data_25070 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the Rad18-UBZ/ubiquitin complex ; _BMRB_accession_number 25070 _BMRB_flat_file_name bmr25070.str _Entry_type original _Submission_date 2014-07-03 _Accession_date 2014-07-03 _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 Rizzo Alessandro A. . 2 Salerno Paige E. . 3 Bezsonova Irina . . 4 Korzhnev Dmitry M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 438 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-26 update BMRB 'update entry citation' 2014-09-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25071 'ubiquitin-binding zinc finger (UBZ) domain from human Rad18' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the Human Rad18 Zinc Finger in Complex with Ubiquitin Defines a Class of UBZ Domains in Proteins Linked to the DNA Damage Response.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25162118 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rizzo Alessandro A. . 2 Salerno Paige E. . 3 Bezsonova Irina . . 4 Korzhnev Dmitry M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 53 _Journal_issue 37 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5895 _Page_last 5906 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rad18-UBZ/ubiquitin complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubiquitin $entity_1 Ubiquitin-binding_zinc_finger_(UBZ)_domain_from_human_Rad18 $entity_2 'ZINC ION' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass 8859.192 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSHMQIFVKTLTGKTITLEV EPSDTIENVKAKIQDKEGIP PDQQRLIFAGKQLEDGRTLS DYNIQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 GLN 6 3 ILE 7 4 PHE 8 5 VAL 9 6 LYS 10 7 THR 11 8 LEU 12 9 THR 13 10 GLY 14 11 LYS 15 12 THR 16 13 ILE 17 14 THR 18 15 LEU 19 16 GLU 20 17 VAL 21 18 GLU 22 19 PRO 23 20 SER 24 21 ASP 25 22 THR 26 23 ILE 27 24 GLU 28 25 ASN 29 26 VAL 30 27 LYS 31 28 ALA 32 29 LYS 33 30 ILE 34 31 GLN 35 32 ASP 36 33 LYS 37 34 GLU 38 35 GLY 39 36 ILE 40 37 PRO 41 38 PRO 42 39 ASP 43 40 GLN 44 41 GLN 45 42 ARG 46 43 LEU 47 44 ILE 48 45 PHE 49 46 ALA 50 47 GLY 51 48 LYS 52 49 GLN 53 50 LEU 54 51 GLU 55 52 ASP 56 53 GLY 57 54 ARG 58 55 THR 59 56 LEU 60 57 SER 61 58 ASP 62 59 TYR 63 60 ASN 64 61 ILE 65 62 GLN 66 63 LYS 67 64 GLU 68 65 SER 69 66 THR 70 67 LEU 71 68 HIS 72 69 LEU 73 70 VAL 74 71 LEU 75 72 ARG 76 73 LEU 77 74 ARG 78 75 GLY 79 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 96.20 76 98.68 98.68 3.70e-45 BMRB 11547 ubiquitin 96.20 76 98.68 98.68 3.70e-45 BMRB 15047 denatured_ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 15410 Ubi 96.20 76 100.00 100.00 6.92e-46 BMRB 15689 UBB 94.94 103 98.67 100.00 8.52e-44 BMRB 15907 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 16228 ubiquitin 96.20 76 97.37 98.68 1.93e-44 BMRB 16582 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 16626 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 16895 UBB+1 94.94 103 98.67 100.00 8.52e-44 BMRB 17181 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 17439 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 17769 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 17919 entity 96.20 76 100.00 100.00 6.92e-46 BMRB 18582 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 18583 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 18584 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 18610 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 18611 Ubiquitin_A_state 96.20 76 100.00 100.00 6.92e-46 BMRB 18737 UBIQUITIN 96.20 76 100.00 100.00 6.92e-46 BMRB 19406 entity 96.20 152 100.00 100.00 6.87e-45 BMRB 19412 entity 96.20 152 100.00 100.00 6.87e-45 BMRB 25123 Ubiquitin 91.14 72 100.00 100.00 8.35e-43 BMRB 25601 entity_1 96.20 76 97.37 97.37 5.80e-44 BMRB 26604 Ubiquitin_(microcrystalline) 96.20 76 100.00 100.00 6.92e-46 BMRB 4245 ubiquitin 96.20 76 100.00 100.00 6.92e-46 BMRB 4375 Ubiquitin 96.20 76 100.00 100.00 6.92e-46 PDB 1AAR "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)" 96.20 76 100.00 100.00 6.92e-46 PDB 1CMX "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases" 94.94 76 100.00 100.00 4.70e-45 PDB 1D3Z "Ubiquitin Nmr Structure" 96.20 76 100.00 100.00 6.92e-46 PDB 1F9J "Structure Of A New Crystal Form Of Tetraubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 1G6J "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles" 94.94 76 100.00 100.00 6.73e-45 PDB 1GJZ "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin" 65.82 53 98.08 98.08 2.77e-26 PDB 1NBF "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 4.70e-45 PDB 1OGW "Synthetic Ubiquitin With Fluoro-Leu At 50 And 67" 96.20 76 97.37 97.37 3.37e-44 PDB 1P3Q "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9" 96.20 76 100.00 100.00 6.92e-46 PDB 1Q5W "Ubiquitin Recognition By Npl4 Zinc-Fingers" 96.20 76 100.00 100.00 6.92e-46 PDB 1S1Q "Tsg101(Uev) Domain In Complex With Ubiquitin" 94.94 76 100.00 100.00 6.73e-45 PDB 1TBE "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed" 96.20 76 100.00 100.00 6.92e-46 PDB 1UBI "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1" 96.20 76 100.00 100.00 6.92e-46 PDB 1UBQ "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution" 96.20 76 100.00 100.00 6.92e-46 PDB 1UZX "A Complex Of The Vps23 Uev With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 1V80 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 96.20 76 100.00 100.00 6.92e-46 PDB 1V81 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 96.20 76 100.00 100.00 6.92e-46 PDB 1VX7 "Cryo-em Structure Of The Plasmodium Falciparum 80s Ribosome Bound To The Anti-protozoan Drug Emetine, Large Subunit (protein On" 96.20 128 98.68 100.00 1.46e-45 PDB 1WR6 "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 1WRD "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 94.94 75 100.00 100.00 4.57e-45 PDB 1XQQ "Simultaneous Determination Of Protein Structure And Dynamics" 96.20 76 100.00 100.00 6.92e-46 PDB 1YD8 "Complex Of Human Gga3 Gat Domain And Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 1YIW "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin" 96.20 76 98.68 100.00 3.07e-45 PDB 1YJ1 "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin" 96.20 76 97.37 98.68 3.41e-44 PDB 1YX5 "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX" 96.20 98 100.00 100.00 4.21e-46 PDB 1YX6 "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX" 96.20 98 100.00 100.00 4.21e-46 PDB 1ZGU "Solution Structure Of The Human Mms2-Ubiquitin Complex" 96.20 76 98.68 100.00 1.90e-45 PDB 2AYO "Structure Of Usp14 Bound To Ubquitin Aldehyde" 94.94 76 100.00 100.00 4.70e-45 PDB 2BGF "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data" 96.20 76 100.00 100.00 6.92e-46 PDB 2C7M "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2C7N "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2D3G "Double Sided Ubiquitin Binding Of Hrs-Uim" 96.20 76 100.00 100.00 6.92e-46 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2DX5 "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2FCM "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 3.41e-44 PDB 2FCN "X-Ray Crystal Structure Of A Chemically Synthesized [d-Val35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 3.41e-44 PDB 2FCQ "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group" 96.20 76 98.68 100.00 3.07e-45 PDB 2FCS "X-Ray Crystal Structure Of A Chemically Synthesized [l-Gln35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 3.84e-44 PDB 2FID "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2FIF "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 2G45 "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2GMI Mms2UBC13~UBIQUITIN 96.20 76 100.00 100.00 6.92e-46 PDB 2HD5 "Usp2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2HTH "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain" 96.20 76 100.00 100.00 6.92e-46 PDB 2IBI "Covalent Ubiquitin-Usp2 Complex" 94.94 75 100.00 100.00 4.57e-45 PDB 2J7Q "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U" 94.94 75 100.00 100.00 4.57e-45 PDB 2JF5 "Crystal Structure Of Lys63-Linked Di-Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 96.20 76 100.00 100.00 6.92e-46 PDB 2JY6 "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain" 96.20 76 100.00 100.00 6.92e-46 PDB 2JZZ "Solid-State Nmr Structure Of Microcrystalline Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2K25 "Automated Nmr Structure Of The Ubb By Fapsy" 94.94 103 98.67 100.00 8.52e-44 PDB 2K39 "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution" 96.20 76 100.00 100.00 6.92e-46 PDB 2K6D "Cin85 Sh3-C Domain In Complex With Ubiquitin" 94.94 76 100.00 100.00 4.50e-45 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KDE "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" 96.20 76 100.00 100.00 6.92e-46 PDB 2KDF "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" 96.20 76 100.00 100.00 6.92e-46 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 100.00 79 100.00 100.00 1.50e-48 PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 94.94 76 100.00 100.00 4.50e-45 PDB 2KLG "Pere Nmr Structure Of Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KN5 "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its " 96.20 76 100.00 100.00 6.92e-46 PDB 2KOX "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KTF "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2KX0 "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B" 94.94 103 98.67 100.00 8.52e-44 PDB 2L0F "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 96.20 76 100.00 100.00 6.92e-46 PDB 2L3Z "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2LD9 "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs" 96.20 77 100.00 100.00 9.24e-46 PDB 2LJ5 "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings" 96.20 76 100.00 100.00 6.92e-46 PDB 2LVO "Structure Of The Gp78cue Domain Bound To Monubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2LVP "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2LVQ "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2LZ6 "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 96.20 76 100.00 100.00 6.92e-46 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 98.73 78 100.00 100.00 9.93e-48 PDB 2MBH "Nmr Structure Of Eklf(22-40)/ubiquitin Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 2MBO "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl" 96.20 76 100.00 100.00 6.92e-46 PDB 2MBQ "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl" 96.20 76 100.00 100.00 6.92e-46 PDB 2MCN "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 96.20 76 100.00 100.00 6.92e-46 PDB 2MJ5 "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2MJB "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media" 96.20 76 100.00 100.00 6.92e-46 PDB 2MOR "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings" 96.20 76 100.00 100.00 6.92e-46 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 100.00 79 100.00 100.00 1.50e-48 PDB 2MRO "Structure Of The Complex Of Ubiquitin And The Uba Domain From Dna- Damage-inducible 1 Protein (ddi1)" 96.20 76 100.00 100.00 6.92e-46 PDB 2MSG "Solid-state Nmr Structure Of Ubiquitin" 91.14 72 100.00 100.00 8.35e-43 PDB 2MUR "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex" 98.73 78 100.00 100.00 9.93e-48 PDB 2MWS "Structure Of The Complex Of Ubiquitin And The Ubiquitin-like (ubl) Domain Of Ddi1" 96.20 76 98.68 98.68 4.96e-45 PDB 2N2K "Ensemble Structure Of The Closed State Of Lys63-linked Diubiquitin In The Absence Of A Ligand" 89.87 71 100.00 100.00 6.28e-42 PDB 2NR2 "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote" 96.20 76 100.00 100.00 6.92e-46 PDB 2O6V "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph" 96.20 76 100.00 100.00 6.92e-46 PDB 2OJR "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag" 96.20 111 100.00 100.00 2.98e-45 PDB 2OOB "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2PE9 "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso" 96.20 76 100.00 100.00 6.92e-46 PDB 2PEA "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten" 96.20 76 100.00 100.00 6.92e-46 PDB 2QHO "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 2RSU "Alternative Structure Of Ubiquitin" 96.20 76 98.68 98.68 3.70e-45 PDB 2RU6 "The Pure Alternative State Of Ubiquitin" 96.20 76 98.68 98.68 3.70e-45 PDB 2W9N "Crystal Structure Of Linear Di-Ubiquitin" 94.94 152 100.00 100.00 6.70e-44 PDB 2WDT "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme" 94.94 76 100.00 100.00 4.70e-45 PDB 2WWZ "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121" 96.20 76 100.00 100.00 6.92e-46 PDB 2WX0 "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21" 96.20 76 100.00 100.00 6.92e-46 PDB 2WX1 "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121" 96.20 76 100.00 100.00 6.92e-46 PDB 2XBB "Nedd4 Hect:ub Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 2XEW "Crystal Structure Of K11-Linked Diubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2XK5 "Crystal Structure Of K6-Linked Diubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2Y5B "Structure Of Usp21 In Complex With Linear Diubiquitin-Aldehyde" 94.94 152 100.00 100.00 4.73e-44 PDB 2Z59 "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 2ZCB "Crystal Structure Of Ubiquitin P37aP38A" 96.20 76 97.37 97.37 3.92e-44 PDB 2ZCC "Ubiquitin Crystallized Under High Pressure" 96.20 76 100.00 100.00 6.92e-46 PDB 2ZNV "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer" 96.20 77 100.00 100.00 9.04e-46 PDB 2ZVN "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group" 96.20 154 100.00 100.00 6.98e-45 PDB 2ZVO "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group" 96.20 154 100.00 100.00 6.98e-45 PDB 3A1Q "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 96.20 76 100.00 100.00 6.92e-46 PDB 3A9J "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 3A9K "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 3AI5 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein" 93.67 307 100.00 100.00 1.95e-41 PDB 3ALB "Cyclic Lys48-Linked Tetraubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3AUL "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation" 96.20 76 100.00 100.00 6.92e-46 PDB 3AXC "Crystal Structure Of Linear Diubiquitin" 96.20 154 100.00 100.00 6.98e-45 PDB 3B08 "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 96.20 152 100.00 100.00 6.87e-45 PDB 3B0A "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 96.20 152 100.00 100.00 6.87e-45 PDB 3BY4 "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 94.94 75 100.00 100.00 4.57e-45 PDB 3C0R "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 94.94 75 100.00 100.00 4.57e-45 PDB 3DVG "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin" 100.00 80 100.00 100.00 1.88e-48 PDB 3DVN "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin" 100.00 80 100.00 100.00 1.88e-48 PDB 3EEC "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct" 96.20 76 100.00 100.00 6.92e-46 PDB 3EFU "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct" 96.20 76 100.00 100.00 6.92e-46 PDB 3EHV "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct" 96.20 76 100.00 100.00 6.92e-46 PDB 3H1U "Structure Of Ubiquitin In Complex With Cd Ions" 96.20 76 100.00 100.00 6.92e-46 PDB 3H7P "Crystal Structure Of K63-Linked Di-Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3H7S "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture" 96.20 76 98.68 98.68 3.31e-43 PDB 3HM3 "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3I3T "Crystal Structure Of Covalent Ubiquitin-usp21 Complex" 94.94 75 100.00 100.00 4.57e-45 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 94.94 75 100.00 100.00 4.57e-45 PDB 3IHP "Covalent Ubiquitin-Usp5 Complex" 94.94 75 100.00 100.00 4.57e-45 PDB 3JSV "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 3JVZ E2~ubiquitin-Hect 100.00 81 97.47 97.47 1.49e-46 PDB 3JW0 E2~ubiquitin-Hect 100.00 81 97.47 97.47 1.49e-46 PDB 3K9O "The Crystal Structure Of E2-25k And Ubb+1 Complex" 94.94 96 100.00 100.00 1.71e-44 PDB 3K9P "The Crystal Structure Of E2-25k And Ubiquitin Complex" 100.00 79 100.00 100.00 1.50e-48 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 94.94 75 100.00 100.00 4.57e-45 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 94.94 75 100.00 100.00 4.57e-45 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 92.41 73 100.00 100.00 2.15e-43 PDB 3M3J "A New Crystal Form Of Lys48-Linked Diubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 94.94 76 100.00 100.00 4.70e-45 PDB 3MTN "Usp21 In Complex With A Ubiquitin-based, Usp21-specific Inhibitor" 88.61 85 98.57 98.57 2.48e-40 PDB 3N30 "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct" 96.20 76 100.00 100.00 6.92e-46 PDB 3N32 "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt" 96.20 76 100.00 100.00 6.92e-46 PDB 3NHE "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3NOB "Structure Of K11-linked Di-ubiquitin" 98.73 78 100.00 100.00 9.93e-48 PDB 3NS8 "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5" 96.20 76 100.00 100.00 6.92e-46 PDB 3O65 "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity" 94.94 76 100.00 100.00 4.70e-45 PDB 3OFI "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3OJ3 "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex" 100.00 79 100.00 100.00 1.50e-48 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 100.00 79 100.00 100.00 1.50e-48 PDB 3ONS "Crystal Structure Of Human Ubiquitin In A New Crystal Form" 91.14 72 100.00 100.00 8.35e-43 PDB 3PHD "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3PHW "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin" 94.94 75 100.00 100.00 4.57e-45 PDB 3PRM "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 94.94 75 100.00 100.00 4.57e-45 PDB 3PRP "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 94.94 75 100.00 100.00 4.57e-45 PDB 3PT2 "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin" 94.94 75 100.00 100.00 4.57e-45 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 100.00 79 100.00 100.00 1.50e-48 PDB 3Q3F "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas" 94.94 189 100.00 100.00 6.11e-44 PDB 3RUL "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes" 94.94 79 100.00 100.00 5.05e-45 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 96.20 76 100.00 100.00 6.92e-46 PDB 3TMP "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 4.70e-45 PDB 3U30 "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin" 96.20 172 100.00 100.00 9.87e-45 PDB 3UGB "Ubch5c~ubiquitin Conjugate" 96.20 76 100.00 100.00 6.92e-46 PDB 3VDZ "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms" 96.20 111 100.00 100.00 1.45e-45 PDB 3VFK "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier" 94.94 79 100.00 100.00 5.05e-45 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3VUW "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I" 96.20 76 100.00 100.00 6.92e-46 PDB 3VUX "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii" 96.20 76 100.00 100.00 6.92e-46 PDB 3VUY "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 3WWQ "Crystal Structure Of Faap20 Ubz Domain In Complex With Lys63-linked Diubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 3WXE "Crystal Structure Of Cyld Usp Domain (c596s) In Complex With Met1- Linked Diubiquitin" 91.14 148 100.00 100.00 8.91e-42 PDB 3WXF "Crystal Structure Of Cyld Usp Domain (c596s E674q) In Complex With Met1-linked Diubiquitin" 91.14 148 100.00 100.00 8.91e-42 PDB 3WXG "Crystal Structure Of Cyld Usp Domain (c596a) In Complex With Lys63- Linked Diubiquitin" 91.14 72 100.00 100.00 8.35e-43 PDB 3ZLZ "Lys6-linked Tri-ubiquitin" 96.20 76 98.68 100.00 1.90e-45 PDB 3ZNH "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl." 94.94 76 100.00 100.00 4.70e-45 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 100.00 81 97.47 97.47 1.49e-46 PDB 3ZNZ "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin" 96.20 152 100.00 100.00 6.87e-45 PDB 4A18 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 1" 96.20 129 97.37 98.68 2.24e-44 PDB 4A19 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 2" 96.20 129 97.37 98.68 2.24e-44 PDB 4A1B "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 3" 96.20 129 97.37 98.68 2.24e-44 PDB 4A1D "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 4" 96.20 129 97.37 98.68 2.24e-44 PDB 4ADX "The Cryo-em Structure Of The Archaeal 50s Ribosomal Subunit In Complex With Initiation Factor 6" 96.20 129 97.37 98.68 2.24e-44 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 96.20 80 100.00 100.00 7.73e-46 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex." 100.00 81 97.47 97.47 1.49e-46 PDB 4BBN "Nedd4 Hect-ub:ub Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 4BOS "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide" 96.20 76 100.00 100.00 6.92e-46 PDB 4BOZ "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4BVU "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate" 96.20 76 100.00 100.00 6.92e-46 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 96.20 156 100.00 100.00 1.02e-45 PDB 4CXD "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 96.20 128 100.00 100.00 5.79e-46 PDB 4D5L "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 96.20 156 100.00 100.00 1.02e-45 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 96.20 156 100.00 100.00 1.02e-45 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 96.20 76 100.00 100.00 6.92e-46 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 96.20 76 100.00 100.00 6.92e-46 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 94.94 76 100.00 100.00 4.50e-45 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 94.94 76 100.00 100.00 4.50e-45 PDB 4FJV "Crystal Structure Of Human Otubain2 And Ubiquitin Complex" 98.73 86 98.72 100.00 3.94e-47 PDB 4HXD "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases" 94.94 75 100.00 100.00 4.57e-45 PDB 4I6N "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester" 93.67 75 100.00 100.00 4.64e-44 PDB 4IG7 "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester" 94.94 75 100.00 100.00 4.57e-45 PDB 4IUM "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin" 94.94 76 100.00 100.00 4.70e-45 PDB 4JIO "Bro1 V Domain And Ubiquitin" 96.20 76 98.68 98.68 4.86e-45 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4K1R "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin" 96.20 81 100.00 100.00 1.24e-45 PDB 4K7S "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 6.92e-46 PDB 4K7U "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 6.92e-46 PDB 4K7W "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 6.92e-46 PDB 4KSK "Gumby/fam105b In Complex With Ubiquitin" 96.20 80 100.00 100.00 7.73e-46 PDB 4KSL "Gumby/fam105b In Complex With Linear Di-ubiquitin" 96.20 156 100.00 100.00 7.39e-45 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 96.20 156 100.00 100.00 1.02e-45 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 96.20 156 100.00 100.00 1.02e-45 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 96.20 156 100.00 100.00 1.02e-45 PDB 4LCD "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3" 94.94 83 100.00 100.00 2.44e-45 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 96.20 76 100.00 100.00 6.92e-46 PDB 4LJO "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 4LJP "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 4M0W "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4MDK "Cdc34-ubiquitin-cc0651 Complex" 96.20 80 100.00 100.00 7.73e-46 PDB 4MM3 "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 4.70e-45 PDB 4MSM "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin" 96.20 81 100.00 100.00 1.24e-45 PDB 4MSQ "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin" 96.20 81 100.00 100.00 1.24e-45 PDB 4NQK "Structure Of An Ubiquitin Complex" 100.00 79 97.47 97.47 4.46e-46 PDB 4NQL "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin" 96.20 77 100.00 100.00 9.04e-46 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 100.00 79 97.47 97.47 4.46e-46 PDB 4PIG "Crystal Structure Of The Ubiquitin K11s Mutant" 96.20 76 98.68 98.68 3.43e-45 PDB 4PIH "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin" 96.20 76 98.68 98.68 3.43e-45 PDB 4PIJ "X-ray Crystal Structure Of The K11s/k63s Double Mutant Of Ubiquitin" 94.94 75 97.33 97.33 8.63e-44 PDB 4PQT "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And" 96.20 81 100.00 100.00 1.24e-45 PDB 4R62 "Structure Of Rad6~ub" 97.47 78 98.70 98.70 6.15e-46 PDB 4RF0 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 94.94 75 100.00 100.00 4.57e-45 PDB 4RF1 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 94.94 75 100.00 100.00 4.57e-45 PDB 4S1Z "Crystal Structure Of Trabid Nzf1 In Complex With K29 Linked Di- Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4S22 "Crystal Structure Of K29 Linked Di-ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4UEL "Uch-l5 In Complex With Ubiquitin-propargyl Bound To The Rpn13 Deubad Domain" 94.94 76 100.00 100.00 4.70e-45 PDB 4UF6 "Uch-l5 In Complex With Ubiquitin-propargyl Bound To An Activating Fragment Of Ino80g" 94.94 76 100.00 100.00 4.70e-45 PDB 4UN2 "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4UPX "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 96.20 128 100.00 100.00 5.79e-46 PDB 4UQ1 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 96.20 128 100.00 100.00 5.79e-46 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 96.20 156 100.00 100.00 1.02e-45 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 96.20 156 100.00 100.00 1.02e-45 PDB 4V3K "Rnf38-ubch5b-ub Complex" 100.00 81 97.47 97.47 1.49e-46 PDB 4V3L "Rnf38-ub-ubch5b-ub Complex" 100.00 81 97.47 97.47 1.49e-46 PDB 4W20 "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)" 96.20 128 100.00 100.00 5.79e-46 PDB 4W22 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 5.79e-46 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 96.20 156 100.00 100.00 1.02e-45 PDB 4W25 "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 5.79e-46 PDB 4W27 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 5.79e-46 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 96.20 156 100.00 100.00 1.02e-45 PDB 4WHV Rnf8/ubc13c87k~ub 96.20 83 100.00 100.00 2.12e-45 PDB 4WLR "Crystal Structure Of Much37-hrpn13 Ctd-hub Complex" 96.20 76 100.00 100.00 6.92e-46 PDB 4WUR "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4WZP "Ser65 Phosphorylated Ubiquitin, Major Conformation" 96.20 76 98.68 98.68 4.96e-45 PDB 4XKL "Crystal Structure Of Ndp52 Zf2 In Complex With Mono-ubiquitin" 96.20 80 100.00 100.00 1.22e-45 PDB 4XOF "Observing The Overall Rocking Motion Of A Protein In A Crystal - Orthorhombic Ubiquitin Crystals Without Zinc." 96.20 76 100.00 100.00 6.92e-46 PDB 4XOK "Observing The Overall Rocking Motion Of A Protein In A Crystal." 96.20 76 100.00 100.00 6.92e-46 PDB 4XOL "Observing The Overall Rocking Motion Of A Protein In A Crystal - Cubic Ubiquitin Crystals." 96.20 76 100.00 100.00 6.92e-46 PDB 4XYZ "Crystal Structure Of K33 Linked Di-ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4Y1H "Crystal Structure Of K33 Linked Tri-ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4Z9S "Non-covalent Assembly Of Monoubiquitin That Mimics K11 Poly-ubiquitin" 96.20 76 100.00 100.00 6.92e-46 PDB 4ZFR "Catalytic Domain Of Sst2 F403a Mutant Bound To Ubiquitin" 96.20 81 100.00 100.00 1.24e-45 PDB 4ZFT "Catalytic Domain Of Sst2 F403w Mutant Bound To Ubiquitin" 96.20 81 100.00 100.00 1.24e-45 PDB 4ZPZ "Crystal Structure Of Semi-synthetic Ubiquitin With Phospho-ser65 And Ala46cys" 96.20 76 97.37 97.37 1.93e-44 PDB 5A5B "Structure Of The 26s Proteasome-ubp6 Complex" 94.94 76 100.00 100.00 4.70e-45 PDB 5AF4 "Structure Of Lys33-linked Diub" 96.20 76 98.68 100.00 1.90e-45 PDB 5AF5 "Structure Of Lys33-linked Triub S.g. P 212121" 92.41 73 98.63 100.00 4.92e-43 PDB 5AF6 "Structure Of Lys33-linked Diub Bound To Trabid Nzf1" 96.20 76 98.68 100.00 1.90e-45 PDB 5AIT "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" 96.20 76 100.00 100.00 6.92e-46 PDB 5AIU "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" 96.20 76 100.00 100.00 6.92e-46 PDB 5CAW "Structure Of Pediculus Humanus Parkin Bound To Phospho-ubiquitin" 94.94 76 98.67 98.67 3.02e-44 DBJ BAA03983 "polyubiquitin [Rattus norvegicus]" 96.20 305 100.00 100.00 3.71e-43 DBJ BAA09860 "polyubiquitin [Homo sapiens]" 96.20 611 98.68 98.68 2.06e-40 DBJ BAA11842 "ubiquitin [Cavia porcellus]" 96.20 311 100.00 100.00 4.20e-43 DBJ BAA11843 "ubiquitin extention protein [Cavia porcellus]" 96.20 156 100.00 100.00 1.02e-45 DBJ BAA23486 "polyubiquitin [Homo sapiens]" 96.20 609 98.68 98.68 9.03e-41 EMBL CAA26488 "unnamed protein product [Gallus gallus]" 96.20 157 98.68 98.68 4.04e-44 EMBL CAA28495 "ubiquitin [Homo sapiens]" 96.20 229 100.00 100.00 6.59e-44 EMBL CAA30183 "unnamed protein product [Dictyostelium discoideum]" 96.20 128 97.37 97.37 1.04e-43 EMBL CAA30815 "unnamed protein product [Cricetulus sp.]" 89.87 223 100.00 100.00 5.62e-40 EMBL CAA33466 "unnamed protein product [Chlamydomonas reinhardtii]" 96.20 128 97.37 98.68 2.15e-44 GB AAA02769 "polyprotein [Bovine viral diarrhea virus 1-Osloss]" 94.94 3975 97.33 100.00 3.16e-39 GB AAA28154 "polyubiquitin [Caenorhabditis elegans]" 96.20 838 97.37 98.68 1.34e-39 GB AAA28997 "ubiquitin [Drosophila melanogaster]" 96.20 231 100.00 100.00 5.31e-44 GB AAA28998 "ubiquitin-hybrid protein precursor [Drosophila melanogaster]" 96.20 156 100.00 100.00 1.62e-45 GB AAA28999 "ubiquitin, partial [Drosophila melanogaster]" 96.20 76 100.00 100.00 6.92e-46 PIR I50437 "polyubiquitin 4 - chicken [Gallus gallus]" 96.20 305 100.00 100.00 3.71e-43 PIR I51568 "polyubiquitin - African clawed frog (fragment)" 96.20 167 100.00 100.00 9.74e-45 PIR I65237 "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat" 96.20 128 100.00 100.00 5.79e-46 PIR JN0790 "ubiquitin/ribosomal protein CEP52 fusion protein - Leishmania major" 96.20 128 97.37 98.68 4.22e-45 PIR S13928 "ubiquitin precursor - chicken [Gallus gallus]" 96.20 229 100.00 100.00 5.49e-44 PRF 0412265A ubiquitin 94.94 75 98.67 98.67 1.78e-44 PRF 1212243A "ubiquitin S1" 96.20 76 100.00 100.00 6.92e-46 PRF 1212243B "ubiquitin S5" 88.61 77 98.57 98.57 1.19e-40 PRF 1212243C "ubiquitin S3" 96.20 76 100.00 100.00 6.92e-46 PRF 1212243D "ubiquitin S2" 88.61 77 98.57 98.57 1.38e-40 REF NP_001005123 "ubiquitin-60S ribosomal protein L40 [Xenopus (Silurana) tropicalis]" 96.20 128 100.00 100.00 5.79e-46 REF NP_001006688 "ubiquitin C [Xenopus (Silurana) tropicalis]" 96.20 609 100.00 100.00 1.57e-41 REF NP_001009117 "polyubiquitin-B [Pan troglodytes]" 96.20 229 100.00 100.00 6.59e-44 REF NP_001009202 "polyubiquitin-B [Ovis aries]" 96.20 305 98.68 100.00 7.10e-43 REF NP_001009286 "ubiquitin-60S ribosomal protein L40 [Ovis aries]" 96.20 128 100.00 100.00 5.79e-46 SP P0C273 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 5.79e-46 SP P0C275 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 5.79e-46 SP P0C276 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 5.79e-46 SP P0CG47 "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 96.20 229 100.00 100.00 6.59e-44 SP P0CG48 "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 96.20 685 100.00 100.00 2.33e-41 TPD FAA00319 "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" 96.20 456 97.37 98.68 1.46e-40 TPE CEL68433 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Neospora caninum Liverpool]" 96.20 129 98.68 100.00 1.95e-45 TPE CEL70397 "TPA: Ubiquitin, related [Neospora caninum Liverpool]" 96.20 535 98.68 100.00 3.65e-41 TPE CEL75964 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Toxoplasma gondii VEG]" 96.20 129 98.68 100.00 1.95e-45 TPE CEL78064 "TPA: polyubiquitin, putative [Toxoplasma gondii VEG]" 96.20 307 98.68 100.00 1.39e-42 TPG DAA18802 "TPA: polyubiquitin [Bos taurus]" 96.20 305 100.00 100.00 4.04e-43 TPG DAA20663 "TPA: ubiquitin C [Bos taurus]" 94.94 314 98.67 100.00 1.24e-41 TPG DAA20672 "TPA: ubiquitin B-like [Bos taurus]" 96.20 77 98.68 98.68 5.88e-45 TPG DAA24675 "TPA: 40S ribosomal protein S27a [Bos taurus]" 96.20 156 100.00 100.00 1.02e-45 TPG DAA28295 "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]" 96.20 128 100.00 100.00 5.79e-46 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin-binding_zinc_finger_(UBZ)_domain_from_human_Rad18 _Molecular_mass 3628.145 _Mol_thiol_state 'all other bound' _Details . _Residue_count 33 _Mol_residue_sequence ; GSRQVTKVDCPVCGVNIPES HINKHLDSCLSRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 195 GLY 2 196 SER 3 197 ARG 4 198 GLN 5 199 VAL 6 200 THR 7 201 LYS 8 202 VAL 9 203 ASP 10 204 CYS 11 205 PRO 12 206 VAL 13 207 CYS 14 208 GLY 15 209 VAL 16 210 ASN 17 211 ILE 18 212 PRO 19 213 GLU 20 214 SER 21 215 HIS 22 216 ILE 23 217 ASN 24 218 LYS 25 219 HIS 26 220 LEU 27 221 ASP 28 222 SER 29 223 CYS 30 224 LEU 31 225 SER 32 226 ARG 33 227 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 25071 Rad18-UBZ 100.00 33 100.00 100.00 2.03e-14 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 100.00 33 100.00 100.00 2.03e-14 PDB 2MRF "Nmr Structure Of The Ubiquitin-binding Zinc Finger (ubz) Domain From Human Rad18" 100.00 33 100.00 100.00 2.03e-14 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) pET15b $entity_2 'recombinant technology' . Escherichia coli BL21(DE3) pGEX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N-UBZ_saturated_with_unlabeled_ubiquitin _Saveframe_category sample _Sample_type solution _Details 'UBZ concentrations are inexact since it has no aromatics' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' $entity_2 5 mM 'natural abundance' MOPS 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' $entity_ZN 0.05 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C-15N-ubiquitin_saturated_with_unlabeled_UBZ _Saveframe_category sample _Sample_type solution _Details 'UBZ concentrations are inexact since it has no aromatics' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 2 mM . . '[U-13C; U-15N]' $entity_2 . mM 7 10 'natural abundance' MOPS 25 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' $entity_ZN 0.05 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'water refinement' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angles' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_3D_15N/13C-filtered_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered NOESY' _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ save_3D_15N/13C-filtered_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered NOESY' _Sample_label $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ save_ ####################### # Sample conditions # ####################### save_MOPS_NMR_buffer _Saveframe_category sample_conditions _Details '25 mM MOPS, 50 mM NaCl, 0.05 mM ZnCl2, pH=6.5 before dilution to include 10% D20' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 125 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ stop_ _Sample_conditions_label $MOPS_NMR_buffer _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ubiquitin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET H H 9.144 0.04 1 2 1 4 MET HA H 4.646 0.04 1 3 1 4 MET HB2 H 1.893 0.04 2 4 1 4 MET HB3 H 1.873 0.04 2 5 1 4 MET HG2 H 1.989 0.04 2 6 1 4 MET HG3 H 2.335 0.04 2 7 1 4 MET C C 172.845 0.4 1 8 1 4 MET CA C 54.639 0.40 1 9 1 4 MET CB C 35.102 0.40 1 10 1 4 MET CG C 31.867 0.40 1 11 1 4 MET N N 120.065 0.40 1 12 2 5 GLN H H 8.374 0.04 1 13 2 5 GLN HA H 5.363 0.04 1 14 2 5 GLN HB2 H 1.589 0.04 2 15 2 5 GLN HB3 H 1.779 0.04 2 16 2 5 GLN HG2 H 2.180 0.04 2 17 2 5 GLN HG3 H 1.942 0.04 2 18 2 5 GLN HE21 H 7.696 0.04 1 19 2 5 GLN HE22 H 6.743 0.04 2 20 2 5 GLN C C 176.031 0.4 1 21 2 5 GLN CA C 54.298 0.40 1 22 2 5 GLN CB C 30.846 0.40 1 23 2 5 GLN CG C 34.555 0.40 1 24 2 5 GLN N N 120.901 0.40 1 25 2 5 GLN NE2 N 111.551 0.04 1 26 3 6 ILE H H 8.304 0.04 1 27 3 6 ILE HA H 4.155 0.04 1 28 3 6 ILE HB H 1.713 0.04 1 29 3 6 ILE HG12 H 0.790 0.04 2 30 3 6 ILE HG13 H 1.026 0.04 2 31 3 6 ILE HG2 H 0.598 0.04 1 32 3 6 ILE HD1 H 0.556 0.04 1 33 3 6 ILE C C 172.420 0.4 1 34 3 6 ILE CA C 59.485 0.40 1 35 3 6 ILE CB C 41.975 0.40 1 36 3 6 ILE CG1 C 24.843 0.40 1 37 3 6 ILE CG2 C 17.894 0.40 1 38 3 6 ILE CD1 C 14.071 0.40 1 39 3 6 ILE N N 114.155 0.40 1 40 4 7 PHE H H 8.591 0.04 1 41 4 7 PHE HA H 5.491 0.04 1 42 4 7 PHE HB2 H 2.812 0.04 2 43 4 7 PHE HB3 H 3.019 0.04 2 44 4 7 PHE C C 174.783 0.4 1 45 4 7 PHE CA C 55.216 0.40 1 46 4 7 PHE CB C 41.068 0.40 1 47 4 7 PHE N N 118.637 0.40 1 48 5 8 VAL H H 9.353 0.04 1 49 5 8 VAL HA H 4.687 0.04 1 50 5 8 VAL HB H 1.930 0.04 1 51 5 8 VAL HG1 H 0.700 0.04 1 52 5 8 VAL HG2 H 0.675 0.04 1 53 5 8 VAL C C 174.507 0.4 1 54 5 8 VAL CA C 60.687 0.40 1 55 5 8 VAL CB C 33.524 0.40 1 56 5 8 VAL CG1 C 20.475 0.40 1 57 5 8 VAL CG2 C 22.846 0.40 1 58 5 8 VAL N N 122.329 0.40 1 59 6 9 LYS H H 9.143 0.04 1 60 6 9 LYS HA H 5.447 0.04 1 61 6 9 LYS HB2 H 1.675 0.04 2 62 6 9 LYS HB3 H 1.325 0.04 2 63 6 9 LYS HG2 H 1.566 0.04 2 64 6 9 LYS HG3 H 1.268 0.04 2 65 6 9 LYS HD2 H 1.580 0.04 2 66 6 9 LYS HD3 H 1.580 0.04 2 67 6 9 LYS HE2 H 2.894 0.04 2 68 6 9 LYS HE3 H 2.894 0.04 2 69 6 9 LYS C C 177.564 0.4 1 70 6 9 LYS CA C 54.528 0.40 1 71 6 9 LYS CB C 35.446 0.40 1 72 6 9 LYS CG C 25.065 0.40 1 73 6 9 LYS CD C 29.576 0.40 1 74 6 9 LYS CE C 42.117 0.40 1 75 6 9 LYS N N 128.507 0.40 1 76 7 10 THR H H 8.903 0.04 1 77 7 10 THR HA H 5.172 0.04 1 78 7 10 THR HB H 4.905 0.04 1 79 7 10 THR HG2 H 1.223 0.04 1 80 7 10 THR C C 177.067 0.4 1 81 7 10 THR CA C 60.535 0.40 1 82 7 10 THR CB C 70.474 0.40 1 83 7 10 THR CG2 C 21.126 0.40 1 84 7 10 THR N N 115.899 0.40 1 85 8 11 LEU H H 9.348 0.04 1 86 8 11 LEU HA H 4.417 0.04 1 87 8 11 LEU HB2 H 1.999 0.04 2 88 8 11 LEU HB3 H 1.759 0.04 2 89 8 11 LEU HG H 2.042 0.04 1 90 8 11 LEU HD1 H 0.970 0.04 1 91 8 11 LEU HD2 H 1.104 0.04 1 92 8 11 LEU C C 178.319 0.4 1 93 8 11 LEU CA C 56.884 0.40 1 94 8 11 LEU CB C 40.955 0.40 1 95 8 11 LEU CG C 26.913 0.40 1 96 8 11 LEU CD1 C 22.841 0.40 1 97 8 11 LEU CD2 C 26.757 0.40 1 98 8 11 LEU N N 119.810 0.40 1 99 9 12 THR H H 7.634 0.04 1 100 9 12 THR HA H 4.463 0.04 1 101 9 12 THR HB H 4.597 0.04 1 102 9 12 THR HG2 H 1.180 0.04 1 103 9 12 THR C C 175.508 0.4 1 104 9 12 THR CA C 61.082 0.40 1 105 9 12 THR CB C 68.889 0.40 1 106 9 12 THR CG2 C 21.648 0.40 1 107 9 12 THR N N 104.851 0.40 1 108 10 13 GLY H H 7.672 0.04 1 109 10 13 GLY HA2 H 3.602 0.04 2 110 10 13 GLY HA3 H 4.326 0.04 2 111 10 13 GLY C C 174.073 0.4 1 112 10 13 GLY CA C 45.887 0.40 1 113 10 13 GLY N N 108.799 0.40 1 114 11 14 LYS H H 7.483 0.04 1 115 11 14 LYS HA H 4.387 0.04 1 116 11 14 LYS HB2 H 1.832 0.04 2 117 11 14 LYS HB3 H 1.715 0.04 2 118 11 14 LYS HG2 H 1.195 0.04 2 119 11 14 LYS HG3 H 1.389 0.04 2 120 11 14 LYS HD2 H 1.595 0.04 2 121 11 14 LYS HD3 H 1.595 0.04 2 122 11 14 LYS HE2 H 2.881 0.04 2 123 11 14 LYS HE3 H 2.881 0.04 2 124 11 14 LYS C C 175.797 0.4 1 125 11 14 LYS CA C 56.519 0.40 1 126 11 14 LYS CB C 33.470 0.40 1 127 11 14 LYS CG C 25.268 0.40 1 128 11 14 LYS CD C 29.423 0.40 1 129 11 14 LYS CE C 41.936 0.40 1 130 11 14 LYS N N 123.011 0.40 1 131 12 15 THR H H 8.701 0.04 1 132 12 15 THR HA H 5.022 0.04 1 133 12 15 THR HB H 3.912 0.04 1 134 12 15 THR HG2 H 1.051 0.04 1 135 12 15 THR C C 173.927 0.4 1 136 12 15 THR CA C 62.410 0.40 1 137 12 15 THR CB C 69.978 0.40 1 138 12 15 THR CG2 C 21.536 0.40 1 139 12 15 THR N N 121.542 0.40 1 140 13 16 ILE H H 9.673 0.04 1 141 13 16 ILE HA H 4.410 0.04 1 142 13 16 ILE HB H 1.846 0.04 1 143 13 16 ILE HG12 H 1.046 0.04 2 144 13 16 ILE HG13 H 1.425 0.04 2 145 13 16 ILE HG2 H 0.842 0.04 1 146 13 16 ILE HD1 H 0.690 0.04 1 147 13 16 ILE C C 175.089 0.4 1 148 13 16 ILE CA C 60.205 0.40 1 149 13 16 ILE CB C 40.989 0.40 1 150 13 16 ILE CG1 C 27.123 0.40 1 151 13 16 ILE CG2 C 17.647 0.40 1 152 13 16 ILE CD1 C 14.603 0.40 1 153 13 16 ILE N N 129.326 0.40 1 154 14 17 THR H H 8.788 0.04 1 155 14 17 THR HA H 4.902 0.04 1 156 14 17 THR HB H 4.002 0.04 1 157 14 17 THR HG2 H 1.086 0.04 1 158 14 17 THR C C 173.735 0.4 1 159 14 17 THR CA C 62.295 0.40 1 160 14 17 THR CB C 69.562 0.40 1 161 14 17 THR CG2 C 21.543 0.40 1 162 14 17 THR N N 122.917 0.40 1 163 15 18 LEU H H 8.738 0.04 1 164 15 18 LEU HA H 4.761 0.04 1 165 15 18 LEU HB2 H 1.345 0.04 2 166 15 18 LEU HB3 H 1.179 0.04 2 167 15 18 LEU HG H 1.403 0.04 1 168 15 18 LEU HD1 H 0.689 0.04 1 169 15 18 LEU HD2 H 0.728 0.04 1 170 15 18 LEU C C 174.822 0.4 1 171 15 18 LEU CA C 52.774 0.40 1 172 15 18 LEU CB C 46.774 0.40 1 173 15 18 LEU CG C 26.557 0.40 1 174 15 18 LEU CD1 C 27.049 0.40 1 175 15 18 LEU CD2 C 23.977 0.40 1 176 15 18 LEU N N 125.286 0.40 1 177 16 19 GLU H H 8.193 0.04 1 178 16 19 GLU HA H 4.874 0.04 1 179 16 19 GLU HB2 H 1.794 0.04 2 180 16 19 GLU HB3 H 1.853 0.04 2 181 16 19 GLU HG2 H 2.160 0.04 2 182 16 19 GLU HG3 H 2.042 0.04 2 183 16 19 GLU C C 175.895 0.4 1 184 16 19 GLU CA C 55.463 0.40 1 185 16 19 GLU CB C 30.423 0.40 1 186 16 19 GLU CG C 36.347 0.40 1 187 16 19 GLU N N 122.011 0.40 1 188 17 20 VAL H H 8.812 0.04 1 189 17 20 VAL HA H 4.723 0.04 1 190 17 20 VAL HB H 2.342 0.04 1 191 17 20 VAL HG1 H 0.655 0.04 1 192 17 20 VAL HG2 H 0.408 0.04 1 193 17 20 VAL C C 173.790 0.4 1 194 17 20 VAL CA C 58.699 0.40 1 195 17 20 VAL CB C 36.531 0.40 1 196 17 20 VAL CG1 C 22.060 0.40 1 197 17 20 VAL CG2 C 19.246 0.40 1 198 17 20 VAL N N 116.809 0.40 1 199 18 21 GLU H H 8.549 0.04 1 200 18 21 GLU HA H 4.936 0.04 1 201 18 21 GLU HB2 H 1.616 0.04 2 202 18 21 GLU HB3 H 2.032 0.04 2 203 18 21 GLU HG2 H 2.029 0.04 2 204 18 21 GLU HG3 H 2.124 0.04 2 205 18 21 GLU CA C 53.469 0.40 1 206 18 21 GLU CB C 31.329 0.40 1 207 18 21 GLU CG C 36.393 0.40 1 208 18 21 GLU N N 118.350 0.40 1 209 19 22 PRO HA H 4.083 0.04 1 210 19 22 PRO HB2 H 2.393 0.04 2 211 19 22 PRO HB3 H 1.962 0.04 2 212 19 22 PRO HG2 H 2.014 0.04 2 213 19 22 PRO HG3 H 2.140 0.04 2 214 19 22 PRO HD2 H 3.768 0.04 2 215 19 22 PRO HD3 H 3.878 0.04 2 216 19 22 PRO C C 175.250 0.4 1 217 19 22 PRO CA C 65.476 0.40 1 218 19 22 PRO CB C 31.840 0.40 1 219 19 22 PRO CG C 27.917 0.40 1 220 19 22 PRO CD C 50.741 0.40 1 221 20 23 SER H H 7.071 0.04 1 222 20 23 SER HA H 4.342 0.04 1 223 20 23 SER HB2 H 3.747 0.04 2 224 20 23 SER HB3 H 4.115 0.04 2 225 20 23 SER C C 174.574 0.4 1 226 20 23 SER CA C 57.351 0.40 1 227 20 23 SER CB C 63.368 0.40 1 228 20 23 SER N N 103.757 0.40 1 229 21 24 ASP H H 8.019 0.04 1 230 21 24 ASP HA H 4.643 0.04 1 231 21 24 ASP HB2 H 2.469 0.04 2 232 21 24 ASP HB3 H 2.897 0.04 2 233 21 24 ASP C C 176.320 0.4 1 234 21 24 ASP CA C 55.976 0.40 1 235 21 24 ASP CB C 40.935 0.40 1 236 21 24 ASP N N 123.881 0.40 1 237 22 25 THR H H 7.872 0.04 1 238 22 25 THR HA H 4.879 0.04 1 239 22 25 THR HB H 4.877 0.04 1 240 22 25 THR C C 176.720 0.4 1 241 22 25 THR CA C 59.607 0.40 1 242 22 25 THR CB C 71.138 0.40 1 243 22 25 THR N N 109.189 0.40 1 244 23 26 ILE H H 8.581 0.04 1 245 23 26 ILE HA H 3.611 0.04 1 246 23 26 ILE HB H 2.490 0.04 1 247 23 26 ILE HG12 H 1.289 0.04 2 248 23 26 ILE HG13 H 1.886 0.04 2 249 23 26 ILE HG2 H 0.721 0.04 1 250 23 26 ILE HD1 H 0.529 0.04 1 251 23 26 ILE CA C 62.184 0.40 1 252 23 26 ILE CB C 34.272 0.40 1 253 23 26 ILE CG1 C 27.601 0.40 1 254 23 26 ILE CG2 C 17.938 0.40 1 255 23 26 ILE CD1 C 9.072 0.40 1 256 23 26 ILE N N 121.391 0.40 1 257 24 27 GLU HA H 3.861 0.04 1 258 24 27 GLU HB2 H 1.977 0.04 2 259 24 27 GLU HB3 H 2.017 0.04 2 260 24 27 GLU HG2 H 2.318 0.04 2 261 24 27 GLU HG3 H 2.288 0.04 2 262 24 27 GLU C C 178.944 0.4 1 263 24 27 GLU CA C 60.514 0.40 1 264 24 27 GLU CB C 28.719 0.40 1 265 24 27 GLU CG C 36.224 0.40 1 266 25 28 ASN H H 7.920 0.04 1 267 25 28 ASN HA H 4.521 0.04 1 268 25 28 ASN HB2 H 2.829 0.04 2 269 25 28 ASN HB3 H 3.190 0.04 2 270 25 28 ASN HD21 H 7.882 0.04 1 271 25 28 ASN HD22 H 6.882 0.04 2 272 25 28 ASN C C 178.260 0.4 1 273 25 28 ASN CA C 55.941 0.40 1 274 25 28 ASN CB C 38.342 0.40 1 275 25 28 ASN N N 121.433 0.40 1 276 25 28 ASN ND2 N 109.591 0.04 1 277 26 29 VAL H H 8.129 0.04 1 278 26 29 VAL HA H 3.360 0.04 1 279 26 29 VAL HB H 2.324 0.04 1 280 26 29 VAL HG1 H 0.942 0.04 1 281 26 29 VAL HG2 H 0.659 0.04 1 282 26 29 VAL C C 177.758 0.4 1 283 26 29 VAL CA C 67.678 0.40 1 284 26 29 VAL CB C 30.844 0.40 1 285 26 29 VAL CG1 C 23.680 0.40 1 286 26 29 VAL CG2 C 21.057 0.40 1 287 26 29 VAL N N 122.450 0.40 1 288 27 30 LYS H H 8.606 0.04 1 289 27 30 LYS HA H 4.607 0.04 1 290 27 30 LYS HB2 H 1.971 0.04 2 291 27 30 LYS HB3 H 1.423 0.04 2 292 27 30 LYS HG2 H 1.459 0.04 2 293 27 30 LYS HG3 H 1.459 0.04 2 294 27 30 LYS HD2 H 1.667 0.04 2 295 27 30 LYS HD3 H 1.667 0.04 2 296 27 30 LYS HE2 H 2.720 0.04 2 297 27 30 LYS HE3 H 2.581 0.04 2 298 27 30 LYS C C 180.552 0.4 1 299 27 30 LYS CA C 59.233 0.40 1 300 27 30 LYS CB C 33.744 0.40 1 301 27 30 LYS CG C 26.414 0.40 1 302 27 30 LYS CD C 30.438 0.40 1 303 27 30 LYS CE C 42.574 0.40 1 304 27 30 LYS N N 119.093 0.40 1 305 28 31 ALA H H 8.018 0.04 1 306 28 31 ALA HA H 4.141 0.04 1 307 28 31 ALA HB H 1.601 0.04 1 308 28 31 ALA C C 180.203 0.4 1 309 28 31 ALA CA C 55.264 0.40 1 310 28 31 ALA CB C 17.759 0.40 1 311 28 31 ALA N N 123.538 0.40 1 312 29 32 LYS H H 7.970 0.04 1 313 29 32 LYS HA H 4.169 0.04 1 314 29 32 LYS HB2 H 2.124 0.04 2 315 29 32 LYS HB3 H 1.909 0.04 2 316 29 32 LYS HG2 H 1.778 0.04 2 317 29 32 LYS HG3 H 1.586 0.04 2 318 29 32 LYS HD2 H 1.765 0.04 2 319 29 32 LYS HD3 H 1.413 0.04 2 320 29 32 LYS HE2 H 2.925 0.04 2 321 29 32 LYS HE3 H 3.166 0.04 2 322 29 32 LYS C C 180.295 0.4 1 323 29 32 LYS CA C 59.799 0.40 1 324 29 32 LYS CB C 33.413 0.40 1 325 29 32 LYS CG C 26.327 0.40 1 326 29 32 LYS CD C 30.205 0.40 1 327 29 32 LYS CE C 42.299 0.40 1 328 29 32 LYS N N 120.634 0.40 1 329 30 33 ILE H H 8.277 0.04 1 330 30 33 ILE HA H 3.465 0.04 1 331 30 33 ILE HB H 2.300 0.04 1 332 30 33 ILE HG12 H 1.991 0.04 2 333 30 33 ILE HG13 H 0.655 0.04 2 334 30 33 ILE HG2 H 0.657 0.04 1 335 30 33 ILE HD1 H 0.856 0.04 1 336 30 33 ILE C C 178.109 0.4 1 337 30 33 ILE CA C 66.240 0.40 1 338 30 33 ILE CB C 36.819 0.40 1 339 30 33 ILE CG1 C 31.140 0.40 1 340 30 33 ILE CG2 C 17.079 0.40 1 341 30 33 ILE CD1 C 14.911 0.40 1 342 30 33 ILE N N 121.554 0.40 1 343 31 34 GLN H H 8.533 0.04 1 344 31 34 GLN HA H 3.805 0.04 1 345 31 34 GLN HB2 H 2.449 0.04 2 346 31 34 GLN HB3 H 1.969 0.04 2 347 31 34 GLN HG2 H 1.878 0.04 2 348 31 34 GLN HG3 H 2.239 0.04 2 349 31 34 GLN HE21 H 7.653 0.04 1 350 31 34 GLN HE22 H 6.812 0.04 2 351 31 34 GLN C C 178.933 0.4 1 352 31 34 GLN CA C 60.057 0.40 1 353 31 34 GLN CB C 27.806 0.40 1 354 31 34 GLN CG C 33.841 0.40 1 355 31 34 GLN N N 123.668 0.40 1 356 31 34 GLN NE2 N 109.752 0.04 1 357 32 35 ASP H H 8.183 0.04 1 358 32 35 ASP HA H 4.299 0.04 1 359 32 35 ASP HB2 H 2.809 0.04 2 360 32 35 ASP HB3 H 2.721 0.04 2 361 32 35 ASP C C 177.413 0.4 1 362 32 35 ASP CA C 57.518 0.40 1 363 32 35 ASP CB C 41.119 0.40 1 364 32 35 ASP N N 120.284 0.40 1 365 33 36 LYS H H 7.519 0.04 1 366 33 36 LYS HA H 4.255 0.04 1 367 33 36 LYS HB2 H 1.976 0.04 2 368 33 36 LYS HB3 H 1.813 0.04 2 369 33 36 LYS HG2 H 1.578 0.04 2 370 33 36 LYS HG3 H 1.583 0.04 2 371 33 36 LYS HD2 H 1.676 0.04 2 372 33 36 LYS HD3 H 1.676 0.04 2 373 33 36 LYS HE2 H 3.153 0.04 2 374 33 36 LYS HE3 H 3.093 0.04 2 375 33 36 LYS C C 177.920 0.4 1 376 33 36 LYS CA C 58.388 0.40 1 377 33 36 LYS CB C 34.010 0.40 1 378 33 36 LYS CG C 25.291 0.40 1 379 33 36 LYS CD C 28.926 0.40 1 380 33 36 LYS CE C 42.344 0.40 1 381 33 36 LYS N N 115.735 0.40 1 382 34 37 GLU H H 8.664 0.04 1 383 34 37 GLU HA H 4.545 0.04 1 384 34 37 GLU HB2 H 2.256 0.04 2 385 34 37 GLU HB3 H 1.631 0.04 2 386 34 37 GLU HG2 H 2.030 0.04 2 387 34 37 GLU HG3 H 2.132 0.04 2 388 34 37 GLU C C 177.854 0.4 1 389 34 37 GLU CA C 55.330 0.40 1 390 34 37 GLU CB C 33.286 0.40 1 391 34 37 GLU CG C 36.166 0.40 1 392 34 37 GLU N N 113.992 0.40 1 393 35 38 GLY H H 8.517 0.04 1 394 35 38 GLY HA2 H 3.889 0.04 2 395 35 38 GLY HA3 H 4.097 0.04 2 396 35 38 GLY C C 173.957 0.4 1 397 35 38 GLY CA C 45.960 0.40 1 398 35 38 GLY N N 109.282 0.40 1 399 36 39 ILE H H 6.130 0.04 1 400 36 39 ILE HA H 4.359 0.04 1 401 36 39 ILE HB H 1.372 0.04 1 402 36 39 ILE HG12 H 1.066 0.04 2 403 36 39 ILE HG13 H 1.357 0.04 2 404 36 39 ILE HG2 H 0.904 0.04 1 405 36 39 ILE HD1 H 0.741 0.04 1 406 36 39 ILE CA C 57.857 0.40 1 407 36 39 ILE CB C 40.555 0.40 1 408 36 39 ILE CG1 C 26.757 0.40 1 409 36 39 ILE CG2 C 18.105 0.40 1 410 36 39 ILE CD1 C 13.453 0.40 1 411 36 39 ILE N N 120.580 0.40 1 412 37 40 PRO HA H 4.605 0.04 1 413 37 40 PRO HB2 H 2.378 0.04 2 414 37 40 PRO HB3 H 1.936 0.04 2 415 37 40 PRO HG2 H 1.995 0.04 2 416 37 40 PRO HG3 H 2.072 0.04 2 417 37 40 PRO HD2 H 3.559 0.04 2 418 37 40 PRO HD3 H 4.168 0.04 2 419 37 40 PRO CA C 61.614 0.40 1 420 37 40 PRO CB C 31.683 0.40 1 421 37 40 PRO CG C 28.195 0.40 1 422 37 40 PRO CD C 51.006 0.40 1 423 38 41 PRO HA H 4.102 0.04 1 424 38 41 PRO HB2 H 2.234 0.04 2 425 38 41 PRO HB3 H 2.005 0.04 2 426 38 41 PRO HG2 H 1.601 0.04 2 427 38 41 PRO HG3 H 2.154 0.04 2 428 38 41 PRO HD2 H 3.726 0.04 2 429 38 41 PRO HD3 H 3.726 0.04 2 430 38 41 PRO C C 178.383 0.4 1 431 38 41 PRO CA C 66.064 0.40 1 432 38 41 PRO CB C 32.891 0.40 1 433 38 41 PRO CG C 27.707 0.40 1 434 38 41 PRO CD C 51.094 0.40 1 435 39 42 ASP H H 8.538 0.04 1 436 39 42 ASP HA H 4.358 0.04 1 437 39 42 ASP HB2 H 2.733 0.04 2 438 39 42 ASP HB3 H 2.643 0.04 2 439 39 42 ASP C C 177.038 0.4 1 440 39 42 ASP CA C 55.686 0.40 1 441 39 42 ASP CB C 39.711 0.40 1 442 39 42 ASP N N 113.741 0.40 1 443 40 43 GLN H H 7.799 0.04 1 444 40 43 GLN HA H 4.436 0.04 1 445 40 43 GLN HB2 H 2.374 0.04 2 446 40 43 GLN HB3 H 1.798 0.04 2 447 40 43 GLN HG2 H 2.382 0.04 2 448 40 43 GLN HG3 H 2.382 0.04 2 449 40 43 GLN HE21 H 7.617 0.04 1 450 40 43 GLN HE22 H 6.699 0.04 2 451 40 43 GLN C C 175.221 0.4 1 452 40 43 GLN CA C 55.517 0.40 1 453 40 43 GLN CB C 30.278 0.40 1 454 40 43 GLN CG C 34.702 0.40 1 455 40 43 GLN N N 117.382 0.40 1 456 40 43 GLN NE2 N 109.521 0.04 1 457 41 44 GLN H H 7.453 0.04 1 458 41 44 GLN HA H 4.080 0.04 1 459 41 44 GLN HB2 H 1.954 0.04 2 460 41 44 GLN HB3 H 1.827 0.04 2 461 41 44 GLN HG2 H 1.584 0.04 2 462 41 44 GLN HG3 H 2.513 0.04 2 463 41 44 GLN C C 175.508 0.4 1 464 41 44 GLN CA C 56.774 0.40 1 465 41 44 GLN CB C 30.787 0.40 1 466 41 44 GLN CG C 33.403 0.40 1 467 41 44 GLN N N 117.867 0.40 1 468 42 45 ARG H H 8.706 0.04 1 469 42 45 ARG HA H 4.464 0.04 1 470 42 45 ARG HB2 H 1.888 0.04 2 471 42 45 ARG HB3 H 1.603 0.04 2 472 42 45 ARG HG2 H 1.575 0.04 2 473 42 45 ARG HG3 H 1.308 0.04 2 474 42 45 ARG HD2 H 3.041 0.04 2 475 42 45 ARG HD3 H 2.845 0.04 2 476 42 45 ARG C C 174.052 0.4 1 477 42 45 ARG CA C 55.288 0.40 1 478 42 45 ARG CB C 32.241 0.40 1 479 42 45 ARG CG C 26.436 0.40 1 480 42 45 ARG CD C 45.434 0.40 1 481 42 45 ARG N N 124.860 0.40 1 482 43 46 LEU H H 8.926 0.04 1 483 43 46 LEU HA H 5.368 0.04 1 484 43 46 LEU HB2 H 1.084 0.04 2 485 43 46 LEU HB3 H 1.596 0.04 2 486 43 46 LEU HG H 1.449 0.04 1 487 43 46 LEU HD1 H 0.766 0.04 1 488 43 46 LEU HD2 H 0.730 0.04 1 489 43 46 LEU C C 175.602 0.4 1 490 43 46 LEU CA C 53.272 0.40 1 491 43 46 LEU CB C 45.274 0.40 1 492 43 46 LEU CG C 27.010 0.40 1 493 43 46 LEU CD1 C 24.232 0.40 1 494 43 46 LEU CD2 C 26.547 0.40 1 495 43 46 LEU N N 125.126 0.40 1 496 44 47 ILE H H 9.229 0.04 1 497 44 47 ILE HA H 5.112 0.04 1 498 44 47 ILE HB H 1.728 0.04 1 499 44 47 ILE HG12 H 1.272 0.04 2 500 44 47 ILE HG13 H 1.146 0.04 2 501 44 47 ILE HG2 H 0.670 0.04 1 502 44 47 ILE HD1 H 0.702 0.04 1 503 44 47 ILE C C 175.539 0.4 1 504 44 47 ILE CA C 58.541 0.40 1 505 44 47 ILE CB C 41.357 0.40 1 506 44 47 ILE CG1 C 27.973 0.40 1 507 44 47 ILE CG2 C 17.442 0.40 1 508 44 47 ILE CD1 C 13.597 0.40 1 509 44 47 ILE N N 123.154 0.40 1 510 45 48 PHE H H 8.988 0.04 1 511 45 48 PHE HA H 4.993 0.04 1 512 45 48 PHE HB2 H 3.096 0.04 2 513 45 48 PHE HB3 H 2.725 0.04 2 514 45 48 PHE C C 173.984 0.4 1 515 45 48 PHE CA C 57.392 0.40 1 516 45 48 PHE CB C 44.079 0.40 1 517 45 48 PHE N N 125.993 0.40 1 518 46 49 ALA H H 8.777 0.04 1 519 46 49 ALA HA H 3.676 0.04 1 520 46 49 ALA HB H 0.836 0.04 1 521 46 49 ALA C C 177.431 0.4 1 522 46 49 ALA CA C 52.448 0.40 1 523 46 49 ALA CB C 16.765 0.40 1 524 46 49 ALA N N 131.754 0.40 1 525 47 50 GLY H H 8.496 0.04 1 526 47 50 GLY HA2 H 3.304 0.04 2 527 47 50 GLY HA3 H 4.070 0.04 2 528 47 50 GLY C C 172.195 0.4 1 529 47 50 GLY CA C 46.215 0.40 1 530 47 50 GLY N N 102.476 0.40 1 531 48 51 LYS H H 7.838 0.04 1 532 48 51 LYS HA H 4.650 0.04 1 533 48 51 LYS HB2 H 1.834 0.04 2 534 48 51 LYS HB3 H 1.838 0.04 2 535 48 51 LYS HG2 H 1.511 0.04 2 536 48 51 LYS HG3 H 1.511 0.04 2 537 48 51 LYS HD2 H 1.883 0.04 2 538 48 51 LYS HD3 H 1.830 0.04 2 539 48 51 LYS HE2 H 3.128 0.04 2 540 48 51 LYS HE3 H 3.164 0.04 2 541 48 51 LYS C C 174.462 0.4 1 542 48 51 LYS CA C 54.347 0.40 1 543 48 51 LYS CB C 35.224 0.40 1 544 48 51 LYS CG C 24.339 0.40 1 545 48 51 LYS CD C 29.193 0.40 1 546 48 51 LYS CE C 42.199 0.40 1 547 48 51 LYS N N 118.026 0.40 1 548 49 52 GLN H H 8.794 0.04 1 549 49 52 GLN HA H 4.781 0.04 1 550 49 52 GLN HB2 H 1.999 0.04 2 551 49 52 GLN HB3 H 1.999 0.04 2 552 49 52 GLN HG2 H 2.014 0.04 2 553 49 52 GLN HG3 H 2.223 0.04 2 554 49 52 GLN C C 175.644 0.4 1 555 49 52 GLN CA C 54.761 0.40 1 556 49 52 GLN CB C 30.450 0.40 1 557 49 52 GLN CG C 35.335 0.40 1 558 49 52 GLN N N 121.979 0.40 1 559 50 53 LEU H H 8.578 0.04 1 560 50 53 LEU HA H 3.995 0.04 1 561 50 53 LEU HB2 H 1.435 0.04 2 562 50 53 LEU HB3 H 1.009 0.04 2 563 50 53 LEU HG H 1.386 0.04 1 564 50 53 LEU HD1 H 0.497 0.04 1 565 50 53 LEU HD2 H -0.181 0.04 1 566 50 53 LEU C C 176.618 0.4 1 567 50 53 LEU CA C 54.698 0.40 1 568 50 53 LEU CB C 41.067 0.40 1 569 50 53 LEU CG C 25.893 0.40 1 570 50 53 LEU CD1 C 25.947 0.40 1 571 50 53 LEU CD2 C 19.364 0.40 1 572 50 53 LEU N N 126.623 0.40 1 573 51 54 GLU H H 8.413 0.04 1 574 51 54 GLU HA H 4.498 0.04 1 575 51 54 GLU HB2 H 2.197 0.04 2 576 51 54 GLU HB3 H 1.933 0.04 2 577 51 54 GLU HG2 H 2.439 0.04 2 578 51 54 GLU HG3 H 2.354 0.04 2 579 51 54 GLU C C 175.448 0.4 1 580 51 54 GLU CA C 55.734 0.40 1 581 51 54 GLU CB C 32.008 0.40 1 582 51 54 GLU CG C 36.295 0.40 1 583 51 54 GLU N N 123.491 0.40 1 584 52 55 ASP H H 8.177 0.04 1 585 52 55 ASP HA H 4.338 0.04 1 586 52 55 ASP HB2 H 2.582 0.04 2 587 52 55 ASP HB3 H 2.495 0.04 2 588 52 55 ASP CA C 56.735 0.40 1 589 52 55 ASP CB C 40.710 0.40 1 590 52 55 ASP N N 120.516 0.40 1 591 53 56 GLY HA2 H 4.037 0.04 2 592 53 56 GLY HA3 H 4.008 0.04 2 593 53 56 GLY C C 174.769 0.4 1 594 53 56 GLY CA C 45.178 0.40 1 595 54 57 ARG H H 7.469 0.04 1 596 54 57 ARG HA H 4.691 0.04 1 597 54 57 ARG HB2 H 2.042 0.04 2 598 54 57 ARG HB3 H 2.215 0.04 2 599 54 57 ARG HG2 H 1.798 0.04 2 600 54 57 ARG HG3 H 1.590 0.04 2 601 54 57 ARG HD2 H 3.107 0.04 2 602 54 57 ARG HD3 H 3.042 0.04 2 603 54 57 ARG C C 175.346 0.4 1 604 54 57 ARG CA C 54.363 0.40 1 605 54 57 ARG CB C 32.727 0.40 1 606 54 57 ARG CG C 27.489 0.40 1 607 54 57 ARG CD C 43.141 0.40 1 608 54 57 ARG N N 119.448 0.40 1 609 55 58 THR H H 8.861 0.04 1 610 55 58 THR HA H 5.214 0.04 1 611 55 58 THR HB H 4.492 0.04 1 612 55 58 THR HG2 H 1.099 0.04 1 613 55 58 THR C C 176.503 0.4 1 614 55 58 THR CA C 59.748 0.40 1 615 55 58 THR CB C 72.442 0.40 1 616 55 58 THR CG2 C 22.103 0.40 1 617 55 58 THR N N 108.975 0.40 1 618 56 59 LEU H H 8.210 0.04 1 619 56 59 LEU HA H 4.027 0.04 1 620 56 59 LEU HB2 H 1.154 0.04 2 621 56 59 LEU HB3 H 2.078 0.04 2 622 56 59 LEU HG H 1.712 0.04 1 623 56 59 LEU HD1 H 0.591 0.04 1 624 56 59 LEU HD2 H 0.738 0.04 1 625 56 59 LEU C C 180.695 0.4 1 626 56 59 LEU CA C 58.627 0.40 1 627 56 59 LEU CB C 40.250 0.40 1 628 56 59 LEU CG C 26.540 0.40 1 629 56 59 LEU CD1 C 23.041 0.40 1 630 56 59 LEU CD2 C 26.908 0.40 1 631 56 59 LEU N N 117.898 0.40 1 632 57 60 SER H H 8.346 0.04 1 633 57 60 SER HA H 4.228 0.04 1 634 57 60 SER HB2 H 3.725 0.04 2 635 57 60 SER HB3 H 3.815 0.04 2 636 57 60 SER C C 178.231 0.4 1 637 57 60 SER CA C 61.123 0.40 1 638 57 60 SER CB C 62.379 0.40 1 639 57 60 SER N N 113.360 0.40 1 640 58 61 ASP H H 7.934 0.04 1 641 58 61 ASP HA H 4.257 0.04 1 642 58 61 ASP HB2 H 2.991 0.04 2 643 58 61 ASP HB3 H 2.265 0.04 2 644 58 61 ASP C C 177.422 0.4 1 645 58 61 ASP CA C 57.406 0.40 1 646 58 61 ASP CB C 40.387 0.40 1 647 58 61 ASP N N 124.637 0.40 1 648 59 62 TYR H H 7.251 0.04 1 649 59 62 TYR HA H 4.630 0.04 1 650 59 62 TYR HB2 H 3.475 0.04 2 651 59 62 TYR HB3 H 2.512 0.04 2 652 59 62 TYR C C 174.684 0.4 1 653 59 62 TYR CA C 58.393 0.40 1 654 59 62 TYR CB C 40.033 0.40 1 655 59 62 TYR N N 115.716 0.40 1 656 60 63 ASN H H 8.158 0.04 1 657 60 63 ASN HA H 4.335 0.04 1 658 60 63 ASN HB2 H 3.304 0.04 2 659 60 63 ASN HB3 H 2.788 0.04 2 660 60 63 ASN HD21 H 7.572 0.04 1 661 60 63 ASN HD22 H 6.827 0.04 2 662 60 63 ASN C C 174.293 0.4 1 663 60 63 ASN CA C 54.207 0.40 1 664 60 63 ASN CB C 37.415 0.40 1 665 60 63 ASN N N 115.950 0.40 1 666 60 63 ASN ND2 N 111.244 0.04 1 667 61 64 ILE H H 7.288 0.04 1 668 61 64 ILE HA H 3.345 0.04 1 669 61 64 ILE HB H 1.350 0.04 1 670 61 64 ILE HG12 H -0.502 0.04 2 671 61 64 ILE HG13 H 1.097 0.04 2 672 61 64 ILE HG2 H 0.449 0.04 1 673 61 64 ILE HD1 H 0.403 0.04 1 674 61 64 ILE C C 174.354 0.4 1 675 61 64 ILE CA C 62.785 0.40 1 676 61 64 ILE CB C 36.807 0.40 1 677 61 64 ILE CG1 C 28.594 0.40 1 678 61 64 ILE CG2 C 17.467 0.40 1 679 61 64 ILE CD1 C 14.674 0.40 1 680 61 64 ILE N N 119.182 0.40 1 681 62 65 GLN H H 7.639 0.04 1 682 62 65 GLN HA H 4.473 0.04 1 683 62 65 GLN HB2 H 2.214 0.04 2 684 62 65 GLN HB3 H 1.844 0.04 2 685 62 65 GLN HG2 H 2.322 0.04 2 686 62 65 GLN HG3 H 2.264 0.04 2 687 62 65 GLN HE21 H 6.820 0.04 1 688 62 65 GLN HE22 H 7.295 0.04 2 689 62 65 GLN C C 175.499 0.4 1 690 62 65 GLN CA C 53.560 0.40 1 691 62 65 GLN CB C 31.788 0.40 1 692 62 65 GLN CG C 33.559 0.40 1 693 62 65 GLN N N 125.061 0.40 1 694 62 65 GLN NE2 N 112.030 0.04 1 695 63 66 LYS H H 8.435 0.04 1 696 63 66 LYS HA H 3.925 0.04 1 697 63 66 LYS HB2 H 2.013 0.04 2 698 63 66 LYS HB3 H 1.850 0.04 2 699 63 66 LYS HG2 H 1.497 0.04 2 700 63 66 LYS HG3 H 1.464 0.04 2 701 63 66 LYS HD2 H 1.720 0.04 2 702 63 66 LYS HD3 H 1.720 0.04 2 703 63 66 LYS HE2 H 3.012 0.04 2 704 63 66 LYS HE3 H 3.012 0.04 2 705 63 66 LYS C C 176.002 0.4 1 706 63 66 LYS CA C 58.170 0.40 1 707 63 66 LYS CB C 32.554 0.40 1 708 63 66 LYS CG C 24.277 0.40 1 709 63 66 LYS CD C 29.748 0.40 1 710 63 66 LYS CE C 42.282 0.40 1 711 63 66 LYS N N 120.334 0.40 1 712 64 67 GLU H H 9.287 0.04 1 713 64 67 GLU HA H 3.320 0.04 1 714 64 67 GLU HB2 H 2.503 0.04 2 715 64 67 GLU HB3 H 2.370 0.04 2 716 64 67 GLU HG2 H 2.228 0.04 2 717 64 67 GLU HG3 H 2.197 0.04 2 718 64 67 GLU C C 175.195 0.4 1 719 64 67 GLU CA C 58.469 0.40 1 720 64 67 GLU CB C 26.047 0.40 1 721 64 67 GLU CG C 37.458 0.40 1 722 64 67 GLU N N 115.237 0.40 1 723 65 68 SER H H 7.759 0.04 1 724 65 68 SER HA H 4.580 0.04 1 725 65 68 SER HB2 H 3.868 0.04 2 726 65 68 SER HB3 H 3.618 0.04 2 727 65 68 SER C C 171.967 0.4 1 728 65 68 SER CA C 61.101 0.40 1 729 65 68 SER CB C 64.915 0.40 1 730 65 68 SER N N 115.316 0.40 1 731 66 69 THR H H 8.676 0.04 1 732 66 69 THR HA H 5.248 0.04 1 733 66 69 THR HB H 3.994 0.04 1 734 66 69 THR HG2 H 0.840 0.04 1 735 66 69 THR C C 173.440 0.4 1 736 66 69 THR CA C 62.453 0.40 1 737 66 69 THR CB C 70.381 0.40 1 738 66 69 THR CG2 C 21.103 0.40 1 739 66 69 THR N N 117.579 0.40 1 740 67 70 LEU H H 9.337 0.04 1 741 67 70 LEU HA H 4.984 0.04 1 742 67 70 LEU HB2 H 1.583 0.04 2 743 67 70 LEU HB3 H 1.583 0.04 2 744 67 70 LEU HG H 1.704 0.04 1 745 67 70 LEU HD1 H 0.566 0.04 1 746 67 70 LEU HD2 H 0.634 0.04 1 747 67 70 LEU C C 175.134 0.4 1 748 67 70 LEU CA C 53.969 0.40 1 749 67 70 LEU CB C 44.366 0.40 1 750 67 70 LEU CG C 29.731 0.40 1 751 67 70 LEU CD1 C 25.556 0.40 1 752 67 70 LEU CD2 C 24.717 0.40 1 753 67 70 LEU N N 127.831 0.40 1 754 68 71 HIS H H 9.125 0.04 1 755 68 71 HIS HA H 5.332 0.04 1 756 68 71 HIS HB2 H 2.870 0.04 2 757 68 71 HIS HB3 H 2.827 0.04 2 758 68 71 HIS CA C 56.481 0.40 1 759 68 71 HIS CB C 32.569 0.40 1 760 68 71 HIS N N 119.168 0.40 1 761 69 72 LEU H H 8.516 0.04 1 762 69 72 LEU HA H 5.091 0.04 1 763 69 72 LEU HB2 H 1.414 0.04 2 764 69 72 LEU HB3 H 1.022 0.04 2 765 69 72 LEU HG H 1.250 0.04 1 766 69 72 LEU HD1 H 0.753 0.04 1 767 69 72 LEU HD2 H 0.653 0.04 1 768 69 72 LEU C C 174.275 0.4 1 769 69 72 LEU CA C 53.534 0.40 1 770 69 72 LEU CB C 44.574 0.40 1 771 69 72 LEU CG C 27.640 0.40 1 772 69 72 LEU CD1 C 23.311 0.40 1 773 69 72 LEU CD2 C 26.026 0.40 1 774 69 72 LEU N N 124.015 0.40 1 775 70 73 VAL H H 9.221 0.04 1 776 70 73 VAL HA H 4.118 0.04 1 777 70 73 VAL HB H 1.863 0.04 1 778 70 73 VAL HG1 H 0.892 0.04 1 779 70 73 VAL HG2 H 0.909 0.04 1 780 70 73 VAL C C 173.580 0.4 1 781 70 73 VAL CA C 61.357 0.40 1 782 70 73 VAL CB C 34.702 0.40 1 783 70 73 VAL CG1 C 21.507 0.40 1 784 70 73 VAL CG2 C 21.506 0.40 1 785 70 73 VAL N N 129.337 0.40 1 786 71 74 LEU H H 8.465 0.04 1 787 71 74 LEU HA H 5.112 0.04 1 788 71 74 LEU HB2 H 1.705 0.04 2 789 71 74 LEU HB3 H 1.462 0.04 2 790 71 74 LEU HG H 1.654 0.04 1 791 71 74 LEU HD1 H 0.801 0.04 1 792 71 74 LEU HD2 H 0.924 0.04 1 793 71 74 LEU C C 177.924 0.4 1 794 71 74 LEU CA C 53.799 0.40 1 795 71 74 LEU CB C 42.032 0.40 1 796 71 74 LEU CG C 28.023 0.40 1 797 71 74 LEU CD1 C 24.382 0.40 1 798 71 74 LEU CD2 C 24.938 0.40 1 799 71 74 LEU N N 126.166 0.40 1 800 72 75 ARG H H 8.975 0.04 1 801 72 75 ARG HA H 4.315 0.04 1 802 72 75 ARG HB2 H 1.501 0.04 2 803 72 75 ARG HB3 H 1.744 0.04 2 804 72 75 ARG HG2 H 1.454 0.04 2 805 72 75 ARG HG3 H 1.454 0.04 2 806 72 75 ARG HD2 H 3.091 0.04 2 807 72 75 ARG HD3 H 3.091 0.04 2 808 72 75 ARG C C 175.200 0.4 1 809 72 75 ARG CA C 56.108 0.40 1 810 72 75 ARG CB C 31.412 0.40 1 811 72 75 ARG CG C 27.709 0.40 1 812 72 75 ARG CD C 43.752 0.40 1 813 72 75 ARG N N 124.879 0.40 1 814 73 76 LEU H H 8.168 0.04 1 815 73 76 LEU HA H 4.360 0.04 1 816 73 76 LEU HB2 H 1.607 0.04 2 817 73 76 LEU HB3 H 1.536 0.04 2 818 73 76 LEU HG H 1.592 0.04 1 819 73 76 LEU HD1 H 0.850 0.04 1 820 73 76 LEU HD2 H 0.913 0.04 1 821 73 76 LEU C C 177.545 0.4 1 822 73 76 LEU CA C 54.862 0.40 1 823 73 76 LEU CB C 42.349 0.40 1 824 73 76 LEU CG C 27.317 0.40 1 825 73 76 LEU CD1 C 23.372 0.40 1 826 73 76 LEU CD2 C 24.999 0.40 1 827 73 76 LEU N N 123.827 0.40 1 828 74 77 ARG H H 8.502 0.04 1 829 74 77 ARG HA H 4.256 0.04 1 830 74 77 ARG HB2 H 1.743 0.04 2 831 74 77 ARG HB3 H 1.816 0.04 2 832 74 77 ARG HG2 H 1.579 0.04 2 833 74 77 ARG HG3 H 1.628 0.04 2 834 74 77 ARG HD2 H 3.164 0.04 2 835 74 77 ARG HD3 H 3.164 0.04 2 836 74 77 ARG C C 176.848 0.4 1 837 74 77 ARG CA C 56.534 0.40 1 838 74 77 ARG CB C 30.710 0.40 1 839 74 77 ARG CG C 27.100 0.40 1 840 74 77 ARG CD C 43.309 0.40 1 841 74 77 ARG N N 122.614 0.40 1 842 75 78 GLY H H 8.506 0.04 1 843 75 78 GLY HA2 H 3.940 0.04 2 844 75 78 GLY HA3 H 3.940 0.04 2 845 75 78 GLY C C 173.625 0.4 1 846 75 78 GLY CA C 45.276 0.40 1 847 75 78 GLY N N 111.362 0.40 1 848 76 79 GLY H H 7.938 0.04 1 849 76 79 GLY N N 115.178 0.40 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $13C-15N-UBZ_saturated_with_unlabeled_ubiquitin $13C-15N-ubiquitin_saturated_with_unlabeled_UBZ stop_ _Sample_conditions_label $MOPS_NMR_buffer _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ubiquitin-binding_zinc_finger_(UBZ)_domain_from_human_Rad18 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 198 4 GLN H H 8.471 0.04 1 2 198 4 GLN HA H 4.366 0.04 1 3 198 4 GLN HB2 H 2.049 0.04 2 4 198 4 GLN HB3 H 1.969 0.04 2 5 198 4 GLN HG2 H 2.339 0.04 2 6 198 4 GLN HG3 H 2.339 0.04 2 7 198 4 GLN HE21 H 7.509 0.04 1 8 198 4 GLN HE22 H 6.872 0.04 2 9 198 4 GLN C C 175.756 0.4 1 10 198 4 GLN CA C 55.730 0.40 1 11 198 4 GLN CB C 29.582 0.40 1 12 198 4 GLN CG C 33.822 0.40 1 13 198 4 GLN N N 122.569 0.40 1 14 198 4 GLN NE2 N 112.315 0.04 1 15 199 5 VAL H H 8.319 0.04 1 16 199 5 VAL HA H 4.194 0.04 1 17 199 5 VAL HB H 2.079 0.04 1 18 199 5 VAL HG1 H 0.946 0.04 1 19 199 5 VAL HG2 H 0.946 0.04 1 20 199 5 VAL C C 175.972 0.4 1 21 199 5 VAL CA C 62.116 0.40 1 22 199 5 VAL CB C 32.936 0.40 1 23 199 5 VAL CG1 C 20.675 0.40 1 24 199 5 VAL CG2 C 20.675 0.40 1 25 199 5 VAL N N 122.497 0.40 1 26 200 6 THR H H 8.544 0.04 1 27 200 6 THR HA H 4.266 0.04 1 28 200 6 THR HB H 4.102 0.04 1 29 200 6 THR HG2 H 1.167 0.04 1 30 200 6 THR C C 174.141 0.4 1 31 200 6 THR CA C 62.854 0.40 1 32 200 6 THR CB C 69.548 0.40 1 33 200 6 THR CG2 C 22.077 0.40 1 34 200 6 THR N N 121.902 0.40 1 35 201 7 LYS H H 8.658 0.04 1 36 201 7 LYS HA H 4.824 0.04 1 37 201 7 LYS HB2 H 1.555 0.04 2 38 201 7 LYS HB3 H 1.618 0.04 2 39 201 7 LYS HG2 H 0.951 0.04 2 40 201 7 LYS HG3 H 1.448 0.04 2 41 201 7 LYS HD2 H 1.474 0.04 2 42 201 7 LYS HD3 H 1.474 0.04 2 43 201 7 LYS HE2 H 2.801 0.04 2 44 201 7 LYS HE3 H 2.788 0.04 2 45 201 7 LYS C C 175.287 0.4 1 46 201 7 LYS CA C 55.287 0.40 1 47 201 7 LYS CB C 34.871 0.40 1 48 201 7 LYS CG C 25.347 0.40 1 49 201 7 LYS CD C 29.064 0.40 1 50 201 7 LYS CE C 42.139 0.40 1 51 201 7 LYS N N 126.406 0.40 1 52 202 8 VAL H H 9.049 0.04 1 53 202 8 VAL HA H 4.562 0.04 1 54 202 8 VAL HB H 2.130 0.04 1 55 202 8 VAL HG1 H 0.683 0.04 1 56 202 8 VAL HG2 H 0.785 0.04 1 57 202 8 VAL C C 172.829 0.4 1 58 202 8 VAL CA C 58.397 0.40 1 59 202 8 VAL CB C 35.361 0.40 1 60 202 8 VAL CG1 C 18.271 0.40 1 61 202 8 VAL CG2 C 22.081 0.40 1 62 202 8 VAL N N 115.133 0.40 1 63 203 9 ASP H H 8.241 0.04 1 64 203 9 ASP HA H 5.196 0.04 1 65 203 9 ASP HB2 H 2.071 0.04 2 66 203 9 ASP HB3 H 2.319 0.04 2 67 203 9 ASP C C 176.176 0.4 1 68 203 9 ASP CA C 52.027 0.40 1 69 203 9 ASP CB C 41.041 0.40 1 70 203 9 ASP N N 120.131 0.40 1 71 204 10 CYS H H 8.959 0.04 1 72 204 10 CYS HA H 4.288 0.04 1 73 204 10 CYS HB2 H 2.410 0.04 2 74 204 10 CYS HB3 H 3.112 0.04 2 75 204 10 CYS CA C 57.180 0.40 1 76 204 10 CYS CB C 30.632 0.40 1 77 204 10 CYS N N 126.182 0.40 1 78 205 11 PRO HA H 4.151 0.04 1 79 205 11 PRO HB2 H 1.275 0.04 2 80 205 11 PRO HB3 H 1.596 0.04 2 81 205 11 PRO HG2 H 1.679 0.04 2 82 205 11 PRO HG3 H 1.679 0.04 2 83 205 11 PRO HD2 H 4.135 0.04 2 84 205 11 PRO HD3 H 3.836 0.04 2 85 205 11 PRO C C 175.274 0.4 1 86 205 11 PRO CA C 63.745 0.40 1 87 205 11 PRO CB C 31.217 0.40 1 88 205 11 PRO CG C 26.816 0.40 1 89 205 11 PRO CD C 50.506 0.40 1 90 206 12 VAL H H 9.503 0.04 1 91 206 12 VAL HA H 3.819 0.04 1 92 206 12 VAL HB H 2.514 0.04 1 93 206 12 VAL HG1 H 0.810 0.04 1 94 206 12 VAL HG2 H 0.656 0.04 1 95 206 12 VAL C C 176.797 0.4 1 96 206 12 VAL CA C 64.952 0.40 1 97 206 12 VAL CB C 32.282 0.40 1 98 206 12 VAL CG1 C 22.277 0.40 1 99 206 12 VAL CG2 C 22.053 0.40 1 100 206 12 VAL N N 124.265 0.40 1 101 207 13 CYS H H 8.421 0.04 1 102 207 13 CYS HA H 4.879 0.04 1 103 207 13 CYS HB2 H 2.499 0.04 2 104 207 13 CYS HB3 H 3.207 0.04 2 105 207 13 CYS C C 177.094 0.4 1 106 207 13 CYS CA C 58.752 0.40 1 107 207 13 CYS CB C 32.508 0.40 1 108 207 13 CYS N N 118.345 0.40 1 109 208 14 GLY H H 7.822 0.04 1 110 208 14 GLY HA2 H 3.717 0.04 2 111 208 14 GLY HA3 H 4.089 0.04 2 112 208 14 GLY C C 173.543 0.4 1 113 208 14 GLY CA C 46.117 0.40 1 114 208 14 GLY N N 113.039 0.40 1 115 209 15 VAL H H 8.170 0.04 1 116 209 15 VAL HA H 3.931 0.04 1 117 209 15 VAL HB H 2.035 0.04 1 118 209 15 VAL HG1 H 0.858 0.04 1 119 209 15 VAL HG2 H 0.707 0.04 1 120 209 15 VAL C C 173.147 0.4 1 121 209 15 VAL CA C 63.236 0.40 1 122 209 15 VAL CB C 31.910 0.40 1 123 209 15 VAL CG1 C 22.044 0.40 1 124 209 15 VAL CG2 C 21.082 0.40 1 125 209 15 VAL N N 122.128 0.40 1 126 210 16 ASN H H 8.157 0.04 1 127 210 16 ASN HA H 5.305 0.04 1 128 210 16 ASN HB2 H 2.507 0.04 2 129 210 16 ASN HB3 H 2.741 0.04 2 130 210 16 ASN HD21 H 7.790 0.04 1 131 210 16 ASN HD22 H 6.384 0.04 2 132 210 16 ASN C C 174.827 0.4 1 133 210 16 ASN CA C 53.727 0.40 1 134 210 16 ASN CB C 41.088 0.40 1 135 210 16 ASN N N 125.100 0.40 1 136 210 16 ASN ND2 N 111.169 0.04 1 137 211 17 ILE H H 9.296 0.04 1 138 211 17 ILE HA H 4.800 0.04 1 139 211 17 ILE HB H 1.697 0.04 1 140 211 17 ILE HG12 H 1.034 0.04 2 141 211 17 ILE HG13 H 1.034 0.04 2 142 211 17 ILE HG2 H 0.737 0.04 1 143 211 17 ILE HD1 H 0.379 0.04 1 144 211 17 ILE CA C 57.771 0.40 1 145 211 17 ILE CB C 41.806 0.40 1 146 211 17 ILE CG1 C 25.322 0.40 1 147 211 17 ILE CG2 C 17.662 0.40 1 148 211 17 ILE CD1 C 13.015 0.40 1 149 211 17 ILE N N 124.695 0.40 1 150 212 18 PRO HA H 4.493 0.04 1 151 212 18 PRO HB2 H 2.230 0.04 2 152 212 18 PRO HB3 H 1.624 0.04 2 153 212 18 PRO HG2 H 1.693 0.04 2 154 212 18 PRO HG3 H 1.857 0.04 2 155 212 18 PRO HD2 H 3.408 0.04 2 156 212 18 PRO HD3 H 3.772 0.04 2 157 212 18 PRO C C 178.137 0.4 1 158 212 18 PRO CA C 63.370 0.40 1 159 212 18 PRO CB C 31.943 0.40 1 160 212 18 PRO CG C 28.476 0.40 1 161 212 18 PRO CD C 50.915 0.40 1 162 213 19 GLU H H 8.964 0.04 1 163 213 19 GLU HA H 3.758 0.04 1 164 213 19 GLU HB2 H 2.015 0.04 2 165 213 19 GLU HB3 H 1.875 0.04 2 166 213 19 GLU HG2 H 2.278 0.04 2 167 213 19 GLU HG3 H 2.167 0.04 2 168 213 19 GLU C C 178.381 0.4 1 169 213 19 GLU CA C 59.968 0.40 1 170 213 19 GLU CB C 29.493 0.40 1 171 213 19 GLU CG C 35.968 0.40 1 172 213 19 GLU N N 126.299 0.40 1 173 214 20 SER H H 8.312 0.04 1 174 214 20 SER HA H 4.215 0.04 1 175 214 20 SER HB2 H 4.019 0.04 2 176 214 20 SER HB3 H 3.930 0.04 2 177 214 20 SER C C 175.479 0.4 1 178 214 20 SER CA C 60.183 0.40 1 179 214 20 SER CB C 62.620 0.40 1 180 214 20 SER N N 112.128 0.40 1 181 215 21 HIS H H 8.109 0.04 1 182 215 21 HIS HA H 4.987 0.04 1 183 215 21 HIS HB2 H 3.397 0.04 2 184 215 21 HIS HB3 H 2.984 0.04 2 185 215 21 HIS C C 176.980 0.4 1 186 215 21 HIS CA C 55.335 0.40 1 187 215 21 HIS CB C 32.531 0.40 1 188 215 21 HIS N N 120.226 0.40 1 189 216 22 ILE H H 7.576 0.04 1 190 216 22 ILE HA H 4.141 0.04 1 191 216 22 ILE HB H 1.784 0.04 1 192 216 22 ILE HG12 H 1.330 0.04 2 193 216 22 ILE HG13 H 1.452 0.04 2 194 216 22 ILE HG2 H 1.142 0.04 1 195 216 22 ILE HD1 H 0.929 0.04 1 196 216 22 ILE C C 175.534 0.4 1 197 216 22 ILE CA C 62.250 0.40 1 198 216 22 ILE CB C 38.160 0.40 1 199 216 22 ILE CG1 C 29.594 0.40 1 200 216 22 ILE CG2 C 19.172 0.40 1 201 216 22 ILE CD1 C 13.693 0.40 1 202 216 22 ILE N N 119.955 0.40 1 203 217 23 ASN H H 8.467 0.04 1 204 217 23 ASN HA H 4.292 0.04 1 205 217 23 ASN HB2 H 2.526 0.04 2 206 217 23 ASN HB3 H 2.771 0.04 2 207 217 23 ASN C C 176.857 0.4 1 208 217 23 ASN CA C 58.829 0.40 1 209 217 23 ASN CB C 38.707 0.40 1 210 217 23 ASN N N 121.785 0.40 1 211 218 24 LYS H H 8.044 0.04 1 212 218 24 LYS HA H 4.125 0.04 1 213 218 24 LYS HB2 H 1.767 0.04 2 214 218 24 LYS HB3 H 1.811 0.04 2 215 218 24 LYS HG2 H 1.476 0.04 2 216 218 24 LYS HG3 H 1.476 0.04 2 217 218 24 LYS HD2 H 1.696 0.04 2 218 218 24 LYS HD3 H 1.696 0.04 2 219 218 24 LYS HE2 H 2.959 0.04 2 220 218 24 LYS HE3 H 2.959 0.04 2 221 218 24 LYS C C 179.720 0.4 1 222 218 24 LYS CA C 58.495 0.40 1 223 218 24 LYS CB C 31.780 0.40 1 224 218 24 LYS CG C 24.755 0.40 1 225 218 24 LYS CD C 29.106 0.40 1 226 218 24 LYS CE C 42.146 0.40 1 227 218 24 LYS N N 120.745 0.40 1 228 219 25 HIS H H 8.417 0.04 1 229 219 25 HIS HA H 4.189 0.04 1 230 219 25 HIS HB2 H 3.150 0.04 2 231 219 25 HIS HB3 H 3.237 0.04 2 232 219 25 HIS C C 177.912 0.4 1 233 219 25 HIS CA C 60.119 0.40 1 234 219 25 HIS CB C 28.517 0.40 1 235 219 25 HIS N N 118.175 0.40 1 236 220 26 LEU H H 8.832 0.04 1 237 220 26 LEU HA H 3.781 0.04 1 238 220 26 LEU HB2 H 1.361 0.04 2 239 220 26 LEU HB3 H 2.033 0.04 2 240 220 26 LEU HG H 1.959 0.04 1 241 220 26 LEU HD1 H 0.824 0.04 1 242 220 26 LEU HD2 H 0.932 0.04 1 243 220 26 LEU C C 177.346 0.4 1 244 220 26 LEU CA C 57.981 0.40 1 245 220 26 LEU CB C 41.436 0.40 1 246 220 26 LEU CG C 27.298 0.40 1 247 220 26 LEU CD1 C 27.421 0.40 1 248 220 26 LEU CD2 C 24.774 0.40 1 249 220 26 LEU N N 120.394 0.40 1 250 221 27 ASP H H 7.695 0.04 1 251 221 27 ASP HA H 4.239 0.04 1 252 221 27 ASP HB2 H 2.885 0.04 2 253 221 27 ASP HB3 H 2.651 0.04 2 254 221 27 ASP C C 178.430 0.4 1 255 221 27 ASP CA C 57.433 0.40 1 256 221 27 ASP CB C 39.548 0.40 1 257 221 27 ASP N N 117.206 0.40 1 258 222 28 SER H H 7.084 0.04 1 259 222 28 SER HA H 4.490 0.04 1 260 222 28 SER HB2 H 3.826 0.04 2 261 222 28 SER HB3 H 3.826 0.04 2 262 222 28 SER C C 174.480 0.4 1 263 222 28 SER CA C 59.899 0.40 1 264 222 28 SER CB C 63.779 0.40 1 265 222 28 SER N N 112.049 0.40 1 266 223 29 CYS H H 8.394 0.04 1 267 223 29 CYS HA H 3.796 0.04 1 268 223 29 CYS HB2 H 2.509 0.04 2 269 223 29 CYS HB3 H 2.013 0.04 2 270 223 29 CYS C C 177.193 0.4 1 271 223 29 CYS CA C 63.304 0.40 1 272 223 29 CYS CB C 30.791 0.40 1 273 223 29 CYS N N 127.419 0.40 1 274 224 30 LEU H H 8.173 0.04 1 275 224 30 LEU HA H 4.104 0.04 1 276 224 30 LEU HB2 H 1.506 0.04 2 277 224 30 LEU HB3 H 1.775 0.04 2 278 224 30 LEU HG H 1.677 0.04 1 279 224 30 LEU HD1 H 0.738 0.04 1 280 224 30 LEU HD2 H 0.796 0.04 1 281 224 30 LEU C C 177.683 0.4 1 282 224 30 LEU CA C 55.666 0.40 1 283 224 30 LEU CB C 42.305 0.40 1 284 224 30 LEU CG C 26.947 0.40 1 285 224 30 LEU CD1 C 24.061 0.40 1 286 224 30 LEU CD2 C 26.857 0.40 1 287 224 30 LEU N N 114.322 0.40 1 288 225 31 SER H H 7.858 0.04 1 289 225 31 SER HA H 4.419 0.04 1 290 225 31 SER HB2 H 3.808 0.04 2 291 225 31 SER HB3 H 3.808 0.04 2 292 225 31 SER C C 173.360 0.4 1 293 225 31 SER CA C 58.244 0.40 1 294 225 31 SER CB C 63.837 0.40 1 295 225 31 SER N N 114.496 0.40 1 296 226 32 ARG H H 8.098 0.04 1 297 226 32 ARG N N 125.493 0.40 1 stop_ save_