data_16895 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of UBB+1, frameshift mutant of ubiquitin B ; _BMRB_accession_number 16895 _BMRB_flat_file_name bmr16895.str _Entry_type original _Submission_date 2010-04-22 _Accession_date 2010-04-22 _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 Lee Weontae . . 2 Ko Sunggeon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 534 "13C chemical shifts" 380 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-02 original author . stop_ _Original_release_date 2011-05-02 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title Null _Citation_status 'in preparation' _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 Lee Weontae . . 2 Ko Sunggeon . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBB+1 (ubiquitin B mutant)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBB+1 $UBB+1 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_UBB+1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBB+1 _Molecular_mass 11539.073 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSLVPRGSMQIFVKTLTGKT ITLEVEPSDTIENVKAKIQD KEGIPPDQQRLIFAGKQLED GRTLSEYNIQKESTLHLVLR LRGYADLREDPDRQDHHPGS GAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 SER 3 -5 LEU 4 -4 VAL 5 -3 PRO 6 -2 ARG 7 -1 GLY 8 0 SER 9 1 MET 10 2 GLN 11 3 ILE 12 4 PHE 13 5 VAL 14 6 LYS 15 7 THR 16 8 LEU 17 9 THR 18 10 GLY 19 11 LYS 20 12 THR 21 13 ILE 22 14 THR 23 15 LEU 24 16 GLU 25 17 VAL 26 18 GLU 27 19 PRO 28 20 SER 29 21 ASP 30 22 THR 31 23 ILE 32 24 GLU 33 25 ASN 34 26 VAL 35 27 LYS 36 28 ALA 37 29 LYS 38 30 ILE 39 31 GLN 40 32 ASP 41 33 LYS 42 34 GLU 43 35 GLY 44 36 ILE 45 37 PRO 46 38 PRO 47 39 ASP 48 40 GLN 49 41 GLN 50 42 ARG 51 43 LEU 52 44 ILE 53 45 PHE 54 46 ALA 55 47 GLY 56 48 LYS 57 49 GLN 58 50 LEU 59 51 GLU 60 52 ASP 61 53 GLY 62 54 ARG 63 55 THR 64 56 LEU 65 57 SER 66 58 GLU 67 59 TYR 68 60 ASN 69 61 ILE 70 62 GLN 71 63 LYS 72 64 GLU 73 65 SER 74 66 THR 75 67 LEU 76 68 HIS 77 69 LEU 78 70 VAL 79 71 LEU 80 72 ARG 81 73 LEU 82 74 ARG 83 75 GLY 84 76 TYR 85 77 ALA 86 78 ASP 87 79 LEU 88 80 ARG 89 81 GLU 90 82 ASP 91 83 PRO 92 84 ASP 93 85 ARG 94 86 GLN 95 87 ASP 96 88 HIS 97 89 HIS 98 90 PRO 99 91 GLY 100 92 SER 101 93 GLY 102 94 ALA 103 95 GLN 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 72.82 76 97.33 98.67 4.84e-43 BMRB 11547 ubiquitin 72.82 76 97.33 98.67 4.84e-43 BMRB 15047 denatured_ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 15410 Ubi 72.82 76 98.67 100.00 8.41e-44 BMRB 15689 UBB 100.00 103 100.00 100.00 2.59e-67 BMRB 15907 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 16582 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 16626 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 17181 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 17439 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 17769 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 17919 entity 72.82 76 98.67 100.00 8.41e-44 BMRB 18582 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 18583 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 18584 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 18610 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 18611 Ubiquitin_A_state 72.82 76 98.67 100.00 8.41e-44 BMRB 18737 UBIQUITIN 72.82 76 98.67 100.00 8.41e-44 BMRB 19406 entity 72.82 152 98.67 100.00 8.78e-43 BMRB 19412 entity 72.82 152 98.67 100.00 8.78e-43 BMRB 25070 Ubiquitin 72.82 79 98.67 100.00 1.11e-43 BMRB 25123 Ubiquitin 69.90 72 98.61 100.00 1.32e-41 BMRB 26604 Ubiquitin_(microcrystalline) 72.82 76 98.67 100.00 8.41e-44 BMRB 4245 ubiquitin 72.82 76 98.67 100.00 8.41e-44 BMRB 4375 Ubiquitin 72.82 76 98.67 100.00 8.41e-44 PDB 1AAR "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)" 72.82 76 98.67 100.00 8.41e-44 PDB 1CMX "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases" 72.82 76 98.67 100.00 8.51e-44 PDB 1D3Z "Ubiquitin Nmr Structure" 72.82 76 98.67 100.00 8.41e-44 PDB 1F9J "Structure Of A New Crystal Form Of Tetraubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 1G6J "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles" 71.84 76 98.65 100.00 1.08e-42 PDB 1GJZ "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin" 51.46 53 100.00 100.00 2.07e-27 PDB 1NBF "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde" 72.82 76 98.67 100.00 8.51e-44 PDB 1P3Q "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9" 72.82 76 98.67 100.00 8.41e-44 PDB 1Q5W "Ubiquitin Recognition By Npl4 Zinc-Fingers" 72.82 76 98.67 100.00 8.41e-44 PDB 1S1Q "Tsg101(Uev) Domain In Complex With Ubiquitin" 71.84 76 98.65 100.00 1.08e-42 PDB 1TBE "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed" 72.82 76 98.67 100.00 8.41e-44 PDB 1UBI "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1" 72.82 76 98.67 100.00 8.41e-44 PDB 1UBQ "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution" 72.82 76 98.67 100.00 8.41e-44 PDB 1UZX "A Complex Of The Vps23 Uev With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 1V80 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 72.82 76 98.67 100.00 8.41e-44 PDB 1V81 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 72.82 76 98.67 100.00 8.41e-44 PDB 1WR6 "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 1WRD "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 72.82 75 98.67 100.00 8.28e-44 PDB 1XQQ "Simultaneous Determination Of Protein Structure And Dynamics" 72.82 76 98.67 100.00 8.41e-44 PDB 1YD8 "Complex Of Human Gga3 Gat Domain And Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 1YIW "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin" 72.82 76 97.33 100.00 4.59e-43 PDB 1ZGU "Solution Structure Of The Human Mms2-Ubiquitin Complex" 72.82 76 97.33 100.00 3.07e-43 PDB 2AYO "Structure Of Usp14 Bound To Ubquitin Aldehyde" 72.82 76 98.67 100.00 8.51e-44 PDB 2BGF "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data" 72.82 76 98.67 100.00 8.41e-44 PDB 2C7M "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2C7N "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2D3G "Double Sided Ubiquitin Binding Of Hrs-Uim" 72.82 76 98.67 100.00 8.41e-44 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2DX5 "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2FCQ "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group" 72.82 76 97.33 100.00 4.59e-43 PDB 2FID "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2FIF "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 2G45 "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2GMI Mms2UBC13~UBIQUITIN 72.82 76 98.67 100.00 8.41e-44 PDB 2HD5 "Usp2 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2HTH "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain" 72.82 76 98.67 100.00 8.41e-44 PDB 2IBI "Covalent Ubiquitin-Usp2 Complex" 72.82 75 98.67 100.00 8.28e-44 PDB 2J7Q "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U" 72.82 75 98.67 100.00 8.28e-44 PDB 2JF5 "Crystal Structure Of Lys63-Linked Di-Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 72.82 76 98.67 100.00 8.41e-44 PDB 2JY6 "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain" 72.82 76 98.67 100.00 8.41e-44 PDB 2JZZ "Solid-State Nmr Structure Of Microcrystalline Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2K25 "Automated Nmr Structure Of The Ubb By Fapsy" 100.00 103 100.00 100.00 2.59e-67 PDB 2K39 "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution" 72.82 76 98.67 100.00 8.41e-44 PDB 2K6D "Cin85 Sh3-C Domain In Complex With Ubiquitin" 72.82 76 98.67 100.00 6.70e-44 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KDE "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" 72.82 76 98.67 100.00 8.41e-44 PDB 2KDF "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" 72.82 76 98.67 100.00 8.41e-44 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 72.82 79 98.67 100.00 1.11e-43 PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 72.82 76 98.67 100.00 6.70e-44 PDB 2KLG "Pere Nmr Structure Of Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KN5 "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its " 72.82 76 98.67 100.00 8.41e-44 PDB 2KOX "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KTF "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2KX0 "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B" 100.00 103 100.00 100.00 2.59e-67 PDB 2L0F "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 72.82 76 98.67 100.00 8.41e-44 PDB 2L3Z "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2LD9 "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs" 72.82 77 98.67 100.00 1.12e-43 PDB 2LJ5 "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings" 72.82 76 98.67 100.00 8.41e-44 PDB 2LVO "Structure Of The Gp78cue Domain Bound To Monubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2LVP "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2LVQ "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2LZ6 "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 72.82 76 98.67 100.00 8.41e-44 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 72.82 78 98.67 100.00 1.04e-43 PDB 2MBH "Nmr Structure Of Eklf(22-40)/ubiquitin Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 2MBO "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl" 72.82 76 98.67 100.00 8.41e-44 PDB 2MBQ "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl" 72.82 76 98.67 100.00 8.41e-44 PDB 2MCN "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 72.82 76 98.67 100.00 8.41e-44 PDB 2MJ5 "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2MJB "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media" 72.82 76 98.67 100.00 8.41e-44 PDB 2MOR "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings" 72.82 76 98.67 100.00 8.41e-44 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 72.82 79 98.67 100.00 1.11e-43 PDB 2MRO "Structure Of The Complex Of Ubiquitin And The Uba Domain From Dna- Damage-inducible 1 Protein (ddi1)" 72.82 76 98.67 100.00 8.41e-44 PDB 2MSG "Solid-state Nmr Structure Of Ubiquitin" 69.90 72 98.61 100.00 1.32e-41 PDB 2MUR "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex" 72.82 78 98.67 100.00 1.04e-43 PDB 2MWS "Structure Of The Complex Of Ubiquitin And The Ubiquitin-like (ubl) Domain Of Ddi1" 72.82 76 97.33 98.67 7.01e-43 PDB 2N2K "Ensemble Structure Of The Closed State Of Lys63-linked Diubiquitin In The Absence Of A Ligand" 68.93 71 98.59 100.00 9.78e-41 PDB 2NR2 "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote" 72.82 76 98.67 100.00 8.41e-44 PDB 2O6V "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph" 72.82 76 98.67 100.00 8.41e-44 PDB 2OJR "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag" 73.79 111 97.37 100.00 1.46e-43 PDB 2OOB "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2PE9 "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso" 72.82 76 98.67 100.00 8.41e-44 PDB 2PEA "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten" 72.82 76 98.67 100.00 8.41e-44 PDB 2QHO "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 2RSU "Alternative Structure Of Ubiquitin" 72.82 76 97.33 98.67 4.84e-43 PDB 2RU6 "The Pure Alternative State Of Ubiquitin" 72.82 76 97.33 98.67 4.84e-43 PDB 2W9N "Crystal Structure Of Linear Di-Ubiquitin" 71.84 152 98.65 100.00 9.09e-42 PDB 2WDT "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme" 72.82 76 98.67 100.00 8.51e-44 PDB 2WWZ "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121" 72.82 76 98.67 100.00 8.41e-44 PDB 2WX0 "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21" 72.82 76 98.67 100.00 8.41e-44 PDB 2WX1 "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121" 72.82 76 98.67 100.00 8.41e-44 PDB 2XBB "Nedd4 Hect:ub Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 2XEW "Crystal Structure Of K11-Linked Diubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2XK5 "Crystal Structure Of K6-Linked Diubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2Z59 "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 2ZCC "Ubiquitin Crystallized Under High Pressure" 72.82 76 98.67 100.00 8.41e-44 PDB 2ZNV "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer" 72.82 77 98.67 100.00 1.01e-43 PDB 2ZVN "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group" 74.76 154 98.70 100.00 2.73e-44 PDB 2ZVO "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group" 74.76 154 98.70 100.00 2.73e-44 PDB 3A1Q "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 72.82 76 98.67 100.00 8.41e-44 PDB 3A9J "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 3A9K "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 3AI5 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein" 73.79 307 98.68 100.00 8.99e-42 PDB 3ALB "Cyclic Lys48-Linked Tetraubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3AUL "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation" 72.82 76 98.67 100.00 8.41e-44 PDB 3AXC "Crystal Structure Of Linear Diubiquitin" 74.76 154 98.70 100.00 2.73e-44 PDB 3B08 "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 72.82 152 98.67 100.00 8.78e-43 PDB 3B0A "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 72.82 152 98.67 100.00 8.78e-43 PDB 3BY4 "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 72.82 75 98.67 100.00 8.28e-44 PDB 3C0R "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 72.82 75 98.67 100.00 8.28e-44 PDB 3DVG "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin" 72.82 80 98.67 100.00 1.36e-43 PDB 3DVN "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin" 72.82 80 98.67 100.00 1.36e-43 PDB 3EEC "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct" 72.82 76 98.67 100.00 8.41e-44 PDB 3EFU "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct" 72.82 76 98.67 100.00 8.41e-44 PDB 3EHV "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct" 72.82 76 98.67 100.00 8.41e-44 PDB 3H1U "Structure Of Ubiquitin In Complex With Cd Ions" 72.82 76 98.67 100.00 8.41e-44 PDB 3H7P "Crystal Structure Of K63-Linked Di-Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3H7S "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture" 73.79 76 97.37 98.68 5.40e-42 PDB 3HM3 "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3I3T "Crystal Structure Of Covalent Ubiquitin-usp21 Complex" 72.82 75 98.67 100.00 8.28e-44 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 72.82 75 98.67 100.00 8.28e-44 PDB 3IHP "Covalent Ubiquitin-Usp5 Complex" 72.82 75 98.67 100.00 8.28e-44 PDB 3JSV "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 3JVZ E2~ubiquitin-Hect 74.76 81 98.70 100.00 3.01e-45 PDB 3JW0 E2~ubiquitin-Hect 74.76 81 98.70 100.00 3.01e-45 PDB 3K9O "The Crystal Structure Of E2-25k And Ubb+1 Complex" 92.23 96 98.95 100.00 1.89e-60 PDB 3K9P "The Crystal Structure Of E2-25k And Ubiquitin Complex" 72.82 79 98.67 100.00 1.11e-43 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 72.82 75 98.67 100.00 8.28e-44 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 72.82 75 98.67 100.00 8.28e-44 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 70.87 73 98.63 100.00 3.30e-42 PDB 3M3J "A New Crystal Form Of Lys48-Linked Diubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 72.82 76 98.67 100.00 8.51e-44 PDB 3N30 "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct" 72.82 76 98.67 100.00 8.41e-44 PDB 3N32 "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt" 72.82 76 98.67 100.00 8.41e-44 PDB 3NHE "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3NOB "Structure Of K11-linked Di-ubiquitin" 72.82 78 98.67 100.00 1.04e-43 PDB 3NS8 "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5" 72.82 76 98.67 100.00 8.41e-44 PDB 3O65 "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity" 72.82 76 98.67 100.00 8.51e-44 PDB 3OFI "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3OJ3 "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex" 72.82 79 98.67 100.00 1.11e-43 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 72.82 79 98.67 100.00 1.11e-43 PDB 3ONS "Crystal Structure Of Human Ubiquitin In A New Crystal Form" 69.90 72 98.61 100.00 1.32e-41 PDB 3PHD "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3PHW "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin" 72.82 75 98.67 100.00 8.28e-44 PDB 3PRM "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 72.82 75 98.67 100.00 8.28e-44 PDB 3PRP "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 72.82 75 98.67 100.00 8.28e-44 PDB 3PT2 "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin" 72.82 75 98.67 100.00 8.28e-44 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 72.82 79 98.67 100.00 1.11e-43 PDB 3Q3F "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas" 71.84 189 98.65 100.00 5.88e-42 PDB 3RUL "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes" 72.82 79 98.67 100.00 8.75e-44 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 72.82 76 98.67 100.00 8.41e-44 PDB 3TMP "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde" 72.82 76 98.67 100.00 8.51e-44 PDB 3U30 "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin" 75.73 172 97.44 98.72 3.73e-44 PDB 3UGB "Ubch5c~ubiquitin Conjugate" 72.82 76 98.67 100.00 8.41e-44 PDB 3VDZ "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms" 73.79 111 97.37 100.00 7.07e-44 PDB 3VFK "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier" 72.82 79 98.67 100.00 8.75e-44 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3VUW "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I" 72.82 76 98.67 100.00 8.41e-44 PDB 3VUX "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii" 72.82 76 98.67 100.00 8.41e-44 PDB 3VUY "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 3WWQ "Crystal Structure Of Faap20 Ubz Domain In Complex With Lys63-linked Diubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 3WXE "Crystal Structure Of Cyld Usp Domain (c596s) In Complex With Met1- Linked Diubiquitin" 72.82 148 97.33 98.67 3.30e-42 PDB 3WXF "Crystal Structure Of Cyld Usp Domain (c596s E674q) In Complex With Met1-linked Diubiquitin" 72.82 148 97.33 98.67 3.30e-42 PDB 3WXG "Crystal Structure Of Cyld Usp Domain (c596a) In Complex With Lys63- Linked Diubiquitin" 69.90 72 98.61 100.00 1.32e-41 PDB 3ZLZ "Lys6-linked Tri-ubiquitin" 72.82 76 97.33 100.00 3.07e-43 PDB 3ZNH "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl." 72.82 76 98.67 100.00 8.51e-44 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 74.76 81 98.70 100.00 3.01e-45 PDB 3ZNZ "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin" 72.82 152 98.67 100.00 8.78e-43 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 72.82 80 98.67 100.00 8.43e-44 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex." 74.76 81 98.70 100.00 3.01e-45 PDB 4BBN "Nedd4 Hect-ub:ub Complex" 72.82 76 98.67 100.00 6.70e-44 PDB 4BOS "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide" 72.82 76 98.67 100.00 8.41e-44 PDB 4BOZ "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4BVU "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate" 72.82 76 98.67 100.00 8.41e-44 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 74.76 156 97.40 98.70 2.14e-43 PDB 4CXD "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 72.82 128 98.67 100.00 9.67e-44 PDB 4D5L "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 74.76 156 97.40 98.70 2.14e-43 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 74.76 156 97.40 98.70 2.14e-43 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 72.82 76 98.67 100.00 8.41e-44 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 72.82 76 98.67 100.00 8.41e-44 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 72.82 76 98.67 100.00 6.70e-44 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 72.82 76 98.67 100.00 6.70e-44 PDB 4FJV "Crystal Structure Of Human Otubain2 And Ubiquitin Complex" 72.82 86 98.67 100.00 1.93e-43 PDB 4HXD "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases" 72.82 75 98.67 100.00 8.28e-44 PDB 4I6N "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester" 71.84 75 98.65 100.00 9.44e-43 PDB 4IG7 "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester" 72.82 75 98.67 100.00 8.28e-44 PDB 4IUM "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin" 72.82 76 98.67 100.00 8.51e-44 PDB 4JIO "Bro1 V Domain And Ubiquitin" 72.82 76 97.33 98.67 5.64e-43 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4K1R "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin" 76.70 81 97.47 98.73 8.08e-46 PDB 4K7S "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub" 72.82 76 98.67 100.00 8.41e-44 PDB 4K7U "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub" 72.82 76 98.67 100.00 8.41e-44 PDB 4K7W "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub" 72.82 76 98.67 100.00 8.41e-44 PDB 4KSK "Gumby/fam105b In Complex With Ubiquitin" 72.82 80 98.67 100.00 8.43e-44 PDB 4KSL "Gumby/fam105b In Complex With Linear Di-ubiquitin" 72.82 156 98.67 100.00 1.02e-42 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 74.76 156 97.40 98.70 2.14e-43 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 74.76 156 97.40 98.70 2.14e-43 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 74.76 156 97.40 98.70 2.14e-43 PDB 4LCD "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3" 71.84 83 98.65 100.00 5.16e-43 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 72.82 76 98.67 100.00 8.41e-44 PDB 4LJO "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 4LJP "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 4M0W "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4MDK "Cdc34-ubiquitin-cc0651 Complex" 72.82 80 98.67 100.00 8.43e-44 PDB 4MM3 "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde" 72.82 76 98.67 100.00 8.51e-44 PDB 4MSM "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin" 76.70 81 97.47 98.73 8.08e-46 PDB 4MSQ "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin" 76.70 81 97.47 98.73 8.08e-46 PDB 4NQK "Structure Of An Ubiquitin Complex" 72.82 79 98.67 100.00 1.93e-43 PDB 4NQL "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin" 72.82 77 98.67 100.00 1.01e-43 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 72.82 79 98.67 100.00 1.93e-43 PDB 4PIG "Crystal Structure Of The Ubiquitin K11s Mutant" 72.82 76 97.33 98.67 4.69e-43 PDB 4PIH "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin" 72.82 76 97.33 98.67 4.69e-43 PDB 4PQT "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And" 76.70 81 97.47 98.73 8.08e-46 PDB 4R62 "Structure Of Rad6~ub" 72.82 78 98.67 100.00 1.07e-43 PDB 4RF0 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 72.82 75 98.67 100.00 8.28e-44 PDB 4RF1 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 72.82 75 98.67 100.00 8.28e-44 PDB 4S1Z "Crystal Structure Of Trabid Nzf1 In Complex With K29 Linked Di- Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4S22 "Crystal Structure Of K29 Linked Di-ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4UEL "Uch-l5 In Complex With Ubiquitin-propargyl Bound To The Rpn13 Deubad Domain" 72.82 76 98.67 100.00 8.51e-44 PDB 4UF6 "Uch-l5 In Complex With Ubiquitin-propargyl Bound To An Activating Fragment Of Ino80g" 72.82 76 98.67 100.00 8.51e-44 PDB 4UN2 "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4UPX "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 72.82 128 98.67 100.00 9.67e-44 PDB 4UQ1 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 72.82 128 98.67 100.00 9.67e-44 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 74.76 156 97.40 98.70 2.14e-43 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 74.76 156 97.40 98.70 2.14e-43 PDB 4V3K "Rnf38-ubch5b-ub Complex" 74.76 81 98.70 100.00 3.01e-45 PDB 4V3L "Rnf38-ub-ubch5b-ub Complex" 74.76 81 98.70 100.00 3.01e-45 PDB 4W20 "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)" 72.82 128 98.67 100.00 9.67e-44 PDB 4W22 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)" 72.82 128 98.67 100.00 9.67e-44 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 74.76 156 97.40 98.70 2.14e-43 PDB 4W25 "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 72.82 128 98.67 100.00 9.67e-44 PDB 4W27 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 72.82 128 98.67 100.00 9.67e-44 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 74.76 156 97.40 98.70 2.14e-43 PDB 4WHV Rnf8/ubc13c87k~ub 72.82 83 98.67 100.00 2.93e-43 PDB 4WLR "Crystal Structure Of Much37-hrpn13 Ctd-hub Complex" 72.82 76 98.67 100.00 8.41e-44 PDB 4WUR "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4WZP "Ser65 Phosphorylated Ubiquitin, Major Conformation" 72.82 76 97.33 98.67 6.35e-43 PDB 4XKL "Crystal Structure Of Ndp52 Zf2 In Complex With Mono-ubiquitin" 74.76 80 98.70 100.00 5.05e-45 PDB 4XOF "Observing The Overall Rocking Motion Of A Protein In A Crystal - Orthorhombic Ubiquitin Crystals Without Zinc." 72.82 76 98.67 100.00 8.41e-44 PDB 4XOK "Observing The Overall Rocking Motion Of A Protein In A Crystal." 72.82 76 98.67 100.00 8.41e-44 PDB 4XOL "Observing The Overall Rocking Motion Of A Protein In A Crystal - Cubic Ubiquitin Crystals." 72.82 76 98.67 100.00 8.41e-44 PDB 4XYZ "Crystal Structure Of K33 Linked Di-ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4Y1H "Crystal Structure Of K33 Linked Tri-ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4Z9S "Non-covalent Assembly Of Monoubiquitin That Mimics K11 Poly-ubiquitin" 72.82 76 98.67 100.00 8.41e-44 PDB 4ZFR "Catalytic Domain Of Sst2 F403a Mutant Bound To Ubiquitin" 76.70 81 97.47 98.73 8.08e-46 PDB 4ZFT "Catalytic Domain Of Sst2 F403w Mutant Bound To Ubiquitin" 76.70 81 97.47 98.73 8.08e-46 PDB 5A5B "Structure Of The 26s Proteasome-ubp6 Complex" 72.82 76 98.67 100.00 8.51e-44 PDB 5AF4 "Structure Of Lys33-linked Diub" 72.82 76 97.33 100.00 3.07e-43 PDB 5AF5 "Structure Of Lys33-linked Triub S.g. P 212121" 70.87 73 97.26 100.00 8.96e-42 PDB 5AF6 "Structure Of Lys33-linked Diub Bound To Trabid Nzf1" 72.82 76 97.33 100.00 3.07e-43 PDB 5AIT "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" 72.82 76 98.67 100.00 8.41e-44 PDB 5AIU "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" 72.82 76 98.67 100.00 8.41e-44 PDB 5CAW "Structure Of Pediculus Humanus Parkin Bound To Phospho-ubiquitin" 72.82 76 97.33 98.67 5.28e-43 DBJ BAA03983 "polyubiquitin [Rattus norvegicus]" 72.82 305 98.67 100.00 4.97e-41 DBJ BAA09860 "polyubiquitin [Homo sapiens]" 72.82 611 98.67 100.00 1.49e-39 DBJ BAA11842 "ubiquitin [Cavia porcellus]" 72.82 311 98.67 100.00 5.61e-41 DBJ BAA11843 "ubiquitin extention protein [Cavia porcellus]" 74.76 156 97.40 98.70 2.14e-43 DBJ BAA23486 "polyubiquitin [Homo sapiens]" 72.82 609 98.67 100.00 1.71e-39 EMBL CAA28495 "ubiquitin [Homo sapiens]" 72.82 229 98.67 100.00 7.27e-42 EMBL CAA30815 "unnamed protein product [Cricetulus sp.]" 71.84 223 97.30 98.65 1.90e-40 EMBL CAA35999 "ubiquitin [Mus musculus]" 72.82 305 98.67 100.00 4.97e-41 EMBL CAA37227 "unnamed protein product [Drosophila melanogaster]" 72.82 128 98.67 100.00 9.57e-44 EMBL CAA37599 "unnamed protein product [Manduca sexta]" 74.76 155 97.40 98.70 2.08e-43 GB AAA28154 "polyubiquitin [Caenorhabditis elegans]" 72.82 838 97.33 98.67 3.59e-38 GB AAA28997 "ubiquitin [Drosophila melanogaster]" 72.82 231 98.67 100.00 7.33e-42 GB AAA28998 "ubiquitin-hybrid protein precursor [Drosophila melanogaster]" 74.76 156 97.40 98.70 3.06e-43 GB AAA28999 "ubiquitin, partial [Drosophila melanogaster]" 72.82 76 98.67 100.00 8.41e-44 GB AAA29000 "ubiquitin, partial [Drosophila melanogaster]" 72.82 76 97.33 98.67 5.52e-43 PIR I50437 "polyubiquitin 4 - chicken [Gallus gallus]" 72.82 305 98.67 100.00 4.97e-41 PIR I51568 "polyubiquitin - African clawed frog (fragment)" 75.73 167 97.44 98.72 3.41e-44 PIR I65237 "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat" 72.82 128 98.67 100.00 9.67e-44 PIR S13928 "ubiquitin precursor - chicken [Gallus gallus]" 72.82 229 98.67 100.00 6.96e-42 PIR S21083 "polyubiquitin 5 - Chinese hamster" 72.82 381 98.67 100.00 2.25e-40 PRF 0412265A ubiquitin 72.82 75 97.33 98.67 2.89e-43 PRF 1212243A "ubiquitin S1" 72.82 76 98.67 100.00 8.41e-44 PRF 1212243B "ubiquitin S5" 67.96 77 97.14 98.57 2.40e-39 PRF 1212243C "ubiquitin S3" 72.82 76 98.67 100.00 8.41e-44 PRF 1212243D "ubiquitin S2" 67.96 77 97.14 98.57 3.05e-39 REF NP_001005123 "ubiquitin-60S ribosomal protein L40 [Xenopus (Silurana) tropicalis]" 72.82 128 98.67 100.00 9.67e-44 REF NP_001006688 "ubiquitin C [Xenopus (Silurana) tropicalis]" 72.82 609 98.67 100.00 1.73e-39 REF NP_001009117 "polyubiquitin-B [Pan troglodytes]" 72.82 229 98.67 100.00 7.27e-42 REF NP_001009202 "polyubiquitin-B [Ovis aries]" 72.82 305 97.33 100.00 9.21e-41 REF NP_001009286 "ubiquitin-60S ribosomal protein L40 [Ovis aries]" 72.82 128 98.67 100.00 9.67e-44 SP P0C273 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 72.82 128 98.67 100.00 9.67e-44 SP P0C275 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 72.82 128 98.67 100.00 9.67e-44 SP P0C276 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 72.82 128 98.67 100.00 9.67e-44 SP P0CG47 "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 72.82 229 98.67 100.00 7.27e-42 SP P0CG48 "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor" 72.82 685 98.67 100.00 2.80e-39 TPE CEL68433 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Neospora caninum Liverpool]" 72.82 129 97.33 100.00 3.86e-43 TPE CEL70397 "TPA: Ubiquitin, related [Neospora caninum Liverpool]" 72.82 535 97.33 100.00 3.89e-39 TPE CEL75964 "TPA: ubiquitin / ribosomal protein CEP52 fusion protein, putative [Toxoplasma gondii VEG]" 72.82 129 97.33 100.00 3.86e-43 TPE CEL78064 "TPA: polyubiquitin, putative [Toxoplasma gondii VEG]" 72.82 307 97.33 100.00 1.84e-40 TPG DAA18802 "TPA: polyubiquitin [Bos taurus]" 72.82 305 98.67 100.00 5.03e-41 TPG DAA20663 "TPA: ubiquitin C [Bos taurus]" 72.82 314 97.33 98.67 2.56e-40 TPG DAA20672 "TPA: ubiquitin B-like [Bos taurus]" 72.82 77 97.33 98.67 7.12e-43 TPG DAA24675 "TPA: 40S ribosomal protein S27a [Bos taurus]" 74.76 156 97.40 98.70 2.14e-43 TPG DAA28295 "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]" 72.82 128 98.67 100.00 9.67e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBB+1 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 $UBB+1 'recombinant technology' . Escherichia coli 'BL21 DE3' pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBB+1 1 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaPO4 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBB+1 1 mM '[U-100% 13C]' D2O 100 % 'natural abundance' NaPO4 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBB+1 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaPO4 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2.5 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task 'chemical shift assignment' refinement 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details 'equipped with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM NaPO4, 100mM NaCl,pH7.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBB+1 _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 -7 1 GLY C C 174.079 0.400 1 2 -7 1 GLY CA C 45.209 0.400 1 3 -6 2 SER H H 8.161 0.020 1 4 -6 2 SER HA H 4.366 0.020 1 5 -6 2 SER HB2 H 3.762 0.020 2 6 -6 2 SER HB3 H 3.762 0.020 2 7 -6 2 SER CA C 58.259 0.400 1 8 -6 2 SER CB C 63.925 0.400 1 9 -6 2 SER N N 115.611 0.400 1 10 -5 3 LEU H H 8.246 0.020 1 11 -5 3 LEU HA H 4.279 0.020 1 12 -5 3 LEU HB2 H 1.500 0.020 2 13 -5 3 LEU HB3 H 1.500 0.020 2 14 -5 3 LEU C C 176.944 0.400 1 15 -5 3 LEU CA C 55.205 0.400 1 16 -5 3 LEU CB C 42.057 0.400 1 17 -5 3 LEU N N 124.102 0.400 1 18 -4 4 VAL H H 7.946 0.020 1 19 -4 4 VAL HA H 4.677 0.020 1 20 -4 4 VAL HB H 1.924 0.020 1 21 -4 4 VAL HG1 H 0.821 0.020 2 22 -4 4 VAL HG2 H 0.821 0.020 2 23 -4 4 VAL CA C 59.839 0.400 1 24 -4 4 VAL CB C 32.500 0.400 1 25 -4 4 VAL N N 122.569 0.400 1 26 -3 5 PRO C C 176.685 0.400 1 27 -3 5 PRO CA C 63.083 0.400 1 28 -3 5 PRO CB C 32.050 0.400 1 29 -2 6 ARG H H 8.357 0.020 1 30 -2 6 ARG HA H 4.248 0.020 1 31 -2 6 ARG HB2 H 1.764 0.020 2 32 -2 6 ARG HB3 H 1.651 0.020 2 33 -2 6 ARG C C 176.658 0.400 1 34 -2 6 ARG CA C 55.983 0.400 1 35 -2 6 ARG CB C 30.932 0.400 1 36 -2 6 ARG N N 121.762 0.400 1 37 -1 7 GLY H H 8.458 0.020 1 38 -1 7 GLY HA2 H 3.936 0.020 2 39 -1 7 GLY HA3 H 3.762 0.020 2 40 -1 7 GLY C C 173.564 0.400 1 41 -1 7 GLY CA C 45.023 0.400 1 42 -1 7 GLY N N 110.656 0.400 1 43 0 8 SER H H 7.987 0.020 1 44 0 8 SER HA H 4.447 0.020 1 45 0 8 SER HB2 H 3.745 0.020 2 46 0 8 SER HB3 H 3.745 0.020 2 47 0 8 SER C C 173.561 0.400 1 48 0 8 SER CA C 58.880 0.400 1 49 0 8 SER CB C 64.198 0.400 1 50 0 8 SER N N 115.510 0.400 1 51 1 9 MET H H 9.038 0.020 1 52 1 9 MET HA H 4.609 0.020 1 53 1 9 MET HB2 H 1.839 0.020 2 54 1 9 MET HB3 H 1.748 0.020 2 55 1 9 MET HG2 H 2.263 0.020 2 56 1 9 MET HG3 H 1.937 0.020 2 57 1 9 MET C C 172.744 0.400 1 58 1 9 MET CA C 54.377 0.400 1 59 1 9 MET CB C 35.447 0.400 1 60 1 9 MET CG C 31.631 0.400 1 61 1 9 MET N N 120.481 0.400 1 62 2 10 GLN H H 8.266 0.020 1 63 2 10 GLN HA H 5.269 0.020 1 64 2 10 GLN HB2 H 1.715 0.020 2 65 2 10 GLN HB3 H 1.512 0.020 2 66 2 10 GLN HG2 H 2.113 0.020 2 67 2 10 GLN HG3 H 1.852 0.020 2 68 2 10 GLN C C 175.939 0.400 1 69 2 10 GLN CA C 54.216 0.400 1 70 2 10 GLN CB C 30.503 0.400 1 71 2 10 GLN CG C 34.363 0.400 1 72 2 10 GLN N N 121.010 0.400 1 73 3 11 ILE H H 8.268 0.020 1 74 3 11 ILE HA H 4.104 0.020 1 75 3 11 ILE HB H 1.669 0.020 1 76 3 11 ILE HD1 H 0.504 0.020 1 77 3 11 ILE HG2 H 0.535 0.020 1 78 3 11 ILE C C 172.362 0.400 1 79 3 11 ILE CA C 59.428 0.400 1 80 3 11 ILE CB C 41.820 0.400 1 81 3 11 ILE CD1 C 14.132 0.400 1 82 3 11 ILE CG2 C 17.817 0.400 1 83 3 11 ILE N N 114.557 0.400 1 84 4 12 PHE H H 8.522 0.020 1 85 4 12 PHE HA H 5.542 0.020 1 86 4 12 PHE HB2 H 2.948 0.020 2 87 4 12 PHE HB3 H 2.789 0.020 2 88 4 12 PHE HD1 H 6.979 0.020 1 89 4 12 PHE HD2 H 6.979 0.020 1 90 4 12 PHE C C 175.027 0.400 1 91 4 12 PHE CA C 55.047 0.400 1 92 4 12 PHE CB C 41.172 0.400 1 93 4 12 PHE N N 118.597 0.400 1 94 5 13 VAL H H 9.230 0.020 1 95 5 13 VAL HA H 4.735 0.020 1 96 5 13 VAL HB H 1.808 0.020 1 97 5 13 VAL HG1 H 0.639 0.020 2 98 5 13 VAL HG2 H 0.595 0.020 2 99 5 13 VAL C C 174.746 0.400 1 100 5 13 VAL CA C 60.317 0.400 1 101 5 13 VAL CB C 34.057 0.400 1 102 5 13 VAL CG1 C 20.773 0.400 1 103 5 13 VAL CG2 C 22.416 0.400 1 104 5 13 VAL N N 121.411 0.400 1 105 6 14 LYS H H 8.908 0.020 1 106 6 14 LYS HA H 5.189 0.020 1 107 6 14 LYS HB2 H 1.609 0.020 2 108 6 14 LYS HB3 H 1.322 0.020 2 109 6 14 LYS HD2 H 1.489 0.020 2 110 6 14 LYS HD3 H 1.489 0.020 2 111 6 14 LYS HE2 H 2.798 0.020 2 112 6 14 LYS HE3 H 2.798 0.020 2 113 6 14 LYS HG2 H 1.377 0.020 2 114 6 14 LYS HG3 H 1.182 0.020 2 115 6 14 LYS C C 176.998 0.400 1 116 6 14 LYS CA C 54.581 0.400 1 117 6 14 LYS CB C 34.337 0.400 1 118 6 14 LYS CD C 29.123 0.400 1 119 6 14 LYS CG C 24.949 0.400 1 120 6 14 LYS N N 128.031 0.400 1 121 7 15 THR H H 8.647 0.020 1 122 7 15 THR HA H 4.874 0.020 1 123 7 15 THR HB H 4.697 0.020 1 124 7 15 THR HG2 H 1.086 0.020 1 125 7 15 THR C C 176.826 0.400 1 126 7 15 THR CA C 60.263 0.400 1 127 7 15 THR CB C 70.617 0.400 1 128 7 15 THR CG2 C 21.486 0.400 1 129 7 15 THR N N 115.314 0.400 1 130 8 16 LEU H H 9.072 0.020 1 131 8 16 LEU HA H 4.208 0.020 1 132 8 16 LEU HB2 H 1.843 0.020 2 133 8 16 LEU HB3 H 1.665 0.020 2 134 8 16 LEU HD1 H 0.945 0.020 2 135 8 16 LEU HD2 H 0.875 0.020 2 136 8 16 LEU HG H 1.789 0.020 1 137 8 16 LEU C C 178.698 0.400 1 138 8 16 LEU CA C 57.369 0.400 1 139 8 16 LEU CB C 41.798 0.400 1 140 8 16 LEU CD1 C 25.241 0.400 1 141 8 16 LEU CD2 C 23.640 0.400 1 142 8 16 LEU CG C 27.315 0.400 1 143 8 16 LEU N N 121.416 0.400 1 144 9 17 THR H H 7.563 0.020 1 145 9 17 THR HA H 4.327 0.020 1 146 9 17 THR HB H 4.478 0.020 1 147 9 17 THR HG2 H 1.159 0.020 1 148 9 17 THR C C 175.398 0.400 1 149 9 17 THR CA C 61.433 0.400 1 150 9 17 THR CB C 68.915 0.400 1 151 9 17 THR CG2 C 21.750 0.400 1 152 9 17 THR N N 105.924 0.400 1 153 10 18 GLY H H 7.755 0.020 1 154 10 18 GLY HA2 H 4.251 0.020 2 155 10 18 GLY HA3 H 3.523 0.020 2 156 10 18 GLY C C 173.885 0.400 1 157 10 18 GLY CA C 45.267 0.400 1 158 10 18 GLY N N 109.269 0.400 1 159 11 19 LYS H H 7.213 0.020 1 160 11 19 LYS HA H 4.260 0.020 1 161 11 19 LYS HB2 H 1.710 0.020 2 162 11 19 LYS HB3 H 1.604 0.020 2 163 11 19 LYS HD2 H 1.520 0.020 2 164 11 19 LYS HD3 H 1.520 0.020 2 165 11 19 LYS HE2 H 2.801 0.020 2 166 11 19 LYS HE3 H 2.801 0.020 2 167 11 19 LYS HG2 H 1.319 0.020 2 168 11 19 LYS HG3 H 1.152 0.020 2 169 11 19 LYS C C 175.676 0.400 1 170 11 19 LYS CA C 56.267 0.400 1 171 11 19 LYS CB C 33.237 0.400 1 172 11 19 LYS CD C 29.320 0.400 1 173 11 19 LYS CG C 24.998 0.400 1 174 11 19 LYS N N 122.002 0.400 1 175 12 20 THR H H 8.568 0.020 1 176 12 20 THR HA H 4.953 0.020 1 177 12 20 THR HB H 3.834 0.020 1 178 12 20 THR HG2 H 0.968 0.020 1 179 12 20 THR C C 174.199 0.400 1 180 12 20 THR CA C 62.234 0.400 1 181 12 20 THR CB C 69.726 0.400 1 182 12 20 THR CG2 C 21.839 0.400 1 183 12 20 THR N N 120.704 0.400 1 184 13 21 ILE H H 9.507 0.020 1 185 13 21 ILE HA H 4.389 0.020 1 186 13 21 ILE HB H 1.769 0.020 1 187 13 21 ILE HD1 H 0.628 0.020 1 188 13 21 ILE HG12 H 1.361 0.020 2 189 13 21 ILE HG13 H 0.991 0.020 2 190 13 21 ILE HG2 H 0.781 0.020 1 191 13 21 ILE C C 175.091 0.400 1 192 13 21 ILE CA C 59.973 0.400 1 193 13 21 ILE CB C 40.707 0.400 1 194 13 21 ILE CD1 C 14.385 0.400 1 195 13 21 ILE CG1 C 26.996 0.400 1 196 13 21 ILE CG2 C 17.666 0.400 1 197 13 21 ILE N N 128.200 0.400 1 198 14 22 THR H H 8.698 0.020 1 199 14 22 THR HA H 4.863 0.020 1 200 14 22 THR HB H 3.930 0.020 1 201 14 22 THR HG2 H 1.017 0.020 1 202 14 22 THR C C 173.649 0.400 1 203 14 22 THR CA C 62.127 0.400 1 204 14 22 THR CB C 69.472 0.400 1 205 14 22 THR CG2 C 21.660 0.400 1 206 14 22 THR N N 122.310 0.400 1 207 15 23 LEU H H 8.725 0.020 1 208 15 23 LEU HA H 4.689 0.020 1 209 15 23 LEU HB2 H 1.289 0.020 2 210 15 23 LEU HB3 H 1.119 0.020 2 211 15 23 LEU HD1 H 0.678 0.020 2 212 15 23 LEU HD2 H 0.623 0.020 2 213 15 23 LEU HG H 1.332 0.020 1 214 15 23 LEU C C 174.736 0.400 1 215 15 23 LEU CA C 52.721 0.400 1 216 15 23 LEU CB C 46.597 0.400 1 217 15 23 LEU CD1 C 24.065 0.400 1 218 15 23 LEU CD2 C 27.120 0.400 1 219 15 23 LEU CG C 26.970 0.400 1 220 15 23 LEU N N 125.408 0.400 1 221 16 24 GLU H H 8.076 0.020 1 222 16 24 GLU HA H 4.804 0.020 1 223 16 24 GLU HB2 H 1.802 0.020 2 224 16 24 GLU HB3 H 1.802 0.020 2 225 16 24 GLU HG2 H 2.057 0.020 2 226 16 24 GLU HG3 H 2.057 0.020 2 227 16 24 GLU C C 175.832 0.400 1 228 16 24 GLU CA C 55.417 0.400 1 229 16 24 GLU CB C 30.149 0.400 1 230 16 24 GLU CG C 36.477 0.400 1 231 16 24 GLU N N 121.802 0.400 1 232 17 25 VAL H H 8.799 0.020 1 233 17 25 VAL HA H 4.639 0.020 1 234 17 25 VAL HB H 2.295 0.020 1 235 17 25 VAL HG1 H 0.599 0.020 2 236 17 25 VAL HG2 H 0.359 0.020 2 237 17 25 VAL C C 173.594 0.400 1 238 17 25 VAL CA C 58.602 0.400 1 239 17 25 VAL CB C 36.311 0.400 1 240 17 25 VAL CG1 C 22.075 0.400 1 241 17 25 VAL CG2 C 19.315 0.400 1 242 17 25 VAL N N 116.697 0.400 1 243 18 26 GLU H H 8.498 0.020 1 244 18 26 GLU HA H 4.898 0.020 1 245 18 26 GLU HB2 H 2.021 0.020 2 246 18 26 GLU HB3 H 1.573 0.020 2 247 18 26 GLU HG2 H 2.201 0.020 2 248 18 26 GLU HG3 H 2.121 0.020 2 249 18 26 GLU CA C 53.041 0.400 1 250 18 26 GLU CB C 31.174 0.400 1 251 18 26 GLU CG C 36.054 0.400 1 252 18 26 GLU N N 117.918 0.400 1 253 19 27 PRO HA H 4.041 0.020 1 254 19 27 PRO HB2 H 2.331 0.020 2 255 19 27 PRO HB3 H 1.901 0.020 2 256 19 27 PRO HD2 H 3.665 0.020 2 257 19 27 PRO HD3 H 3.665 0.020 2 258 19 27 PRO HG2 H 2.065 0.020 2 259 19 27 PRO HG3 H 1.984 0.020 2 260 19 27 PRO C C 175.271 0.400 1 261 19 27 PRO CA C 65.375 0.400 1 262 19 27 PRO CB C 31.701 0.400 1 263 19 27 PRO CG C 28.000 0.400 1 264 20 28 SER H H 7.015 0.020 1 265 20 28 SER HA H 4.284 0.020 1 266 20 28 SER HB2 H 4.054 0.020 2 267 20 28 SER HB3 H 3.689 0.020 2 268 20 28 SER C C 174.535 0.400 1 269 20 28 SER CA C 57.398 0.400 1 270 20 28 SER CB C 63.373 0.400 1 271 20 28 SER N N 103.802 0.400 1 272 21 29 ASP H H 7.961 0.020 1 273 21 29 ASP HA H 4.603 0.020 1 274 21 29 ASP HB2 H 2.887 0.020 2 275 21 29 ASP HB3 H 2.420 0.020 2 276 21 29 ASP C C 176.213 0.400 1 277 21 29 ASP CA C 55.869 0.400 1 278 21 29 ASP CB C 40.955 0.400 1 279 21 29 ASP N N 123.743 0.400 1 280 22 30 THR H H 7.781 0.020 1 281 22 30 THR HA H 4.854 0.020 1 282 22 30 THR HB H 4.613 0.020 1 283 22 30 THR HG2 H 1.132 0.020 1 284 22 30 THR C C 176.794 0.400 1 285 22 30 THR CA C 59.417 0.400 1 286 22 30 THR CB C 71.117 0.400 1 287 22 30 THR CG2 C 22.087 0.400 1 288 22 30 THR N N 108.808 0.400 1 289 23 31 ILE H H 8.323 0.020 1 290 23 31 ILE HA H 3.576 0.020 1 291 23 31 ILE HB H 2.482 0.020 1 292 23 31 ILE HD1 H 0.481 0.020 1 293 23 31 ILE HG12 H 1.878 0.020 2 294 23 31 ILE HG13 H 1.222 0.020 2 295 23 31 ILE HG2 H 0.700 0.020 1 296 23 31 ILE C C 178.773 0.400 1 297 23 31 ILE CA C 62.179 0.400 1 298 23 31 ILE CB C 34.343 0.400 1 299 23 31 ILE CD1 C 9.419 0.400 1 300 23 31 ILE CG1 C 27.578 0.400 1 301 23 31 ILE CG2 C 17.931 0.400 1 302 23 31 ILE N N 121.296 0.400 1 303 24 32 GLU H H 9.850 0.020 1 304 24 32 GLU HA H 3.776 0.020 1 305 24 32 GLU HB2 H 1.933 0.020 2 306 24 32 GLU HB3 H 1.933 0.020 2 307 24 32 GLU HG2 H 2.215 0.020 2 308 24 32 GLU HG3 H 2.215 0.020 2 309 24 32 GLU C C 178.815 0.400 1 310 24 32 GLU CA C 60.464 0.400 1 311 24 32 GLU CB C 28.768 0.400 1 312 24 32 GLU CG C 36.050 0.400 1 313 24 32 GLU N N 121.560 0.400 1 314 25 33 ASN H H 7.810 0.020 1 315 25 33 ASN HA H 4.441 0.020 1 316 25 33 ASN HB2 H 3.147 0.020 2 317 25 33 ASN HB3 H 2.755 0.020 2 318 25 33 ASN C C 178.248 0.400 1 319 25 33 ASN CA C 55.779 0.400 1 320 25 33 ASN CB C 38.112 0.400 1 321 25 33 ASN N N 121.035 0.400 1 322 26 34 VAL H H 8.003 0.020 1 323 26 34 VAL HA H 3.302 0.020 1 324 26 34 VAL HB H 2.264 0.020 1 325 26 34 VAL HG1 H 0.891 0.020 2 326 26 34 VAL HG2 H 0.612 0.020 2 327 26 34 VAL C C 177.721 0.400 1 328 26 34 VAL CA C 67.607 0.400 1 329 26 34 VAL CB C 30.710 0.400 1 330 26 34 VAL CG1 C 23.690 0.400 1 331 26 34 VAL CG2 C 21.582 0.400 1 332 26 34 VAL N N 122.195 0.400 1 333 27 35 LYS H H 8.490 0.020 1 334 27 35 LYS HA H 4.503 0.020 1 335 27 35 LYS HB2 H 1.920 0.020 2 336 27 35 LYS HB3 H 1.349 0.020 2 337 27 35 LYS C C 180.386 0.400 1 338 27 35 LYS CA C 59.261 0.400 1 339 27 35 LYS CB C 33.498 0.400 1 340 27 35 LYS N N 119.179 0.400 1 341 28 36 ALA H H 7.875 0.020 1 342 28 36 ALA HA H 4.063 0.020 1 343 28 36 ALA HB H 1.526 0.020 1 344 28 36 ALA C C 180.150 0.400 1 345 28 36 ALA CA C 55.267 0.400 1 346 28 36 ALA CB C 17.592 0.400 1 347 28 36 ALA N N 123.329 0.400 1 348 29 37 LYS H H 7.791 0.020 1 349 29 37 LYS HA H 4.106 0.020 1 350 29 37 LYS HB2 H 2.054 0.020 2 351 29 37 LYS HB3 H 1.860 0.020 2 352 29 37 LYS C C 180.165 0.400 1 353 29 37 LYS CA C 59.735 0.400 1 354 29 37 LYS CB C 33.092 0.400 1 355 29 37 LYS N N 120.359 0.400 1 356 30 38 ILE H H 8.241 0.020 1 357 30 38 ILE HA H 3.406 0.020 1 358 30 38 ILE HB H 2.257 0.020 1 359 30 38 ILE HD1 H 0.800 0.020 1 360 30 38 ILE HG12 H 1.923 0.020 2 361 30 38 ILE HG13 H 0.605 0.020 2 362 30 38 ILE HG2 H 0.608 0.020 1 363 30 38 ILE C C 178.100 0.400 1 364 30 38 ILE CA C 66.188 0.400 1 365 30 38 ILE CB C 36.768 0.400 1 366 30 38 ILE CD1 C 15.100 0.400 1 367 30 38 ILE CG1 C 31.118 0.400 1 368 30 38 ILE CG2 C 17.043 0.400 1 369 30 38 ILE N N 121.410 0.400 1 370 31 39 GLN H H 8.464 0.020 1 371 31 39 GLN HA H 3.727 0.020 1 372 31 39 GLN HB2 H 2.392 0.020 2 373 31 39 GLN HB3 H 1.864 0.020 2 374 31 39 GLN HG2 H 2.180 0.020 2 375 31 39 GLN HG3 H 1.824 0.020 2 376 31 39 GLN C C 178.798 0.400 1 377 31 39 GLN CA C 59.954 0.400 1 378 31 39 GLN CB C 27.560 0.400 1 379 31 39 GLN CG C 33.777 0.400 1 380 31 39 GLN N N 123.529 0.400 1 381 32 40 ASP H H 7.970 0.020 1 382 32 40 ASP HA H 4.239 0.020 1 383 32 40 ASP HB2 H 2.747 0.020 2 384 32 40 ASP HB3 H 2.657 0.020 2 385 32 40 ASP C C 177.257 0.400 1 386 32 40 ASP CA C 57.432 0.400 1 387 32 40 ASP CB C 40.994 0.400 1 388 32 40 ASP N N 119.922 0.400 1 389 33 41 LYS H H 7.423 0.020 1 390 33 41 LYS HA H 4.204 0.020 1 391 33 41 LYS HB2 H 1.916 0.020 2 392 33 41 LYS HB3 H 1.754 0.020 2 393 33 41 LYS HD2 H 1.617 0.020 2 394 33 41 LYS HD3 H 1.617 0.020 2 395 33 41 LYS HE2 H 3.073 0.020 2 396 33 41 LYS HE3 H 3.020 0.020 2 397 33 41 LYS HG2 H 1.511 0.020 2 398 33 41 LYS HG3 H 1.511 0.020 2 399 33 41 LYS C C 177.759 0.400 1 400 33 41 LYS CA C 58.245 0.400 1 401 33 41 LYS CB C 33.916 0.400 1 402 33 41 LYS CD C 28.784 0.400 1 403 33 41 LYS CG C 25.231 0.400 1 404 33 41 LYS N N 115.677 0.400 1 405 34 42 GLU H H 8.647 0.020 1 406 34 42 GLU HA H 4.471 0.020 1 407 34 42 GLU HB2 H 2.168 0.020 2 408 34 42 GLU HB3 H 1.591 0.020 2 409 34 42 GLU HG2 H 2.059 0.020 2 410 34 42 GLU HG3 H 2.059 0.020 2 411 34 42 GLU C C 177.855 0.400 1 412 34 42 GLU CA C 55.257 0.400 1 413 34 42 GLU CB C 33.214 0.400 1 414 34 42 GLU CG C 36.444 0.400 1 415 34 42 GLU N N 114.221 0.400 1 416 35 43 GLY H H 8.400 0.020 1 417 35 43 GLY HA2 H 4.044 0.020 2 418 35 43 GLY HA3 H 3.816 0.020 2 419 35 43 GLY C C 173.853 0.400 1 420 35 43 GLY CA C 45.888 0.400 1 421 35 43 GLY N N 108.974 0.400 1 422 36 44 ILE H H 6.079 0.020 1 423 36 44 ILE HA H 4.295 0.020 1 424 36 44 ILE HB H 1.328 0.020 1 425 36 44 ILE HD1 H 0.691 0.020 1 426 36 44 ILE HG12 H 1.300 0.020 2 427 36 44 ILE HG13 H 0.993 0.020 2 428 36 44 ILE HG2 H 0.833 0.020 1 429 36 44 ILE CA C 57.718 0.400 1 430 36 44 ILE CB C 40.363 0.400 1 431 36 44 ILE CD1 C 13.477 0.400 1 432 36 44 ILE CG1 C 26.890 0.400 1 433 36 44 ILE CG2 C 17.739 0.400 1 434 36 44 ILE N N 120.499 0.400 1 435 38 46 PRO HA H 4.034 0.020 1 436 38 46 PRO HB2 H 2.143 0.020 2 437 38 46 PRO HB3 H 1.944 0.020 2 438 38 46 PRO HD2 H 3.658 0.020 2 439 38 46 PRO HD3 H 3.658 0.020 2 440 38 46 PRO HG2 H 2.082 0.020 2 441 38 46 PRO HG3 H 1.546 0.020 2 442 38 46 PRO C C 178.205 0.400 1 443 38 46 PRO CA C 66.064 0.400 1 444 38 46 PRO CB C 32.650 0.400 1 445 38 46 PRO CG C 27.546 0.400 1 446 39 47 ASP H H 8.469 0.020 1 447 39 47 ASP HA H 4.306 0.020 1 448 39 47 ASP HB2 H 2.657 0.020 2 449 39 47 ASP HB3 H 2.580 0.020 2 450 39 47 ASP C C 176.948 0.400 1 451 39 47 ASP CA C 55.661 0.400 1 452 39 47 ASP CB C 39.694 0.400 1 453 39 47 ASP N N 113.696 0.400 1 454 40 48 GLN H H 7.718 0.020 1 455 40 48 GLN HA H 4.339 0.020 1 456 40 48 GLN HB2 H 2.323 0.020 2 457 40 48 GLN HB3 H 1.716 0.020 2 458 40 48 GLN HG2 H 2.292 0.020 2 459 40 48 GLN HG3 H 2.292 0.020 2 460 40 48 GLN C C 175.286 0.400 1 461 40 48 GLN CA C 55.477 0.400 1 462 40 48 GLN CB C 29.899 0.400 1 463 40 48 GLN CG C 34.282 0.400 1 464 40 48 GLN N N 116.902 0.400 1 465 41 49 GLN H H 7.405 0.020 1 466 41 49 GLN HA H 4.108 0.020 1 467 41 49 GLN HB2 H 1.834 0.020 2 468 41 49 GLN HB3 H 1.834 0.020 2 469 41 49 GLN HG2 H 2.217 0.020 2 470 41 49 GLN HG3 H 2.217 0.020 2 471 41 49 GLN C C 175.981 0.400 1 472 41 49 GLN CA C 56.633 0.400 1 473 41 49 GLN CB C 31.323 0.400 1 474 41 49 GLN CG C 33.984 0.400 1 475 41 49 GLN N N 117.966 0.400 1 476 42 50 ARG H H 8.405 0.020 1 477 42 50 ARG HA H 4.382 0.020 1 478 42 50 ARG HB2 H 1.619 0.020 2 479 42 50 ARG HB3 H 1.542 0.020 2 480 42 50 ARG HD2 H 3.012 0.020 2 481 42 50 ARG HD3 H 3.012 0.020 2 482 42 50 ARG HG2 H 1.400 0.020 2 483 42 50 ARG HG3 H 1.308 0.020 2 484 42 50 ARG C C 173.835 0.400 1 485 42 50 ARG CA C 55.051 0.400 1 486 42 50 ARG CB C 31.604 0.400 1 487 42 50 ARG CG C 26.960 0.400 1 488 42 50 ARG N N 123.052 0.400 1 489 43 51 LEU H H 8.706 0.020 1 490 43 51 LEU HA H 5.300 0.020 1 491 43 51 LEU HB2 H 1.458 0.020 2 492 43 51 LEU HB3 H 1.067 0.020 2 493 43 51 LEU HD1 H 0.712 0.020 2 494 43 51 LEU HD2 H 0.675 0.020 2 495 43 51 LEU HG H 1.364 0.020 1 496 43 51 LEU C C 175.136 0.400 1 497 43 51 LEU CA C 52.945 0.400 1 498 43 51 LEU CB C 45.703 0.400 1 499 43 51 LEU CD1 C 24.226 0.400 1 500 43 51 LEU CD2 C 26.591 0.400 1 501 43 51 LEU CG C 27.150 0.400 1 502 43 51 LEU N N 124.368 0.400 1 503 44 52 ILE H H 9.060 0.020 1 504 44 52 ILE HA H 4.840 0.020 1 505 44 52 ILE HB H 1.653 0.020 1 506 44 52 ILE HD1 H 0.581 0.020 1 507 44 52 ILE HG12 H 1.251 0.020 2 508 44 52 ILE HG13 H 0.954 0.020 2 509 44 52 ILE HG2 H 0.586 0.020 1 510 44 52 ILE C C 175.623 0.400 1 511 44 52 ILE CA C 58.948 0.400 1 512 44 52 ILE CB C 41.206 0.400 1 513 44 52 ILE CD1 C 12.752 0.400 1 514 44 52 ILE CG1 C 27.831 0.400 1 515 44 52 ILE CG2 C 17.550 0.400 1 516 44 52 ILE N N 122.533 0.400 1 517 45 53 PHE H H 8.734 0.020 1 518 45 53 PHE HA H 5.100 0.020 1 519 45 53 PHE HB2 H 2.928 0.020 2 520 45 53 PHE HB3 H 2.709 0.020 2 521 45 53 PHE HD1 H 7.263 0.020 1 522 45 53 PHE HD2 H 7.263 0.020 1 523 45 53 PHE HE1 H 7.408 0.020 1 524 45 53 PHE HE2 H 7.408 0.020 1 525 45 53 PHE C C 174.582 0.400 1 526 45 53 PHE CA C 56.322 0.400 1 527 45 53 PHE CB C 43.538 0.400 1 528 45 53 PHE N N 124.841 0.400 1 529 46 54 ALA H H 8.943 0.020 1 530 46 54 ALA HA H 3.609 0.020 1 531 46 54 ALA HB H 0.778 0.020 1 532 46 54 ALA C C 177.254 0.400 1 533 46 54 ALA CA C 52.468 0.400 1 534 46 54 ALA CB C 16.348 0.400 1 535 46 54 ALA N N 133.106 0.400 1 536 47 55 GLY H H 8.068 0.020 1 537 47 55 GLY HA2 H 3.997 0.020 2 538 47 55 GLY HA3 H 3.342 0.020 2 539 47 55 GLY C C 173.596 0.400 1 540 47 55 GLY CA C 45.241 0.400 1 541 47 55 GLY N N 102.540 0.400 1 542 48 56 LYS H H 7.859 0.020 1 543 48 56 LYS HA H 4.514 0.020 1 544 48 56 LYS HB2 H 1.794 0.020 2 545 48 56 LYS HB3 H 1.794 0.020 2 546 48 56 LYS HE2 H 3.065 0.020 2 547 48 56 LYS HE3 H 3.065 0.020 2 548 48 56 LYS HG2 H 1.412 0.020 2 549 48 56 LYS HG3 H 1.412 0.020 2 550 48 56 LYS C C 174.568 0.400 1 551 48 56 LYS CA C 54.512 0.400 1 552 48 56 LYS CB C 34.352 0.400 1 553 48 56 LYS CG C 24.361 0.400 1 554 48 56 LYS N N 121.847 0.400 1 555 49 57 GLN H H 8.599 0.020 1 556 49 57 GLN HA H 4.409 0.020 1 557 49 57 GLN HB2 H 1.896 0.020 2 558 49 57 GLN HB3 H 1.896 0.020 2 559 49 57 GLN HG2 H 2.150 0.020 2 560 49 57 GLN HG3 H 2.150 0.020 2 561 49 57 GLN C C 175.576 0.400 1 562 49 57 GLN CA C 55.891 0.400 1 563 49 57 GLN CB C 28.823 0.400 1 564 49 57 GLN CG C 34.551 0.400 1 565 49 57 GLN N N 123.160 0.400 1 566 50 58 LEU H H 8.482 0.020 1 567 50 58 LEU HA H 4.056 0.020 1 568 50 58 LEU HB2 H 1.410 0.020 2 569 50 58 LEU HB3 H 0.974 0.020 2 570 50 58 LEU HD1 H 0.432 0.020 2 571 50 58 LEU HD2 H -0.250 0.020 2 572 50 58 LEU HG H 1.441 0.020 1 573 50 58 LEU C C 176.540 0.400 1 574 50 58 LEU CA C 54.083 0.400 1 575 50 58 LEU CB C 41.529 0.400 1 576 50 58 LEU CD1 C 25.956 0.400 1 577 50 58 LEU CD2 C 19.444 0.400 1 578 50 58 LEU CG C 25.770 0.400 1 579 50 58 LEU N N 125.902 0.400 1 580 51 59 GLU H H 8.398 0.020 1 581 51 59 GLU HA H 4.402 0.020 1 582 51 59 GLU HB2 H 2.136 0.020 2 583 51 59 GLU HB3 H 1.908 0.020 2 584 51 59 GLU HG2 H 2.325 0.020 2 585 51 59 GLU HG3 H 2.325 0.020 2 586 51 59 GLU C C 175.667 0.400 1 587 51 59 GLU CA C 55.897 0.400 1 588 51 59 GLU CB C 31.854 0.400 1 589 51 59 GLU CG C 36.397 0.400 1 590 51 59 GLU N N 123.124 0.400 1 591 52 60 ASP H H 8.114 0.020 1 592 52 60 ASP HA H 4.269 0.020 1 593 52 60 ASP HB2 H 2.525 0.020 2 594 52 60 ASP HB3 H 2.426 0.020 2 595 52 60 ASP CA C 57.052 0.400 1 596 52 60 ASP CB C 40.756 0.400 1 597 52 60 ASP N N 120.336 0.400 1 598 53 61 GLY HA2 H 3.995 0.020 2 599 53 61 GLY HA3 H 3.834 0.020 2 600 53 61 GLY C C 174.538 0.400 1 601 53 61 GLY CA C 45.041 0.400 1 602 54 62 ARG H H 7.354 0.020 1 603 54 62 ARG HA H 4.638 0.020 1 604 54 62 ARG HB2 H 2.023 0.020 2 605 54 62 ARG HB3 H 1.499 0.020 2 606 54 62 ARG HD2 H 2.940 0.020 2 607 54 62 ARG HD3 H 2.940 0.020 2 608 54 62 ARG HG2 H 1.622 0.020 2 609 54 62 ARG HG3 H 1.507 0.020 2 610 54 62 ARG C C 175.466 0.400 1 611 54 62 ARG CA C 54.423 0.400 1 612 54 62 ARG CB C 32.588 0.400 1 613 54 62 ARG CG C 27.545 0.400 1 614 54 62 ARG N N 119.303 0.400 1 615 55 63 THR H H 8.457 0.020 1 616 55 63 THR HA H 5.060 0.020 1 617 55 63 THR HB H 4.460 0.020 1 618 55 63 THR HG2 H 1.073 0.020 1 619 55 63 THR C C 176.212 0.400 1 620 55 63 THR CA C 59.740 0.400 1 621 55 63 THR CB C 71.952 0.400 1 622 55 63 THR CG2 C 22.261 0.400 1 623 55 63 THR N N 109.145 0.400 1 624 56 64 LEU H H 8.189 0.020 1 625 56 64 LEU HA H 3.915 0.020 1 626 56 64 LEU HB2 H 1.973 0.020 2 627 56 64 LEU HB3 H 1.105 0.020 2 628 56 64 LEU HD1 H 0.670 0.020 2 629 56 64 LEU HD2 H 0.532 0.020 2 630 56 64 LEU HG H 1.699 0.020 1 631 56 64 LEU C C 180.556 0.400 1 632 56 64 LEU CA C 58.433 0.400 1 633 56 64 LEU CB C 40.236 0.400 1 634 56 64 LEU CD1 C 26.599 0.400 1 635 56 64 LEU CD2 C 23.005 0.400 1 636 56 64 LEU CG C 26.513 0.400 1 637 56 64 LEU N N 118.138 0.400 1 638 57 65 SER H H 8.371 0.020 1 639 57 65 SER HA H 4.146 0.020 1 640 57 65 SER HB2 H 3.751 0.020 2 641 57 65 SER HB3 H 3.664 0.020 2 642 57 65 SER C C 178.558 0.400 1 643 57 65 SER CA C 60.910 0.400 1 644 57 65 SER CB C 62.505 0.400 1 645 57 65 SER N N 112.238 0.400 1 646 58 66 GLU H H 7.775 0.020 1 647 58 66 GLU HA H 3.888 0.020 1 648 58 66 GLU HB2 H 2.059 0.020 2 649 58 66 GLU HB3 H 1.683 0.020 2 650 58 66 GLU HG2 H 2.199 0.020 2 651 58 66 GLU HG3 H 2.059 0.020 2 652 58 66 GLU C C 177.690 0.400 1 653 58 66 GLU CA C 59.178 0.400 1 654 58 66 GLU CB C 29.413 0.400 1 655 58 66 GLU CG C 38.039 0.400 1 656 58 66 GLU N N 123.581 0.400 1 657 59 67 TYR H H 7.294 0.020 1 658 59 67 TYR HA H 4.594 0.020 1 659 59 67 TYR HB2 H 3.342 0.020 2 660 59 67 TYR HB3 H 2.483 0.020 2 661 59 67 TYR HD1 H 7.097 0.020 1 662 59 67 TYR HD2 H 7.097 0.020 1 663 59 67 TYR HE1 H 6.798 0.020 1 664 59 67 TYR HE2 H 6.798 0.020 1 665 59 67 TYR C C 174.683 0.400 1 666 59 67 TYR CA C 58.399 0.400 1 667 59 67 TYR CB C 39.769 0.400 1 668 59 67 TYR N N 116.448 0.400 1 669 60 68 ASN H H 8.044 0.020 1 670 60 68 ASN HA H 4.244 0.020 1 671 60 68 ASN HB2 H 3.210 0.020 2 672 60 68 ASN HB3 H 2.732 0.020 2 673 60 68 ASN C C 174.109 0.400 1 674 60 68 ASN CA C 54.110 0.400 1 675 60 68 ASN CB C 37.180 0.400 1 676 60 68 ASN N N 115.583 0.400 1 677 61 69 ILE H H 7.200 0.020 1 678 61 69 ILE HA H 3.279 0.020 1 679 61 69 ILE HB H 1.296 0.020 1 680 61 69 ILE HD1 H 0.315 0.020 1 681 61 69 ILE HG12 H 0.982 0.020 2 682 61 69 ILE HG13 H -0.481 0.020 2 683 61 69 ILE HG2 H 0.393 0.020 1 684 61 69 ILE C C 174.251 0.400 1 685 61 69 ILE CA C 59.802 0.400 1 686 61 69 ILE CB C 36.628 0.400 1 687 61 69 ILE CD1 C 14.302 0.400 1 688 61 69 ILE CG1 C 28.112 0.400 1 689 61 69 ILE CG2 C 17.322 0.400 1 690 61 69 ILE N N 119.110 0.400 1 691 62 70 GLN H H 7.571 0.020 1 692 62 70 GLN HA H 4.411 0.020 1 693 62 70 GLN HB2 H 2.156 0.020 2 694 62 70 GLN HB3 H 1.777 0.020 2 695 62 70 GLN HG2 H 2.235 0.020 2 696 62 70 GLN HG3 H 2.235 0.020 2 697 62 70 GLN C C 175.492 0.400 1 698 62 70 GLN CA C 53.469 0.400 1 699 62 70 GLN CB C 31.460 0.400 1 700 62 70 GLN CG C 36.424 0.400 1 701 62 70 GLN N N 124.832 0.400 1 702 63 71 LYS H H 8.367 0.020 1 703 63 71 LYS HA H 3.867 0.020 1 704 63 71 LYS HB2 H 1.945 0.020 2 705 63 71 LYS HB3 H 1.794 0.020 2 706 63 71 LYS HD2 H 1.661 0.020 2 707 63 71 LYS HD3 H 1.661 0.020 2 708 63 71 LYS HE2 H 2.940 0.020 2 709 63 71 LYS HE3 H 2.940 0.020 2 710 63 71 LYS HG2 H 1.423 0.020 2 711 63 71 LYS HG3 H 1.423 0.020 2 712 63 71 LYS C C 175.976 0.400 1 713 63 71 LYS CA C 57.958 0.400 1 714 63 71 LYS CB C 32.487 0.400 1 715 63 71 LYS CD C 29.658 0.400 1 716 63 71 LYS CG C 24.277 0.400 1 717 63 71 LYS N N 120.211 0.400 1 718 64 72 GLU H H 9.231 0.020 1 719 64 72 GLU HA H 3.241 0.020 1 720 64 72 GLU HB2 H 2.443 0.020 2 721 64 72 GLU HB3 H 2.309 0.020 2 722 64 72 GLU HG2 H 2.141 0.020 2 723 64 72 GLU HG3 H 2.141 0.020 2 724 64 72 GLU C C 175.160 0.400 1 725 64 72 GLU CA C 58.299 0.400 1 726 64 72 GLU CB C 25.987 0.400 1 727 64 72 GLU CG C 37.366 0.400 1 728 64 72 GLU N N 115.107 0.400 1 729 65 73 SER H H 7.691 0.020 1 730 65 73 SER HA H 4.521 0.020 1 731 65 73 SER HB2 H 3.814 0.020 2 732 65 73 SER HB3 H 3.577 0.020 2 733 65 73 SER C C 171.911 0.400 1 734 65 73 SER CA C 61.081 0.400 1 735 65 73 SER CB C 64.760 0.400 1 736 65 73 SER N N 115.287 0.400 1 737 66 74 THR H H 8.623 0.020 1 738 66 74 THR HA H 5.201 0.020 1 739 66 74 THR HB H 3.965 0.020 1 740 66 74 THR HG2 H 0.840 0.020 1 741 66 74 THR C C 173.564 0.400 1 742 66 74 THR CA C 62.393 0.400 1 743 66 74 THR CB C 70.175 0.400 1 744 66 74 THR CG2 C 21.406 0.400 1 745 66 74 THR N N 117.465 0.400 1 746 67 75 LEU H H 9.346 0.020 1 747 67 75 LEU HA H 4.989 0.020 1 748 67 75 LEU HB2 H 1.531 0.020 2 749 67 75 LEU HB3 H 1.531 0.020 2 750 67 75 LEU HD1 H 0.597 0.020 2 751 67 75 LEU HD2 H 0.559 0.020 2 752 67 75 LEU HG H 1.671 0.020 1 753 67 75 LEU C C 175.034 0.400 1 754 67 75 LEU CA C 53.758 0.400 1 755 67 75 LEU CB C 44.443 0.400 1 756 67 75 LEU CD1 C 24.908 0.400 1 757 67 75 LEU CD2 C 25.255 0.400 1 758 67 75 LEU CG C 29.635 0.400 1 759 67 75 LEU N N 127.963 0.400 1 760 68 76 HIS H H 9.137 0.020 1 761 68 76 HIS HA H 5.044 0.020 1 762 68 76 HIS HB2 H 2.946 0.020 2 763 68 76 HIS HB3 H 2.761 0.020 2 764 68 76 HIS C C 173.873 0.400 1 765 68 76 HIS CA C 56.195 0.400 1 766 68 76 HIS CB C 32.550 0.400 1 767 68 76 HIS N N 119.622 0.400 1 768 69 77 LEU H H 8.237 0.020 1 769 69 77 LEU HA H 5.085 0.020 1 770 69 77 LEU HB2 H 1.500 0.020 2 771 69 77 LEU HB3 H 1.018 0.020 2 772 69 77 LEU HD1 H 0.765 0.020 2 773 69 77 LEU HD2 H 0.643 0.020 2 774 69 77 LEU HG H 1.234 0.020 1 775 69 77 LEU C C 175.283 0.400 1 776 69 77 LEU CA C 53.566 0.400 1 777 69 77 LEU CB C 44.127 0.400 1 778 69 77 LEU CD1 C 24.047 0.400 1 779 69 77 LEU CD2 C 26.068 0.400 1 780 69 77 LEU CG C 27.520 0.400 1 781 69 77 LEU N N 123.822 0.400 1 782 70 78 VAL H H 9.106 0.020 1 783 70 78 VAL HA H 4.260 0.020 1 784 70 78 VAL HB H 1.910 0.020 1 785 70 78 VAL HG1 H 0.832 0.020 2 786 70 78 VAL HG2 H 0.748 0.020 2 787 70 78 VAL C C 173.999 0.400 1 788 70 78 VAL CA C 60.412 0.400 1 789 70 78 VAL CB C 34.672 0.400 1 790 70 78 VAL CG1 C 21.111 0.400 1 791 70 78 VAL CG2 C 20.693 0.400 1 792 70 78 VAL N N 127.113 0.400 1 793 71 79 LEU H H 8.051 0.020 1 794 71 79 LEU HA H 4.945 0.020 1 795 71 79 LEU HB2 H 1.580 0.020 2 796 71 79 LEU HB3 H 1.421 0.020 2 797 71 79 LEU HD1 H 0.864 0.020 2 798 71 79 LEU HD2 H 0.756 0.020 2 799 71 79 LEU HG H 1.564 0.020 1 800 71 79 LEU C C 177.760 0.400 1 801 71 79 LEU CA C 53.765 0.400 1 802 71 79 LEU CB C 42.687 0.400 1 803 71 79 LEU CD1 C 25.003 0.400 1 804 71 79 LEU CD2 C 23.904 0.400 1 805 71 79 LEU CG C 27.528 0.400 1 806 71 79 LEU N N 123.448 0.400 1 807 72 80 ARG H H 8.535 0.020 1 808 72 80 ARG HA H 4.169 0.020 1 809 72 80 ARG HB2 H 1.665 0.020 2 810 72 80 ARG HB3 H 1.442 0.020 2 811 72 80 ARG HD2 H 3.021 0.020 2 812 72 80 ARG HD3 H 3.021 0.020 2 813 72 80 ARG HG2 H 1.388 0.020 2 814 72 80 ARG HG3 H 1.388 0.020 2 815 72 80 ARG C C 174.394 0.400 1 816 72 80 ARG CA C 55.756 0.400 1 817 72 80 ARG CB C 31.121 0.400 1 818 72 80 ARG CG C 27.283 0.400 1 819 72 80 ARG N N 123.523 0.400 1 820 73 81 LEU H H 8.253 0.020 1 821 73 81 LEU HA H 4.269 0.020 1 822 73 81 LEU HB2 H 1.503 0.020 2 823 73 81 LEU HB3 H 1.503 0.020 2 824 73 81 LEU HD1 H 0.808 0.020 2 825 73 81 LEU HD2 H 0.765 0.020 2 826 73 81 LEU HG H 1.525 0.020 1 827 73 81 LEU CA C 54.970 0.400 1 828 73 81 LEU CB C 42.225 0.400 1 829 73 81 LEU CD1 C 24.800 0.400 1 830 73 81 LEU CD2 C 23.000 0.400 1 831 73 81 LEU CG C 26.908 0.400 1 832 73 81 LEU N N 124.098 0.400 1 833 74 82 ARG H H 8.309 0.020 1 834 74 82 ARG HA H 4.197 0.020 1 835 74 82 ARG HB2 H 1.674 0.020 2 836 74 82 ARG HB3 H 1.674 0.020 2 837 74 82 ARG HD2 H 3.075 0.020 2 838 74 82 ARG HD3 H 3.075 0.020 2 839 74 82 ARG HG2 H 1.525 0.020 2 840 74 82 ARG HG3 H 1.525 0.020 2 841 74 82 ARG C C 176.607 0.400 1 842 74 82 ARG CA C 56.306 0.400 1 843 74 82 ARG CB C 30.674 0.400 1 844 74 82 ARG CG C 26.858 0.400 1 845 74 82 ARG N N 121.496 0.400 1 846 75 83 GLY H H 8.406 0.020 1 847 75 83 GLY HA2 H 3.754 0.020 2 848 75 83 GLY HA3 H 3.754 0.020 2 849 75 83 GLY C C 173.859 0.400 1 850 75 83 GLY CA C 45.115 0.400 1 851 75 83 GLY N N 110.244 0.400 1 852 76 84 TYR H H 7.954 0.020 1 853 76 84 TYR HA H 4.400 0.020 1 854 76 84 TYR HB2 H 2.967 0.020 2 855 76 84 TYR HB3 H 2.852 0.020 2 856 76 84 TYR HD1 H 7.008 0.020 1 857 76 84 TYR HD2 H 7.008 0.020 1 858 76 84 TYR C C 175.675 0.400 1 859 76 84 TYR CA C 58.125 0.400 1 860 76 84 TYR CB C 38.845 0.400 1 861 76 84 TYR N N 119.910 0.400 1 862 77 85 ALA H H 8.155 0.020 1 863 77 85 ALA HA H 4.148 0.020 1 864 77 85 ALA HB H 1.237 0.020 1 865 77 85 ALA C C 176.971 0.400 1 866 77 85 ALA CA C 52.590 0.400 1 867 77 85 ALA CB C 19.152 0.400 1 868 77 85 ALA N N 124.771 0.400 1 869 78 86 ASP H H 8.024 0.020 1 870 78 86 ASP HA H 4.454 0.020 1 871 78 86 ASP HB2 H 2.639 0.020 2 872 78 86 ASP HB3 H 2.493 0.020 2 873 78 86 ASP C C 176.075 0.400 1 874 78 86 ASP CA C 54.145 0.400 1 875 78 86 ASP CB C 41.060 0.400 1 876 78 86 ASP N N 118.937 0.400 1 877 79 87 LEU H H 8.011 0.020 1 878 79 87 LEU HA H 4.215 0.020 1 879 79 87 LEU HB2 H 1.548 0.020 2 880 79 87 LEU HB3 H 1.490 0.020 2 881 79 87 LEU HD1 H 0.813 0.020 2 882 79 87 LEU HD2 H 0.758 0.020 2 883 79 87 LEU HG H 1.521 0.020 1 884 79 87 LEU C C 177.238 0.400 1 885 79 87 LEU CA C 55.304 0.400 1 886 79 87 LEU CB C 41.981 0.400 1 887 79 87 LEU CD1 C 24.892 0.400 1 888 79 87 LEU CD2 C 23.308 0.400 1 889 79 87 LEU CG C 27.108 0.400 1 890 79 87 LEU N N 122.413 0.400 1 891 80 88 ARG H H 8.168 0.020 1 892 80 88 ARG HA H 4.211 0.020 1 893 80 88 ARG HB2 H 1.768 0.020 2 894 80 88 ARG HB3 H 1.686 0.020 2 895 80 88 ARG HG2 H 1.528 0.020 2 896 80 88 ARG HG3 H 1.528 0.020 2 897 80 88 ARG CA C 56.274 0.400 1 898 80 88 ARG CB C 30.630 0.400 1 899 80 88 ARG N N 121.211 0.400 1 900 83 91 PRO HA H 4.288 0.020 1 901 83 91 PRO HB2 H 2.176 0.020 2 902 83 91 PRO HB3 H 1.884 0.020 2 903 83 91 PRO HD2 H 3.735 0.020 2 904 83 91 PRO HD3 H 3.735 0.020 2 905 83 91 PRO HG2 H 1.891 0.020 2 906 83 91 PRO HG3 H 1.891 0.020 2 907 83 91 PRO C C 176.983 0.400 1 908 83 91 PRO CA C 63.805 0.400 1 909 83 91 PRO CB C 32.096 0.400 1 910 83 91 PRO CG C 27.123 0.400 1 911 84 92 ASP H H 8.283 0.020 1 912 84 92 ASP HA H 4.537 0.020 1 913 84 92 ASP HB2 H 2.649 0.020 2 914 84 92 ASP HB3 H 2.520 0.020 2 915 84 92 ASP C C 176.264 0.400 1 916 84 92 ASP CA C 54.588 0.400 1 917 84 92 ASP CB C 40.979 0.400 1 918 84 92 ASP N N 118.731 0.400 1 919 85 93 ARG H H 7.775 0.020 1 920 85 93 ARG HA H 4.186 0.020 1 921 85 93 ARG HB2 H 1.698 0.020 2 922 85 93 ARG HB3 H 1.698 0.020 2 923 85 93 ARG HD2 H 3.086 0.020 2 924 85 93 ARG HD3 H 3.086 0.020 2 925 85 93 ARG HG2 H 1.508 0.020 2 926 85 93 ARG HG3 H 1.508 0.020 2 927 85 93 ARG C C 175.566 0.400 1 928 85 93 ARG CA C 56.257 0.400 1 929 85 93 ARG CB C 30.671 0.400 1 930 85 93 ARG CG C 27.010 0.400 1 931 85 93 ARG N N 120.683 0.400 1 932 86 94 GLN H H 8.279 0.020 1 933 86 94 GLN HA H 4.208 0.020 1 934 86 94 GLN HB2 H 1.979 0.020 2 935 86 94 GLN HB3 H 1.850 0.020 2 936 86 94 GLN HG2 H 2.238 0.020 2 937 86 94 GLN HG3 H 2.238 0.020 2 938 86 94 GLN C C 176.196 0.400 1 939 86 94 GLN CA C 55.798 0.400 1 940 86 94 GLN CB C 29.327 0.400 1 941 86 94 GLN CG C 33.659 0.400 1 942 86 94 GLN N N 121.007 0.400 1 943 87 95 ASP H H 8.273 0.020 1 944 87 95 ASP HA H 4.452 0.020 1 945 87 95 ASP HB2 H 2.495 0.020 2 946 87 95 ASP HB3 H 2.495 0.020 2 947 87 95 ASP C C 175.661 0.400 1 948 87 95 ASP CA C 54.294 0.400 1 949 87 95 ASP CB C 41.003 0.400 1 950 87 95 ASP N N 121.010 0.400 1 951 88 96 HIS H H 8.088 0.020 1 952 88 96 HIS HA H 4.469 0.020 1 953 88 96 HIS HB2 H 2.905 0.020 2 954 88 96 HIS HB3 H 2.905 0.020 2 955 88 96 HIS C C 176.150 0.400 1 956 88 96 HIS CA C 55.935 0.400 1 957 88 96 HIS CB C 30.508 0.400 1 958 88 96 HIS N N 119.320 0.400 1 959 89 97 HIS H H 8.237 0.020 1 960 89 97 HIS HA H 4.468 0.020 1 961 89 97 HIS HB2 H 2.905 0.020 2 962 89 97 HIS HB3 H 2.905 0.020 2 963 89 97 HIS CA C 56.244 0.400 1 964 89 97 HIS CB C 30.418 0.400 1 965 89 97 HIS N N 121.345 0.400 1 966 90 98 PRO HA H 4.336 0.020 1 967 90 98 PRO HB2 H 2.183 0.020 2 968 90 98 PRO HB3 H 1.877 0.020 2 969 90 98 PRO HD2 H 3.539 0.020 2 970 90 98 PRO HD3 H 3.364 0.020 2 971 90 98 PRO HG2 H 1.887 0.020 2 972 90 98 PRO HG3 H 1.887 0.020 2 973 90 98 PRO C C 177.544 0.400 1 974 90 98 PRO CA C 63.699 0.400 1 975 90 98 PRO CB C 31.947 0.400 1 976 90 98 PRO CG C 27.254 0.400 1 977 91 99 GLY H H 8.660 0.020 1 978 91 99 GLY HA2 H 3.920 0.020 2 979 91 99 GLY HA3 H 3.920 0.020 2 980 91 99 GLY C C 174.423 0.400 1 981 91 99 GLY CA C 45.223 0.400 1 982 91 99 GLY N N 110.024 0.400 1 983 92 100 SER H H 8.172 0.020 1 984 92 100 SER HA H 4.359 0.020 1 985 92 100 SER HB2 H 3.801 0.020 2 986 92 100 SER HB3 H 3.801 0.020 2 987 92 100 SER C C 175.110 0.400 1 988 92 100 SER CA C 58.464 0.400 1 989 92 100 SER CB C 64.005 0.400 1 990 92 100 SER N N 115.598 0.400 1 991 93 101 GLY H H 8.421 0.020 1 992 93 101 GLY HA2 H 3.886 0.020 2 993 93 101 GLY HA3 H 3.886 0.020 2 994 93 101 GLY C C 173.626 0.400 1 995 93 101 GLY CA C 45.217 0.400 1 996 93 101 GLY N N 110.997 0.400 1 997 94 102 ALA H H 8.034 0.020 1 998 94 102 ALA HA H 4.253 0.020 1 999 94 102 ALA HB H 1.292 0.020 1 1000 94 102 ALA C C 176.794 0.400 1 1001 94 102 ALA CA C 52.450 0.400 1 1002 94 102 ALA CB C 19.230 0.400 1 1003 94 102 ALA N N 124.087 0.400 1 1004 95 103 GLN H H 7.886 0.020 1 1005 95 103 GLN CA C 57.424 0.400 1 1006 95 103 GLN CB C 30.413 0.400 1 1007 95 103 GLN N N 124.638 0.400 1 stop_ save_