.50 . . 0.50 13 2JN_CB 23 ILE N 23 ILE CB -0.94 . . 0.50 14 2JN_CB 25 ASN N 25 ASN CB -0.52 . . 0.50 15 2JN_CB 26 VAL N 26 VAL CB -1.14 . . 0.50 16 2JN_CB 27 LYS N 27 LYS CB -0.47 . . 0.50 17 2JN_CB 28 ALA N 28 ALA CB -0.14 . . 0.50 18 2JN_CB 29 LYS N 29 LYS CB -0.62 . . 0.50 19 2JN_CB 30 ILE N 30 ILE CB -0.44 . . 0.50 20 2JN_CB 31 GLN N 31 GLN CB -0.80 . . 0.50 21 2JN_CB 32 ASP N 32 ASP CB -0.55 . . 0.50 22 2JN_CB 33 LYS N 33 LYS CB -0.01 . . 0.50 23 2JN_CB 34 GLU N 34 GLU CB 0.12 . . 0.50 24 2JN_CB 39 ASP N 39 ASP CB -0.41 . . 0.50 25 2JN_CB 40 GLN N 40 GLN CB -0.27 . . 0.50 26 2JN_CB 41 GLN N 41 GLN CB -0.53 . . 0.50 27 2JN_CB 42 ARG N 42 ARG CB -0.19 . . 0.50 28 2JN_CB 43 LEU N 43 LEU CB -0.65 . . 0.50 29 2JN_CB 44 ILE N 44 ILE CB -0.46 . . 0.50 30 2JN_CB 45 PHE N 45 PHE CB -0.44 . . 0.50 31 2JN_CB 49 GLN N 49 GLN CB -0.42 . . 0.50 32 2JN_CB 50 LEU N 50 LEU CB -0.20 . . 0.50 33 2JN_CB 51 GLU N 51 GLU CB -0.24 . . 0.50 34 2JN_CB 52 ASP N 52 ASP CB -0.25 . . 0.50 35 2JN_CB 56 LEU N 56 LEU CB -0.33 . . 0.50 36 2JN_CB 58 ASP N 58 ASP CB -0.42 . . 0.50 37 2JN_CB 59 TYR N 59 TYR CB -0.13 . . 0.50 38 2JN_CB 60 ASN N 60 ASN CB 0.27 . . 0.50 39 2JN_CB 61 ILE N 61 ILE CB -0.66 . . 0.50 40 2JN_CB 62 GLN N 62 GLN CB -0.19 . . 0.50 41 2JN_CB 63 LYS N 63 LYS CB -0.50 . . 0.50 42 2JN_CB 64 GLU N 64 GLU CB 0.22 . . 0.50 43 2JN_CB 67 LEU N 67 LEU CB -0.31 . . 0.50 44 2JN_CB 68 HIS N 68 HIS CB -0.35 . . 0.50 45 2JN_CB 69 LEU N 69 LEU CB -0.55 . . 0.50 46 2JN_CB 70 VAL N 70 VAL CB -0.39 . . 0.50 47 2JN_CB 71 LEU N 71 LEU CB -0.02 . . 0.50 48 2JN_CB 72 ARG N 72 ARG CB -0.33 . . 0.50 49 2JN_CB 73 LEU N 73 LEU CB -0.04 . . 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_2 _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 2 GLN N 2 GLN C 0.09 . . 0.50 2 2JN_CO 3 ILE N 3 ILE C -0.25 . . 0.50 3 2JN_CO 4 PHE N 4 PHE C -0.30 . . 0.50 4 2JN_CO 5 VAL N 5 VAL C -0.20 . . 0.50 5 2JN_CO 6 LYS N 6 LYS C 0.19 . . 0.50 6 2JN_CO 7 THR N 7 THR C -0.30 . . 0.50 7 2JN_CO 8 LEU N 8 LEU C -0.17 . . 0.50 8 2JN_CO 9 THR N 9 THR C -0.44 . . 0.50 9 2JN_CO 10 GLY N 10 GLY C -0.24 . . 0.50 10 2JN_CO 11 LYS N 11 LYS C 0.25 . . 0.50 11 2JN_CO 12 THR N 12 THR C -0.08 . . 0.50 12 2JN_CO 13 ILE N 13 ILE C -0.06 . . 0.50 13 2JN_CO 14 THR N 14 THR C 0.10 . . 0.50 14 2JN_CO 15 LEU N 15 LEU C -0.17 . . 0.50 15 2JN_CO 16 GLU N 16 GLU C 0.30 . . 0.50 16 2JN_CO 17 VAL N 17 VAL C -0.52 . . 0.50 17 2JN_CO 18 GLU N 18 GLU C -0.17 . . 0.50 18 2JN_CO 20 SER N 20 SER C -0.82 . . 0.50 19 2JN_CO 21 ASP N 21 ASP C 0.42 . . 0.50 20 2JN_CO 22 THR N 22 THR C -0.02 . . 0.50 21 2JN_CO 23 ILE N 23 ILE C -0.32 . . 0.50 22 2JN_CO 25 ASN N 25 ASN C -0.05 . . 0.50 23 2JN_CO 26 VAL N 26 VAL C 0.02 . . 0.50 24 2JN_CO 27 LYS N 27 LYS C 0.01 . . 0.50 25 2JN_CO 28 ALA N 28 ALA C -0.10 . . 0.50 26 2JN_CO 29 LYS N 29 LYS C 0.02 . . 0.50 27 2JN_CO 30 ILE N 30 ILE C -0.14 . . 0.50 28 2JN_CO 31 GLN N 31 GLN C 0.12 . . 0.50 29 2JN_CO 32 ASP N 32 ASP C -0.14 . . 0.50 30 2JN_CO 33 LYS N 33 LYS C -0.33 . . 0.50 31 2JN_CO 34 GLU N 34 GLU C -1.14 . . 0.50 32 2JN_CO 35 GLY N 35 GLY C -0.10 . . 0.50 33 2JN_CO 36 ILE N 36 ILE C 0.03 . . 0.50 34 2JN_CO 39 ASP N 39 ASP C -0.30 . . 0.50 35 2JN_CO 40 GLN N 40 GLN C -0.40 . . 0.50 36 2JN_CO 41 GLN N 41 GLN C 0.06 . . 0.50 37 2JN_CO 42 ARG N 42 ARG C -0.05 . . 0.50 38 2JN_CO 43 LEU N 43 LEU C 0.10 . . 0.50 39 2JN_CO 44 ILE N 44 ILE C -0.54 . . 0.50 40 2JN_CO 45 PHE N 45 PHE C -0.18 . . 0.50 41 2JN_CO 46 ALA N 46 ALA C 0.43 . . 0.50 42 2JN_CO 47 GLY N 47 GLY C -0.38 . . 0.50 43 2JN_CO 48 LYS N 48 LYS C -0.21 . . 0.50 44 2JN_CO 49 GLN N 49 GLN C 0.26 . . 0.50 45 2JN_CO 50 LEU N 50 LEU C -0.06 . . 0.50 46 2JN_CO 51 GLU N 51 GLU C -0.19 . . 0.50 47 2JN_CO 52 ASP N 52 ASP C 0.24 . . 0.50 48 2JN_CO 54 ARG N 54 ARG C 0.15 . . 0.50 49 2JN_CO 55 THR N 55 THR C -0.44 . . 0.50 50 2JN_CO 56 LEU N 56 LEU C -0.02 . . 0.50 51 2JN_CO 57 SER N 57 SER C -0.49 . . 0.50 52 2JN_CO 58 ASP N 58 ASP C 0.07 . . 0.50 53 2JN_CO 59 TYR N 59 TYR C -0.50 . . 0.50 54 2JN_CO 60 ASN N 60 ASN C 0.20 . . 0.50 55 2JN_CO 61 ILE N 61 ILE C 0.25 . . 0.50 56 2JN_CO 62 GLN N 62 GLN C -0.41 . . 0.50 57 2JN_CO 63 LYS N 63 LYS C 0.11 . . 0.50 58 2JN_CO 64 GLU N 64 GLU C 0.09 . . 0.50 59 2JN_CO 65 SER N 65 SER C 0.01 . . 0.50 60 2JN_CO 66 THR N 66 THR C -0.11 . . 0.50 61 2JN_CO 67 LEU N 67 LEU C 0.19 . . 0.50 62 2JN_CO 68 HIS N 68 HIS C -0.14 . . 0.50 63 2JN_CO 69 LEU N 69 LEU C 0.16 . . 0.50 64 2JN_CO 70 VAL N 70 VAL C -0.28 . . 0.50 65 2JN_CO 71 LEU N 71 LEU C 0.09 . . 0.50 66 2JN_CO 72 ARG N 72 ARG C 0.04 . . 0.50 67 2JN_CO 73 LEU N 73 LEU C -0.01 . . 0.50 68 2JN_CO 74 ARG N 74 ARG C -0.05 . . 0.50 69 2JN_CO 75 GLY N 75 GLY C 0.07 . . 0.50 70 2JN_CO 76 GLY N 76 GLY C 0.02 . . 0.50 stop_ save_