data_16880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of UBM2 of murine Polymerase iota in Complex with Ubiquitin ; _BMRB_accession_number 16880 _BMRB_flat_file_name bmr16880.str _Entry_type original _Submission_date 2010-04-19 _Accession_date 2010-04-19 _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 Burschowsky Daniel . . 2 Rudolf Fabian . . 3 Rabut Gwenael . . 4 Herrmann Torsten . . 5 Peter Matthias . . 6 Wider Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 432 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-18 update BMRB 'update entry citation' 2010-10-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16885 'Solution Structure of UBM1' stop_ save_ ############################# # Citation for this entry # ############################# save_UBM_Paper _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Analysis of the Conserved Ubiquitin-binding Motifs (UBMs) of the Translesion Polymerase iota in Complex with Ubiquitin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20929865 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burschowsky Daniel . . 2 Rudolf Fabian . . 3 Rabut Gwenael . . 4 Herrmann Torsten . . 5 Matthias Peter . . 6 Wider Gerhard . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1364 _Page_last 1373 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBM2 in Complex with Ubiquitin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA polymerase iota UBM2' $DNA_polymerase_iota_UBM2 Ubiquitin $Ubiquitin 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_DNA_polymerase_iota_UBM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DNA_polymerase_iota_UBM2 _Molecular_mass 4205.713 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; GSPEFDSAEEKLPFPPDIDP QVFYELPEEVQKELMAEWER AGAARPSAHR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 668 GLY 2 669 SER 3 670 PRO 4 671 GLU 5 672 PHE 6 673 ASP 7 674 SER 8 675 ALA 9 676 GLU 10 677 GLU 11 678 LYS 12 679 LEU 13 680 PRO 14 681 PHE 15 682 PRO 16 683 PRO 17 684 ASP 18 685 ILE 19 686 ASP 20 687 PRO 21 688 GLN 22 689 VAL 23 690 PHE 24 691 TYR 25 692 GLU 26 693 LEU 27 694 PRO 28 695 GLU 29 696 GLU 30 697 VAL 31 698 GLN 32 699 LYS 33 700 GLU 34 701 LEU 35 702 MET 36 703 ALA 37 704 GLU 38 705 TRP 39 706 GLU 40 707 ARG 41 708 ALA 42 709 GLY 43 710 ALA 44 711 ALA 45 712 ARG 46 713 PRO 47 714 SER 48 715 ALA 49 716 HIS 50 717 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-02 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 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 50 100.00 100.00 1.94e-26 stop_ save_ save_Ubiquitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass 8576.914 _Mol_thiol_state 'not present' _Details . _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11505 entity 100.00 76 98.68 98.68 2.41e-45 BMRB 11547 ubiquitin 100.00 76 98.68 98.68 2.41e-45 BMRB 15047 denatured_ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 15410 Ubi 100.00 76 100.00 100.00 4.45e-46 BMRB 15689 UBB 98.68 103 98.67 100.00 4.23e-44 BMRB 15866 ubiquitin 98.68 76 100.00 100.00 2.71e-45 BMRB 15907 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 16228 ubiquitin 100.00 76 97.37 98.68 1.18e-44 BMRB 16582 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 16626 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 16763 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 16885 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 16895 UBB+1 98.68 103 98.67 100.00 4.23e-44 BMRB 17059 ubiquitin 100.00 156 100.00 100.00 5.21e-46 BMRB 17181 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 17239 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 17333 UB 100.00 76 100.00 100.00 4.45e-46 BMRB 17439 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 17769 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 17919 entity 100.00 76 100.00 100.00 4.45e-46 BMRB 18582 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 18583 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 18584 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 18610 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 18611 Ubiquitin_A_state 100.00 76 100.00 100.00 4.45e-46 BMRB 18737 UBIQUITIN 100.00 76 100.00 100.00 4.45e-46 BMRB 19394 ubiquitin 100.00 79 100.00 100.00 4.53e-46 BMRB 19399 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 19406 entity 100.00 152 100.00 100.00 4.37e-45 BMRB 19412 entity 100.00 152 100.00 100.00 4.37e-45 BMRB 19447 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 25070 Ubiquitin 100.00 79 100.00 100.00 4.53e-46 BMRB 25230 Ubiquitin 100.00 78 100.00 100.00 3.66e-46 BMRB 4245 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 4375 Ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 4983 Ubiquitin 98.68 76 97.33 100.00 3.66e-44 BMRB 5101 uq1_51 67.11 53 100.00 100.00 2.13e-26 BMRB 5387 ubq 100.00 76 100.00 100.00 4.45e-46 BMRB 6457 Ub 100.00 76 100.00 100.00 4.45e-46 BMRB 6466 Ub 100.00 76 100.00 100.00 4.45e-46 BMRB 6470 Ub 100.00 76 100.00 100.00 4.45e-46 BMRB 6488 Ub 100.00 76 100.00 100.00 4.45e-46 BMRB 68 ubiquitin 100.00 76 100.00 100.00 4.45e-46 BMRB 7111 human_ubiquitin 100.00 76 100.00 100.00 4.45e-46 PDB 1AAR "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)" 100.00 76 100.00 100.00 4.45e-46 PDB 1CMX "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases" 98.68 76 100.00 100.00 2.99e-45 PDB 1D3Z "Ubiquitin Nmr Structure" 100.00 76 100.00 100.00 4.45e-46 PDB 1F9J "Structure Of A New Crystal Form Of Tetraubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 1G6J "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles" 98.68 76 100.00 100.00 5.16e-45 PDB 1GJZ "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin" 67.11 53 100.00 100.00 2.13e-26 PDB 1NBF "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 2.99e-45 PDB 1OGW "Synthetic Ubiquitin With Fluoro-Leu At 50 And 67" 100.00 76 97.37 97.37 1.80e-44 PDB 1P3Q "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9" 100.00 76 100.00 100.00 4.45e-46 PDB 1Q5W "Ubiquitin Recognition By Npl4 Zinc-Fingers" 100.00 76 100.00 100.00 4.45e-46 PDB 1S1Q "Tsg101(Uev) Domain In Complex With Ubiquitin" 98.68 76 100.00 100.00 5.16e-45 PDB 1TBE "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed" 100.00 76 100.00 100.00 4.45e-46 PDB 1UBI "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1" 100.00 76 100.00 100.00 4.45e-46 PDB 1UBQ "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution" 100.00 76 100.00 100.00 4.45e-46 PDB 1UZX "A Complex Of The Vps23 Uev With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 1V80 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 100.00 76 100.00 100.00 4.45e-46 PDB 1V81 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 100.00 76 100.00 100.00 4.45e-46 PDB 1VX7 "Cryo-em Structure Of The Plasmodium Falciparum 80s Ribosome Bound To The Anti-protozoan Drug Emetine, Large Subunit (protein On" 100.00 128 98.68 100.00 9.37e-46 PDB 1WR6 "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 1WRD "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 98.68 75 100.00 100.00 2.91e-45 PDB 1XQQ "Simultaneous Determination Of Protein Structure And Dynamics" 100.00 76 100.00 100.00 4.45e-46 PDB 1YD8 "Complex Of Human Gga3 Gat Domain And Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 1YIW "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin" 100.00 76 98.68 100.00 1.94e-45 PDB 1YJ1 "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin" 100.00 76 97.37 98.68 2.29e-44 PDB 1YX5 "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX" 100.00 98 100.00 100.00 1.57e-46 PDB 1YX6 "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX" 100.00 98 100.00 100.00 1.57e-46 PDB 1ZGU "Solution Structure Of The Human Mms2-Ubiquitin Complex" 100.00 76 98.68 100.00 1.06e-45 PDB 2AYO "Structure Of Usp14 Bound To Ubquitin Aldehyde" 98.68 76 100.00 100.00 2.99e-45 PDB 2BGF "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data" 100.00 76 100.00 100.00 4.45e-46 PDB 2C7M "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2C7N "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2D3G "Double Sided Ubiquitin Binding Of Hrs-Uim" 100.00 76 100.00 100.00 4.45e-46 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2DX5 "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2FCM "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 2.29e-44 PDB 2FCN "X-Ray Crystal Structure Of A Chemically Synthesized [d-Val35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 2.29e-44 PDB 2FCQ "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group" 100.00 76 98.68 100.00 1.94e-45 PDB 2FCS "X-Ray Crystal Structure Of A Chemically Synthesized [l-Gln35]ubiquitin With A Cubic Space Group" 100.00 76 97.37 98.68 2.61e-44 PDB 2FID "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2FIF "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 2G45 "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2GMI Mms2UBC13~UBIQUITIN 100.00 76 100.00 100.00 4.45e-46 PDB 2HD5 "Usp2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2HTH "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain" 100.00 76 100.00 100.00 4.45e-46 PDB 2IBI "Covalent Ubiquitin-Usp2 Complex" 98.68 75 100.00 100.00 2.91e-45 PDB 2J7Q "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U" 98.68 75 100.00 100.00 2.91e-45 PDB 2JF5 "Crystal Structure Of Lys63-Linked Di-Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 100.00 76 100.00 100.00 4.45e-46 PDB 2JY6 "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain" 100.00 76 100.00 100.00 4.45e-46 PDB 2JZZ "Solid-State Nmr Structure Of Microcrystalline Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2K25 "Automated Nmr Structure Of The Ubb By Fapsy" 98.68 103 98.67 100.00 4.23e-44 PDB 2K39 "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution" 100.00 76 100.00 100.00 4.45e-46 PDB 2K6D "Cin85 Sh3-C Domain In Complex With Ubiquitin" 98.68 76 100.00 100.00 2.71e-45 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KDE "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" 100.00 76 100.00 100.00 4.45e-46 PDB 2KDF "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" 100.00 76 100.00 100.00 4.45e-46 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 100.00 79 100.00 100.00 4.53e-46 PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 98.68 76 100.00 100.00 2.71e-45 PDB 2KLG "Pere Nmr Structure Of Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KN5 "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its " 100.00 76 100.00 100.00 4.45e-46 PDB 2KOX "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KTF "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2KX0 "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B" 98.68 103 98.67 100.00 4.23e-44 PDB 2L0F "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 100.00 76 100.00 100.00 4.45e-46 PDB 2L3Z "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2LD9 "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs" 100.00 77 100.00 100.00 5.39e-46 PDB 2LJ5 "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings" 100.00 76 100.00 100.00 4.45e-46 PDB 2LVO "Structure Of The Gp78cue Domain Bound To Monubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2LVP "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2LVQ "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2LZ6 "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 100.00 76 100.00 100.00 4.45e-46 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 100.00 78 100.00 100.00 3.66e-46 PDB 2MBH "Nmr Structure Of Eklf(22-40)/ubiquitin Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 2MBO "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl" 100.00 76 100.00 100.00 4.45e-46 PDB 2MBQ "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl" 100.00 76 100.00 100.00 4.45e-46 PDB 2MCN "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 100.00 76 100.00 100.00 4.45e-46 PDB 2MJ5 "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2MJB "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media" 100.00 76 100.00 100.00 4.45e-46 PDB 2MOR "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings" 100.00 76 100.00 100.00 4.45e-46 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 100.00 79 100.00 100.00 4.53e-46 PDB 2MUR "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex" 100.00 78 100.00 100.00 3.66e-46 PDB 2NR2 "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote" 100.00 76 100.00 100.00 4.45e-46 PDB 2O6V "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph" 100.00 76 100.00 100.00 4.45e-46 PDB 2OJR "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag" 100.00 111 100.00 100.00 1.56e-45 PDB 2OOB "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2PE9 "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso" 100.00 76 100.00 100.00 4.45e-46 PDB 2PEA "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten" 100.00 76 100.00 100.00 4.45e-46 PDB 2QHO "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 2RSU "Alternative Structure Of Ubiquitin" 100.00 76 98.68 98.68 2.41e-45 PDB 2RU6 "The Pure Alternative State Of Ubiquitin" 100.00 76 98.68 98.68 2.41e-45 PDB 2W9N "Crystal Structure Of Linear Di-Ubiquitin" 98.68 152 100.00 100.00 3.82e-44 PDB 2WDT "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme" 98.68 76 100.00 100.00 2.99e-45 PDB 2WWZ "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121" 100.00 76 100.00 100.00 4.45e-46 PDB 2WX0 "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21" 100.00 76 100.00 100.00 4.45e-46 PDB 2WX1 "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121" 100.00 76 100.00 100.00 4.45e-46 PDB 2XBB "Nedd4 Hect:ub Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 2XEW "Crystal Structure Of K11-Linked Diubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2XK5 "Crystal Structure Of K6-Linked Diubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2Y5B "Structure Of Usp21 In Complex With Linear Diubiquitin-Aldehyde" 98.68 152 100.00 100.00 2.82e-44 PDB 2Z59 "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 2ZCB "Crystal Structure Of Ubiquitin P37aP38A" 100.00 76 97.37 97.37 2.34e-44 PDB 2ZCC "Ubiquitin Crystallized Under High Pressure" 100.00 76 100.00 100.00 4.45e-46 PDB 2ZNV "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer" 100.00 77 100.00 100.00 5.05e-46 PDB 2ZVN "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group" 100.00 154 100.00 100.00 4.07e-45 PDB 2ZVO "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group" 100.00 154 100.00 100.00 4.07e-45 PDB 3A1Q "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 5.05e-46 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 100.00 76 100.00 100.00 4.45e-46 PDB 3A9J "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 5.05e-46 PDB 3A9K "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 100.00 77 100.00 100.00 5.05e-46 PDB 3AI5 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein" 97.37 307 100.00 100.00 1.12e-41 PDB 3ALB "Cyclic Lys48-Linked Tetraubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3AUL "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation" 100.00 76 100.00 100.00 4.45e-46 PDB 3AXC "Crystal Structure Of Linear Diubiquitin" 100.00 154 100.00 100.00 4.07e-45 PDB 3B08 "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 100.00 152 100.00 100.00 4.37e-45 PDB 3B0A "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 100.00 152 100.00 100.00 4.37e-45 PDB 3BY4 "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 98.68 75 100.00 100.00 2.91e-45 PDB 3C0R "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 98.68 75 100.00 100.00 2.91e-45 PDB 3DVG "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin" 100.00 80 100.00 100.00 5.61e-46 PDB 3DVN "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin" 100.00 80 100.00 100.00 5.61e-46 PDB 3EEC "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct" 100.00 76 100.00 100.00 4.45e-46 PDB 3EFU "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct" 100.00 76 100.00 100.00 4.45e-46 PDB 3EHV "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct" 100.00 76 100.00 100.00 4.45e-46 PDB 3H1U "Structure Of Ubiquitin In Complex With Cd Ions" 100.00 76 100.00 100.00 4.45e-46 PDB 3H7P "Crystal Structure Of K63-Linked Di-Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3H7S "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture" 100.00 76 98.68 98.68 1.91e-43 PDB 3HM3 "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3I3T "Crystal Structure Of Covalent Ubiquitin-usp21 Complex" 98.68 75 100.00 100.00 2.91e-45 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 98.68 75 100.00 100.00 2.91e-45 PDB 3IHP "Covalent Ubiquitin-Usp5 Complex" 98.68 75 100.00 100.00 2.91e-45 PDB 3JSV "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin" 100.00 77 100.00 100.00 5.05e-46 PDB 3JVZ E2~ubiquitin-Hect 100.00 81 100.00 100.00 5.23e-46 PDB 3JW0 E2~ubiquitin-Hect 100.00 81 100.00 100.00 5.23e-46 PDB 3K9O "The Crystal Structure Of E2-25k And Ubb+1 Complex" 98.68 96 100.00 100.00 8.68e-45 PDB 3K9P "The Crystal Structure Of E2-25k And Ubiquitin Complex" 100.00 79 100.00 100.00 4.53e-46 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 98.68 75 100.00 100.00 2.91e-45 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 98.68 75 100.00 100.00 2.91e-45 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 96.05 73 100.00 100.00 1.22e-43 PDB 3M3J "A New Crystal Form Of Lys48-Linked Diubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 98.68 76 100.00 100.00 2.99e-45 PDB 3MTN "Usp21 In Complex With A Ubiquitin-based, Usp21-specific Inhibitor" 88.16 85 98.51 98.51 1.00e-37 PDB 3N30 "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct" 100.00 76 100.00 100.00 4.45e-46 PDB 3N32 "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt" 100.00 76 100.00 100.00 4.45e-46 PDB 3NHE "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3NOB "Structure Of K11-linked Di-ubiquitin" 100.00 78 100.00 100.00 3.66e-46 PDB 3NS8 "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5" 100.00 76 100.00 100.00 4.45e-46 PDB 3O65 "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity" 98.68 76 100.00 100.00 2.99e-45 PDB 3OFI "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3OJ3 "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex" 100.00 79 100.00 100.00 4.53e-46 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 100.00 79 100.00 100.00 4.53e-46 PDB 3ONS "Crystal Structure Of Human Ubiquitin In A New Crystal Form" 94.74 72 100.00 100.00 5.80e-43 PDB 3PHD "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3PHW "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin" 98.68 75 100.00 100.00 2.91e-45 PDB 3PRM "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 98.68 75 100.00 100.00 2.91e-45 PDB 3PRP "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 98.68 75 100.00 100.00 2.91e-45 PDB 3PT2 "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin" 98.68 75 100.00 100.00 2.91e-45 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 100.00 79 100.00 100.00 4.53e-46 PDB 3Q3F "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas" 98.68 189 100.00 100.00 3.64e-44 PDB 3RUL "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes" 98.68 79 100.00 100.00 2.70e-45 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 100.00 76 100.00 100.00 4.45e-46 PDB 3TMP "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 2.99e-45 PDB 3U30 "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin" 100.00 172 100.00 100.00 4.69e-45 PDB 3UGB "Ubch5c~ubiquitin Conjugate" 100.00 76 100.00 100.00 4.45e-46 PDB 3VDZ "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms" 100.00 111 100.00 100.00 9.99e-46 PDB 3VFK "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier" 98.68 79 100.00 100.00 2.70e-45 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3VUW "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I" 100.00 76 100.00 100.00 4.45e-46 PDB 3VUX "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii" 100.00 76 100.00 100.00 4.45e-46 PDB 3VUY "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 3ZLZ "Lys6-linked Tri-ubiquitin" 100.00 76 98.68 100.00 1.06e-45 PDB 3ZNH "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl." 98.68 76 100.00 100.00 2.99e-45 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 100.00 81 100.00 100.00 5.23e-46 PDB 3ZNZ "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin" 100.00 152 100.00 100.00 4.37e-45 PDB 4A18 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 1" 100.00 129 97.37 98.68 1.83e-44 PDB 4A19 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 2" 100.00 129 97.37 98.68 1.83e-44 PDB 4A1B "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 3" 100.00 129 97.37 98.68 1.83e-44 PDB 4A1D "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 4" 100.00 129 97.37 98.68 1.83e-44 PDB 4ADX "The Cryo-em Structure Of The Archaeal 50s Ribosomal Subunit In Complex With Initiation Factor 6" 100.00 129 97.37 98.68 1.83e-44 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 100.00 80 100.00 100.00 4.66e-46 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex." 100.00 81 100.00 100.00 5.23e-46 PDB 4BBN "Nedd4 Hect-ub:ub Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 4BOS "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide" 100.00 76 100.00 100.00 4.45e-46 PDB 4BOZ "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 4BVU "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate" 100.00 76 100.00 100.00 4.45e-46 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 100.00 156 100.00 100.00 5.21e-46 PDB 4CXD "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 100.00 128 100.00 100.00 3.09e-46 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 76 100.00 100.00 4.45e-46 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 76 100.00 100.00 4.45e-46 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 98.68 76 100.00 100.00 2.71e-45 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 98.68 76 100.00 100.00 2.71e-45 PDB 4FJV "Crystal Structure Of Human Otubain2 And Ubiquitin Complex" 100.00 86 100.00 100.00 6.71e-46 PDB 4HXD "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases" 98.68 75 100.00 100.00 2.91e-45 PDB 4I6N "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester" 97.37 75 100.00 100.00 3.09e-44 PDB 4IG7 "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester" 98.68 75 100.00 100.00 2.91e-45 PDB 4IUM "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin" 98.68 76 100.00 100.00 2.99e-45 PDB 4JIO "Bro1 V Domain And Ubiquitin" 100.00 76 98.68 98.68 3.30e-45 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 4K1R "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin" 100.00 81 100.00 100.00 7.82e-46 PDB 4K7S "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 4.45e-46 PDB 4K7U "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 4.45e-46 PDB 4K7W "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub" 100.00 76 100.00 100.00 4.45e-46 PDB 4KSK "Gumby/fam105b In Complex With Ubiquitin" 100.00 80 100.00 100.00 4.66e-46 PDB 4KSL "Gumby/fam105b In Complex With Linear Di-ubiquitin" 100.00 156 100.00 100.00 4.31e-45 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 100.00 156 100.00 100.00 5.21e-46 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 100.00 156 100.00 100.00 5.21e-46 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 100.00 156 100.00 100.00 5.21e-46 PDB 4LCD "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3" 97.37 83 100.00 100.00 1.22e-44 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 100.00 76 100.00 100.00 4.45e-46 PDB 4LJO "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 4LJP "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex" 100.00 76 100.00 100.00 4.45e-46 PDB 4M0W "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 4MDK "Cdc34-ubiquitin-cc0651 Complex" 100.00 80 100.00 100.00 4.66e-46 PDB 4MM3 "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde" 98.68 76 100.00 100.00 2.99e-45 PDB 4MSM "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin" 100.00 81 100.00 100.00 7.82e-46 PDB 4MSQ "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin" 100.00 81 100.00 100.00 7.82e-46 PDB 4NQK "Structure Of An Ubiquitin Complex" 100.00 79 100.00 100.00 8.16e-46 PDB 4NQL "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin" 100.00 77 100.00 100.00 5.05e-46 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 100.00 79 100.00 100.00 8.16e-46 PDB 4PIG "Crystal Structure Of The Ubiquitin K11s Mutant" 100.00 76 98.68 98.68 1.92e-45 PDB 4PIH "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin" 100.00 76 98.68 98.68 1.92e-45 PDB 4PIJ "X-ray Crystal Structure Of The K11s/k63s Double Mutant Of Ubiquitin" 98.68 75 97.33 97.33 5.38e-44 PDB 4PQT "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And" 100.00 81 100.00 100.00 7.82e-46 PDB 4RF0 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 98.68 75 100.00 100.00 2.91e-45 PDB 4RF1 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 98.68 75 100.00 100.00 2.91e-45 PDB 4UN2 "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 4UPX "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 100.00 128 100.00 100.00 3.09e-46 PDB 4UQ1 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 100.00 128 100.00 100.00 3.09e-46 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 100.00 156 100.00 100.00 5.21e-46 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 100.00 156 100.00 100.00 5.21e-46 PDB 4W20 "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)" 100.00 128 100.00 100.00 3.09e-46 PDB 4W22 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 3.09e-46 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 100.00 156 100.00 100.00 5.21e-46 PDB 4W25 "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 3.09e-46 PDB 4W27 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 100.00 128 100.00 100.00 3.09e-46 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 100.00 156 100.00 100.00 5.21e-46 PDB 4WUR "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin" 100.00 76 100.00 100.00 4.45e-46 PDB 4WZP "Ser65 Phosphorylated Ubiquitin, Major Conformation" 100.00 76 98.68 98.68 3.16e-45 DBJ BAA03983 "polyubiquitin [Rattus norvegicus]" 100.00 305 100.00 100.00 2.21e-43 DBJ BAA09860 "polyubiquitin [Homo sapiens]" 100.00 611 98.68 98.68 1.04e-40 DBJ BAA11842 "ubiquitin [Cavia porcellus]" 100.00 311 100.00 100.00 2.40e-43 DBJ BAA11843 "ubiquitin extention protein [Cavia porcellus]" 100.00 156 100.00 100.00 5.21e-46 DBJ BAA23486 "polyubiquitin [Homo sapiens]" 100.00 609 98.68 98.68 5.60e-41 EMBL CAA25706 "unnamed protein product [Saccharomyces cerevisiae]" 50.00 191 100.00 100.00 2.98e-16 EMBL CAA26488 "unnamed protein product [Gallus gallus]" 100.00 157 98.68 98.68 2.66e-44 EMBL CAA28495 "ubiquitin [Homo sapiens]" 100.00 229 100.00 100.00 3.53e-44 EMBL CAA30183 "unnamed protein product [Dictyostelium discoideum]" 100.00 128 97.37 97.37 5.38e-44 EMBL CAA30815 "unnamed protein product [Cricetulus sp.]" 93.42 223 100.00 100.00 3.70e-40 GB AAA02769 "polyprotein [Bovine viral diarrhea virus 1-Osloss]" 98.68 3975 97.33 100.00 1.83e-39 GB AAA28154 "polyubiquitin [Caenorhabditis elegans]" 100.00 838 97.37 98.68 7.19e-40 GB AAA28997 "ubiquitin [Drosophila melanogaster]" 100.00 231 100.00 100.00 3.30e-44 GB AAA28998 "ubiquitin-hybrid protein precursor [Drosophila melanogaster]" 100.00 156 100.00 100.00 9.66e-46 GB AAA28999 "ubiquitin, partial [Drosophila melanogaster]" 100.00 76 100.00 100.00 4.45e-46 PIR I50437 "polyubiquitin 4 - chicken [Gallus gallus]" 100.00 305 100.00 100.00 2.21e-43 PIR I51568 "polyubiquitin - African clawed frog (fragment)" 100.00 167 100.00 100.00 6.83e-45 PIR I65237 "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat" 100.00 128 100.00 100.00 3.09e-46 PIR JN0790 "ubiquitin/ribosomal protein CEP52 fusion protein - Leishmania major" 100.00 128 97.37 98.68 2.33e-45 PIR S13928 "ubiquitin precursor - chicken [Gallus gallus]" 100.00 229 100.00 100.00 3.64e-44 PRF 0412265A ubiquitin 98.68 75 98.67 98.67 1.22e-44 PRF 1101405A "ubiquitin precursor" 50.00 191 100.00 100.00 2.95e-16 PRF 1212243A "ubiquitin S1" 100.00 76 100.00 100.00 4.45e-46 PRF 1212243B "ubiquitin S5" 92.11 77 98.57 98.57 7.61e-41 PRF 1212243C "ubiquitin S3" 100.00 76 100.00 100.00 4.45e-46 REF NP_001005123 "ubiquitin A-52 residue ribosomal protein fusion product 1 [Xenopus (Silurana) tropicalis]" 100.00 128 100.00 100.00 3.09e-46 REF NP_001006688 "ubiquitin C [Xenopus (Silurana) tropicalis]" 100.00 609 100.00 100.00 9.87e-42 REF NP_001009117 "polyubiquitin-B [Pan troglodytes]" 100.00 229 100.00 100.00 3.53e-44 REF NP_001009202 "polyubiquitin-B [Ovis aries]" 100.00 305 98.68 100.00 3.89e-43 REF NP_001009286 "ubiquitin-60S ribosomal protein L40 [Ovis aries]" 100.00 128 100.00 100.00 3.09e-46 SP P0C273 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 3.09e-46 SP P0C275 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 3.09e-46 SP P0C276 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 100.00 128 100.00 100.00 3.09e-46 SP P0CG47 "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]" 100.00 229 100.00 100.00 3.53e-44 SP P0CG48 "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]" 100.00 685 100.00 100.00 1.45e-41 TPD FAA00319 "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" 100.00 456 97.37 98.68 7.53e-41 TPG DAA18802 "TPA: polyubiquitin [Bos taurus]" 100.00 305 100.00 100.00 2.33e-43 TPG DAA20663 "TPA: ubiquitin C [Bos taurus]" 98.68 314 98.67 100.00 8.85e-42 TPG DAA20672 "TPA: ubiquitin B-like [Bos taurus]" 100.00 77 98.68 98.68 3.32e-45 TPG DAA24675 "TPA: 40S ribosomal protein S27a [Bos taurus]" 100.00 156 100.00 100.00 5.21e-46 TPG DAA28295 "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]" 100.00 128 100.00 100.00 3.09e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DNA_polymerase_iota_UBM2 'house mouse' 10090 Eukaryota Metazoa Mus musculus $Ubiquitin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $DNA_polymerase_iota_UBM2 'recombinant technology' . Escherichia coli 'BL21 Star DE3' pGEX-4T-1 $Ubiquitin 'recombinant technology' . Escherichia coli 'BL21 Star DE3' pET-19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15NUBM2+ub _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_polymerase_iota_UBM2 . mM 1 2 '[U-99% 15N]' $Ubiquitin . mM 4 8 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' CHAPS 2 mM . . 'natural abundance' PMSF 0.15 mM . . 'natural abundance' 'sodium azide' 0.2 '% w/v' . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_13C15NUBM2+ub _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_polymerase_iota_UBM2 . mM 1 2 '[U-95% 13C; U-99% 15N]' $Ubiquitin . mM 4 8 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' CHAPS 2 mM . . 'natural abundance' PMSF 0.15 mM . . 'natural abundance' 'sodium azide' 0.2 '% w/v' . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_15NUbi+ubm2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_polymerase_iota_UBM2 . mM 4 8 'natural abundance' $Ubiquitin . mM 1 2 '[U-99% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' CHAPS 2 mM . . 'natural abundance' PMSF 0.15 mM . . 'natural abundance' 'sodium azide' 0.2 '% w/v' . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_13C15NUbi+ubm2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_polymerase_iota_UBM2 . mM 4 8 'natural abundance' $Ubiquitin . mM 1 2 '[U-95% 13C; U-99% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' CHAPS 2 mM . . 'natural abundance' PMSF 0.15 mM . . 'natural abundance' 'sodium azide' 0.2 '% w/v' . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_labUbi-overUBM2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_polymerase_iota_UBM2 . mM 1 2 'natural abundance' $Ubiquitin . mM 4 8 '[U-95% 13C; U-99% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' CHAPS 2 mM . . 'natural abundance' PMSF 0.15 mM . . 'natural abundance' 'sodium azide' 0.2 '% w/v' . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2k.2 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_UNIO'08 _Saveframe_category software _Name UNIO _Version 1.0.4 loop_ _Vendor _Address _Electronic_address 'T. Herrmann' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'R. Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15NUBM2+ub save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15NUBM2+ub save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15NUBM2+ub save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15NUBM2+ub save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15NUBM2+ub save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NUBM2+ub save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15NUBM2+ub save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15NUbi+ubm2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15NUbi+ubm2 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15NUbi+ubm2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15NUbi+ubm2 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15NUbi+ubm2 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NUbi+ubm2 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15NUbi+ubm2 save_ save_3D_1H-13C-filtered-13C-edited_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-filtered-13C-edited NOESY' _Sample_label $13C15NUBM2+ub save_ save_3D_1H-13C-filtered-13C-edited_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-filtered-13C-edited NOESY' _Sample_label $13C15NUbi+ubm2 save_ save_3D_1H-13C-filtered-13C-edited_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-filtered-13C-edited NOESY' _Sample_label $labUbi-overUBM2 save_ ####################### # Sample conditions # ####################### save_Sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.189 . M pH 6.0 . pH pressure 1 . atm temperature 288 . 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_UBM2_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HCCH-COSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $13C15NUBM2+ub $15NUBM2+ub $13C15NUbi+ubm2 $15NUbi+ubm2 stop_ _Sample_conditions_label $Sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA polymerase iota UBM2' _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 1 668 1 GLY HA2 H 3.882 0.020 2 2 668 1 GLY HA3 H 3.882 0.020 2 3 668 1 GLY CA C 43.232 0.300 1 4 669 2 SER H H 8.764 0.020 1 5 669 2 SER HA H 4.822 0.020 1 6 669 2 SER HB2 H 3.875 0.020 2 7 669 2 SER HB3 H 3.900 0.020 2 8 669 2 SER CA C 56.665 0.300 1 9 669 2 SER CB C 63.195 0.300 1 10 669 2 SER N N 116.654 0.300 1 11 670 3 PRO HA H 4.414 0.020 1 12 670 3 PRO HB2 H 1.850 0.020 2 13 670 3 PRO HB3 H 2.273 0.020 2 14 670 3 PRO HD2 H 3.760 0.020 2 15 670 3 PRO HD3 H 3.846 0.020 2 16 670 3 PRO HG2 H 2.029 0.020 2 17 670 3 PRO HG3 H 2.029 0.020 2 18 670 3 PRO CA C 63.686 0.300 1 19 670 3 PRO CB C 31.930 0.300 1 20 670 3 PRO CD C 50.718 0.300 1 21 670 3 PRO CG C 27.432 0.300 1 22 671 4 GLU H H 8.547 0.020 1 23 671 4 GLU HA H 4.148 0.020 1 24 671 4 GLU HB2 H 1.820 0.020 2 25 671 4 GLU HB3 H 1.851 0.020 2 26 671 4 GLU HG2 H 2.052 0.020 2 27 671 4 GLU HG3 H 2.163 0.020 2 28 671 4 GLU CA C 56.957 0.300 1 29 671 4 GLU CB C 29.950 0.300 1 30 671 4 GLU CG C 36.030 0.300 1 31 671 4 GLU N N 119.620 0.300 1 32 672 5 PHE H H 8.098 0.020 1 33 672 5 PHE HA H 4.637 0.020 1 34 672 5 PHE HB2 H 2.996 0.020 2 35 672 5 PHE HB3 H 3.185 0.020 2 36 672 5 PHE HD1 H 7.247 0.020 3 37 672 5 PHE HD2 H 7.247 0.020 3 38 672 5 PHE HE1 H 7.331 0.020 3 39 672 5 PHE HE2 H 7.331 0.020 3 40 672 5 PHE HZ H 7.276 0.020 1 41 672 5 PHE CA C 57.530 0.300 1 42 672 5 PHE CB C 39.719 0.300 1 43 672 5 PHE CD1 C 131.783 0.300 3 44 672 5 PHE CE1 C 131.604 0.300 3 45 672 5 PHE CZ C 129.713 0.300 1 46 672 5 PHE N N 119.216 0.300 1 47 673 6 ASP H H 8.349 0.020 1 48 673 6 ASP HA H 4.609 0.020 1 49 673 6 ASP HB2 H 2.598 0.020 2 50 673 6 ASP HB3 H 2.691 0.020 2 51 673 6 ASP CA C 54.282 0.300 1 52 673 6 ASP CB C 41.210 0.300 1 53 673 6 ASP N N 121.466 0.300 1 54 674 7 SER H H 8.266 0.020 1 55 674 7 SER HA H 4.387 0.020 1 56 674 7 SER HB2 H 3.858 0.020 2 57 674 7 SER HB3 H 3.939 0.020 2 58 674 7 SER CA C 58.417 0.300 1 59 674 7 SER CB C 63.746 0.300 1 60 674 7 SER N N 116.004 0.300 1 61 675 8 ALA H H 8.393 0.020 1 62 675 8 ALA HA H 4.302 0.020 1 63 675 8 ALA HB H 1.411 0.020 1 64 675 8 ALA CA C 52.863 0.300 1 65 675 8 ALA CB C 19.163 0.300 1 66 675 8 ALA N N 125.120 0.300 1 67 676 9 GLU H H 8.266 0.020 1 68 676 9 GLU HA H 4.220 0.020 1 69 676 9 GLU HB2 H 1.945 0.020 2 70 676 9 GLU HB3 H 2.048 0.020 2 71 676 9 GLU HG2 H 2.245 0.020 2 72 676 9 GLU HG3 H 2.286 0.020 2 73 676 9 GLU CA C 56.604 0.300 1 74 676 9 GLU CB C 30.258 0.300 1 75 676 9 GLU CG C 31.949 0.300 1 76 676 9 GLU N N 118.732 0.300 1 77 677 10 GLU H H 8.353 0.020 1 78 677 10 GLU HA H 4.258 0.020 1 79 677 10 GLU HB2 H 1.944 0.020 2 80 677 10 GLU HB3 H 2.038 0.020 2 81 677 10 GLU HG2 H 2.243 0.020 2 82 677 10 GLU HG3 H 2.289 0.020 2 83 677 10 GLU CA C 56.401 0.300 1 84 677 10 GLU CB C 30.179 0.300 1 85 677 10 GLU CG C 36.130 0.300 1 86 677 10 GLU N N 121.265 0.300 1 87 678 11 LYS H H 8.332 0.020 1 88 678 11 LYS HA H 4.359 0.020 1 89 678 11 LYS HB2 H 1.720 0.020 2 90 678 11 LYS HB3 H 1.811 0.020 2 91 678 11 LYS HD2 H 1.660 0.020 2 92 678 11 LYS HD3 H 1.660 0.020 2 93 678 11 LYS HE2 H 2.982 0.020 2 94 678 11 LYS HE3 H 2.982 0.020 2 95 678 11 LYS HG2 H 1.404 0.020 2 96 678 11 LYS HG3 H 1.425 0.020 2 97 678 11 LYS CA C 55.626 0.300 1 98 678 11 LYS CB C 33.143 0.300 1 99 678 11 LYS CD C 29.038 0.300 1 100 678 11 LYS CE C 42.141 0.300 1 101 678 11 LYS CG C 24.649 0.300 1 102 678 11 LYS N N 122.140 0.300 1 103 679 12 LEU H H 8.406 0.020 1 104 679 12 LEU HA H 4.467 0.020 1 105 679 12 LEU HB2 H 1.182 0.020 2 106 679 12 LEU HB3 H 1.524 0.020 2 107 679 12 LEU HD1 H 0.865 0.020 2 108 679 12 LEU HD2 H 0.951 0.020 2 109 679 12 LEU HG H 1.648 0.020 1 110 679 12 LEU CA C 52.807 0.300 1 111 679 12 LEU CB C 41.612 0.300 1 112 679 12 LEU CD1 C 23.386 0.300 2 113 679 12 LEU CD2 C 25.628 0.300 2 114 679 12 LEU CG C 27.146 0.300 1 115 679 12 LEU N N 124.314 0.300 1 116 680 13 PRO HA H 4.447 0.020 1 117 680 13 PRO HB2 H 1.981 0.020 2 118 680 13 PRO HB3 H 1.981 0.020 2 119 680 13 PRO HD2 H 3.433 0.020 2 120 680 13 PRO HD3 H 3.677 0.020 2 121 680 13 PRO HG2 H 1.749 0.020 2 122 680 13 PRO HG3 H 1.967 0.020 2 123 680 13 PRO CA C 62.690 0.300 1 124 680 13 PRO CB C 30.372 0.300 1 125 680 13 PRO CD C 50.179 0.300 1 126 680 13 PRO CG C 27.229 0.300 1 127 681 14 PHE H H 7.475 0.020 1 128 681 14 PHE HA H 4.096 0.020 1 129 681 14 PHE HB2 H 2.488 0.020 2 130 681 14 PHE HB3 H 2.575 0.020 2 131 681 14 PHE HD1 H 6.887 0.020 3 132 681 14 PHE HD2 H 6.887 0.020 3 133 681 14 PHE HE1 H 6.708 0.020 3 134 681 14 PHE HE2 H 6.708 0.020 3 135 681 14 PHE HZ H 6.887 0.020 1 136 681 14 PHE CA C 55.432 0.300 1 137 681 14 PHE CB C 39.133 0.300 1 138 681 14 PHE CD1 C 131.131 0.300 3 139 681 14 PHE CE1 C 131.025 0.300 3 140 681 14 PHE CZ C 129.636 0.300 1 141 681 14 PHE N N 118.569 0.300 1 142 682 15 PRO HA H 4.742 0.020 1 143 682 15 PRO HB2 H 2.042 0.020 2 144 682 15 PRO HB3 H 2.279 0.020 2 145 682 15 PRO HD2 H 3.506 0.020 2 146 682 15 PRO HD3 H 3.601 0.020 2 147 682 15 PRO HG2 H 1.800 0.020 2 148 682 15 PRO HG3 H 1.941 0.020 2 149 682 15 PRO CA C 62.940 0.300 1 150 682 15 PRO CB C 34.255 0.300 1 151 682 15 PRO CD C 50.133 0.300 1 152 682 15 PRO CG C 24.681 0.300 1 153 683 16 PRO HA H 4.277 0.020 1 154 683 16 PRO HB2 H 1.897 0.020 2 155 683 16 PRO HB3 H 2.257 0.020 2 156 683 16 PRO CA C 64.083 0.300 1 157 683 16 PRO CB C 31.969 0.300 1 158 684 17 ASP H H 8.437 0.020 1 159 684 17 ASP HA H 4.391 0.020 1 160 684 17 ASP HB2 H 2.608 0.020 2 161 684 17 ASP HB3 H 2.778 0.020 2 162 684 17 ASP CA C 53.882 0.300 1 163 684 17 ASP CB C 39.599 0.300 1 164 684 17 ASP N N 113.468 0.300 1 165 685 18 ILE H H 7.024 0.020 1 166 685 18 ILE HA H 4.028 0.020 1 167 685 18 ILE HB H 1.714 0.020 1 168 685 18 ILE HD1 H 0.632 0.020 1 169 685 18 ILE HG12 H 0.901 0.020 2 170 685 18 ILE HG13 H 1.168 0.020 2 171 685 18 ILE HG2 H 0.634 0.020 1 172 685 18 ILE CA C 58.674 0.300 1 173 685 18 ILE CB C 37.601 0.300 1 174 685 18 ILE CD1 C 11.377 0.300 1 175 685 18 ILE CG1 C 26.947 0.300 1 176 685 18 ILE CG2 C 17.454 0.300 1 177 685 18 ILE N N 117.218 0.300 1 178 686 19 ASP H H 8.801 0.020 1 179 686 19 ASP HA H 4.864 0.020 1 180 686 19 ASP HB2 H 2.316 0.020 2 181 686 19 ASP HB3 H 2.802 0.020 2 182 686 19 ASP CA C 50.639 0.300 1 183 686 19 ASP CB C 41.582 0.300 1 184 686 19 ASP N N 126.637 0.300 1 185 687 20 PRO HA H 3.605 0.020 1 186 687 20 PRO HB2 H 1.848 0.020 2 187 687 20 PRO HB3 H 1.894 0.020 2 188 687 20 PRO HD2 H 3.800 0.020 2 189 687 20 PRO HD3 H 4.202 0.020 2 190 687 20 PRO HG2 H 1.438 0.020 2 191 687 20 PRO HG3 H 1.996 0.020 2 192 687 20 PRO CA C 64.376 0.300 1 193 687 20 PRO CB C 32.095 0.300 1 194 687 20 PRO CD C 51.094 0.300 1 195 687 20 PRO CG C 27.493 0.300 1 196 688 21 GLN H H 7.979 0.020 1 197 688 21 GLN HA H 4.069 0.020 1 198 688 21 GLN HB2 H 2.124 0.020 2 199 688 21 GLN HB3 H 2.153 0.020 2 200 688 21 GLN HE21 H 6.922 0.020 2 201 688 21 GLN HE22 H 7.852 0.020 2 202 688 21 GLN HG2 H 2.374 0.020 2 203 688 21 GLN HG3 H 2.474 0.020 2 204 688 21 GLN CA C 58.874 0.300 1 205 688 21 GLN CB C 28.310 0.300 1 206 688 21 GLN CG C 34.566 0.300 1 207 688 21 GLN N N 112.299 0.300 1 208 688 21 GLN NE2 N 112.346 0.300 1 209 689 22 VAL H H 7.290 0.020 1 210 689 22 VAL HA H 3.595 0.020 1 211 689 22 VAL HB H 2.187 0.020 1 212 689 22 VAL HG1 H 0.960 0.020 2 213 689 22 VAL HG2 H 1.015 0.020 2 214 689 22 VAL CA C 65.435 0.300 1 215 689 22 VAL CB C 31.708 0.300 1 216 689 22 VAL CG1 C 22.023 0.300 2 217 689 22 VAL CG2 C 22.545 0.300 2 218 689 22 VAL N N 116.880 0.300 1 219 690 23 PHE H H 7.549 0.020 1 220 690 23 PHE HA H 3.772 0.020 1 221 690 23 PHE HB2 H 2.658 0.020 2 222 690 23 PHE HB3 H 2.935 0.020 2 223 690 23 PHE HD1 H 6.541 0.020 3 224 690 23 PHE HD2 H 6.541 0.020 3 225 690 23 PHE HE1 H 7.241 0.020 3 226 690 23 PHE HE2 H 7.241 0.020 3 227 690 23 PHE CA C 62.018 0.300 1 228 690 23 PHE CB C 39.342 0.300 1 229 690 23 PHE CD1 C 131.596 0.300 3 230 690 23 PHE CE1 C 131.616 0.300 3 231 690 23 PHE N N 118.636 0.300 1 232 691 24 TYR H H 7.924 0.020 1 233 691 24 TYR HA H 4.302 0.020 1 234 691 24 TYR HB2 H 2.815 0.020 2 235 691 24 TYR HB3 H 3.325 0.020 2 236 691 24 TYR HD1 H 7.329 0.020 3 237 691 24 TYR HD2 H 7.329 0.020 3 238 691 24 TYR HE1 H 6.971 0.020 3 239 691 24 TYR HE2 H 6.971 0.020 3 240 691 24 TYR CA C 60.294 0.300 1 241 691 24 TYR CB C 37.332 0.300 1 242 691 24 TYR CD1 C 133.608 0.300 3 243 691 24 TYR CE1 C 117.724 0.300 3 244 691 24 TYR N N 111.843 0.300 1 245 692 25 GLU H H 7.579 0.020 1 246 692 25 GLU HA H 4.187 0.020 1 247 692 25 GLU HB2 H 1.949 0.020 2 248 692 25 GLU HB3 H 2.150 0.020 2 249 692 25 GLU HG2 H 2.307 0.020 2 250 692 25 GLU HG3 H 2.749 0.020 2 251 692 25 GLU CA C 56.299 0.300 1 252 692 25 GLU CB C 30.133 0.300 1 253 692 25 GLU CG C 36.221 0.300 1 254 692 25 GLU N N 116.731 0.300 1 255 693 26 LEU H H 7.236 0.020 1 256 693 26 LEU HA H 4.113 0.020 1 257 693 26 LEU HB2 H 0.849 0.020 2 258 693 26 LEU HB3 H 1.642 0.020 2 259 693 26 LEU HD1 H 0.453 0.020 2 260 693 26 LEU HD2 H 0.685 0.020 2 261 693 26 LEU HG H 1.935 0.020 1 262 693 26 LEU CA C 52.726 0.300 1 263 693 26 LEU CB C 40.137 0.300 1 264 693 26 LEU CD1 C 21.610 0.300 2 265 693 26 LEU CD2 C 26.667 0.300 2 266 693 26 LEU CG C 25.281 0.300 1 267 693 26 LEU N N 118.683 0.300 1 268 694 27 PRO HA H 4.456 0.020 1 269 694 27 PRO HB2 H 2.619 0.020 2 270 694 27 PRO HB3 H 2.619 0.020 2 271 694 27 PRO HD2 H 3.108 0.020 2 272 694 27 PRO HD3 H 3.784 0.020 2 273 694 27 PRO HG2 H 1.892 0.020 2 274 694 27 PRO HG3 H 1.985 0.020 2 275 694 27 PRO CA C 62.499 0.300 1 276 694 27 PRO CB C 32.384 0.300 1 277 694 27 PRO CD C 49.716 0.300 1 278 694 27 PRO CG C 28.096 0.300 1 279 695 28 GLU H H 9.250 0.020 1 280 695 28 GLU HA H 3.713 0.020 1 281 695 28 GLU HB2 H 1.993 0.020 2 282 695 28 GLU HB3 H 2.119 0.020 2 283 695 28 GLU HG2 H 2.237 0.020 2 284 695 28 GLU HG3 H 2.348 0.020 2 285 695 28 GLU CA C 60.347 0.300 1 286 695 28 GLU CB C 29.518 0.300 1 287 695 28 GLU CG C 36.412 0.300 1 288 695 28 GLU N N 125.682 0.300 1 289 696 29 GLU H H 9.529 0.020 1 290 696 29 GLU HA H 4.011 0.020 1 291 696 29 GLU HB2 H 2.013 0.020 2 292 696 29 GLU HB3 H 2.013 0.020 2 293 696 29 GLU HG2 H 2.301 0.020 2 294 696 29 GLU HG3 H 2.352 0.020 2 295 696 29 GLU CA C 59.689 0.300 1 296 696 29 GLU CB C 28.736 0.300 1 297 696 29 GLU CG C 36.063 0.300 1 298 696 29 GLU N N 116.022 0.300 1 299 697 30 VAL H H 6.931 0.020 1 300 697 30 VAL HA H 3.800 0.020 1 301 697 30 VAL HB H 1.920 0.020 1 302 697 30 VAL HG1 H 0.866 0.020 2 303 697 30 VAL HG2 H 0.881 0.020 2 304 697 30 VAL CA C 64.813 0.300 1 305 697 30 VAL CB C 31.596 0.300 1 306 697 30 VAL CG1 C 22.220 0.300 2 307 697 30 VAL CG2 C 22.487 0.300 2 308 697 30 VAL N N 119.056 0.300 1 309 698 31 GLN H H 7.837 0.020 1 310 698 31 GLN HA H 3.451 0.020 1 311 698 31 GLN HB2 H 1.907 0.020 2 312 698 31 GLN HB3 H 2.118 0.020 2 313 698 31 GLN HE21 H 6.770 0.020 2 314 698 31 GLN HE22 H 7.184 0.020 2 315 698 31 GLN CA C 59.365 0.300 1 316 698 31 GLN CB C 28.321 0.300 1 317 698 31 GLN N N 118.144 0.300 1 318 698 31 GLN NE2 N 110.677 0.300 1 319 699 32 LYS H H 8.054 0.020 1 320 699 32 LYS HA H 3.950 0.020 1 321 699 32 LYS HB2 H 1.825 0.020 2 322 699 32 LYS HB3 H 1.850 0.020 2 323 699 32 LYS HD2 H 1.675 0.020 2 324 699 32 LYS HD3 H 1.675 0.020 2 325 699 32 LYS HE2 H 2.956 0.020 2 326 699 32 LYS HE3 H 2.956 0.020 2 327 699 32 LYS HG2 H 1.453 0.020 2 328 699 32 LYS HG3 H 1.667 0.020 2 329 699 32 LYS CA C 59.619 0.300 1 330 699 32 LYS CB C 32.550 0.300 1 331 699 32 LYS CD C 29.327 0.300 1 332 699 32 LYS CE C 41.969 0.300 1 333 699 32 LYS CG C 25.644 0.300 1 334 699 32 LYS N N 114.920 0.300 1 335 700 33 GLU H H 7.438 0.020 1 336 700 33 GLU HA H 3.991 0.020 1 337 700 33 GLU HB2 H 2.083 0.020 2 338 700 33 GLU HB3 H 2.185 0.020 2 339 700 33 GLU HG2 H 2.458 0.020 2 340 700 33 GLU HG3 H 2.458 0.020 2 341 700 33 GLU CA C 59.156 0.300 1 342 700 33 GLU CB C 29.845 0.300 1 343 700 33 GLU CG C 35.951 0.300 1 344 700 33 GLU N N 120.466 0.300 1 345 701 34 LEU H H 8.139 0.020 1 346 701 34 LEU HA H 3.534 0.020 1 347 701 34 LEU HB2 H 0.263 0.020 2 348 701 34 LEU HB3 H 1.582 0.020 2 349 701 34 LEU HD1 H 0.725 0.020 2 350 701 34 LEU HD2 H 0.816 0.020 2 351 701 34 LEU HG H 1.611 0.020 1 352 701 34 LEU CA C 57.392 0.300 1 353 701 34 LEU CB C 40.887 0.300 1 354 701 34 LEU CD1 C 22.352 0.300 2 355 701 34 LEU CD2 C 26.844 0.300 2 356 701 34 LEU CG C 27.011 0.300 1 357 701 34 LEU N N 119.847 0.300 1 358 702 35 MET H H 8.069 0.020 1 359 702 35 MET HA H 4.055 0.020 1 360 702 35 MET HB2 H 2.129 0.020 2 361 702 35 MET HB3 H 2.129 0.020 2 362 702 35 MET HE H 1.949 0.020 1 363 702 35 MET HG2 H 2.665 0.020 2 364 702 35 MET HG3 H 2.798 0.020 2 365 702 35 MET CA C 58.190 0.300 1 366 702 35 MET CB C 31.886 0.300 1 367 702 35 MET CE C 16.805 0.300 1 368 702 35 MET CG C 32.504 0.300 1 369 702 35 MET N N 115.122 0.300 1 370 703 36 ALA H H 7.744 0.020 1 371 703 36 ALA HA H 4.197 0.020 1 372 703 36 ALA HB H 1.486 0.020 1 373 703 36 ALA CA C 54.852 0.300 1 374 703 36 ALA CB C 17.800 0.300 1 375 703 36 ALA N N 119.547 0.300 1 376 704 37 GLU H H 7.601 0.020 1 377 704 37 GLU HA H 4.143 0.020 1 378 704 37 GLU HB2 H 2.060 0.020 2 379 704 37 GLU HB3 H 2.060 0.020 2 380 704 37 GLU HG2 H 2.320 0.020 2 381 704 37 GLU HG3 H 2.367 0.020 2 382 704 37 GLU CA C 58.868 0.300 1 383 704 37 GLU CB C 28.784 0.300 1 384 704 37 GLU CG C 35.651 0.300 1 385 704 37 GLU N N 119.224 0.300 1 386 705 38 TRP H H 8.633 0.020 1 387 705 38 TRP HA H 4.696 0.020 1 388 705 38 TRP HB2 H 3.258 0.020 2 389 705 38 TRP HB3 H 3.421 0.020 2 390 705 38 TRP HD1 H 7.127 0.020 1 391 705 38 TRP HE1 H 10.261 0.020 1 392 705 38 TRP HE3 H 7.478 0.020 1 393 705 38 TRP HH2 H 6.802 0.020 1 394 705 38 TRP HZ2 H 7.328 0.020 1 395 705 38 TRP HZ3 H 6.477 0.020 1 396 705 38 TRP CA C 58.374 0.300 1 397 705 38 TRP CB C 28.308 0.300 1 398 705 38 TRP CD1 C 124.579 0.300 1 399 705 38 TRP CE3 C 120.836 0.300 1 400 705 38 TRP CH2 C 123.861 0.300 1 401 705 38 TRP CZ2 C 113.825 0.300 1 402 705 38 TRP CZ3 C 121.174 0.300 1 403 705 38 TRP N N 121.155 0.300 1 404 705 38 TRP NE1 N 127.708 0.300 1 405 706 39 GLU H H 8.512 0.020 1 406 706 39 GLU HA H 4.141 0.020 1 407 706 39 GLU HB2 H 2.148 0.020 2 408 706 39 GLU HB3 H 2.207 0.020 2 409 706 39 GLU HG2 H 2.289 0.020 2 410 706 39 GLU HG3 H 2.466 0.020 2 411 706 39 GLU CA C 59.090 0.300 1 412 706 39 GLU CB C 29.573 0.300 1 413 706 39 GLU CG C 36.240 0.300 1 414 706 39 GLU N N 119.328 0.300 1 415 707 40 ARG H H 7.885 0.020 1 416 707 40 ARG HA H 4.151 0.020 1 417 707 40 ARG HB2 H 1.993 0.020 2 418 707 40 ARG HB3 H 1.993 0.020 2 419 707 40 ARG HD2 H 3.237 0.020 2 420 707 40 ARG HD3 H 3.237 0.020 2 421 707 40 ARG HE H 7.523 0.020 1 422 707 40 ARG HG2 H 1.680 0.020 2 423 707 40 ARG HG3 H 1.830 0.020 2 424 707 40 ARG CA C 58.584 0.300 1 425 707 40 ARG CB C 30.384 0.300 1 426 707 40 ARG CD C 43.414 0.300 1 427 707 40 ARG CG C 27.450 0.300 1 428 707 40 ARG N N 119.176 0.300 1 429 707 40 ARG NE N 83.228 0.300 1 430 708 41 ALA H H 8.169 0.020 1 431 708 41 ALA HA H 4.290 0.020 1 432 708 41 ALA HB H 1.563 0.020 1 433 708 41 ALA CA C 53.535 0.300 1 434 708 41 ALA CB C 18.900 0.300 1 435 708 41 ALA N N 120.644 0.300 1 436 709 42 GLY H H 8.038 0.020 1 437 709 42 GLY HA2 H 3.953 0.020 2 438 709 42 GLY HA3 H 3.953 0.020 2 439 709 42 GLY CA C 45.719 0.300 1 440 709 42 GLY N N 105.773 0.300 1 441 710 43 ALA H H 7.927 0.020 1 442 710 43 ALA HA H 4.270 0.020 1 443 710 43 ALA HB H 1.413 0.020 1 444 710 43 ALA CA C 52.659 0.300 1 445 710 43 ALA CB C 19.253 0.300 1 446 710 43 ALA N N 122.105 0.300 1 447 711 44 ALA H H 8.050 0.020 1 448 711 44 ALA HA H 4.297 0.020 1 449 711 44 ALA HB H 1.366 0.020 1 450 711 44 ALA CA C 52.180 0.300 1 451 711 44 ALA CB C 19.206 0.300 1 452 711 44 ALA N N 121.003 0.300 1 453 712 45 ARG H H 8.145 0.020 1 454 712 45 ARG HA H 4.613 0.020 1 455 712 45 ARG HB2 H 1.753 0.020 2 456 712 45 ARG HB3 H 1.855 0.020 2 457 712 45 ARG HD2 H 3.215 0.020 2 458 712 45 ARG HD3 H 3.215 0.020 2 459 712 45 ARG HE H 7.285 0.020 1 460 712 45 ARG HG2 H 1.684 0.020 2 461 712 45 ARG HG3 H 1.684 0.020 2 462 712 45 ARG CA C 53.998 0.300 1 463 712 45 ARG CB C 30.154 0.300 1 464 712 45 ARG CD C 43.413 0.300 1 465 712 45 ARG CG C 26.871 0.300 1 466 712 45 ARG N N 120.351 0.300 1 467 712 45 ARG NE N 83.971 0.300 1 468 713 46 PRO HA H 4.445 0.020 1 469 713 46 PRO HB2 H 1.928 0.020 2 470 713 46 PRO HB3 H 2.320 0.020 2 471 713 46 PRO HD2 H 3.651 0.020 2 472 713 46 PRO HD3 H 3.800 0.020 2 473 713 46 PRO HG2 H 2.013 0.020 2 474 713 46 PRO HG3 H 2.042 0.020 2 475 713 46 PRO CA C 63.247 0.300 1 476 713 46 PRO CB C 32.056 0.300 1 477 713 46 PRO CD C 50.520 0.300 1 478 713 46 PRO CG C 27.431 0.300 1 479 714 47 SER H H 8.481 0.020 1 480 714 47 SER HA H 4.390 0.020 1 481 714 47 SER HB2 H 3.844 0.020 2 482 714 47 SER HB3 H 3.888 0.020 2 483 714 47 SER CA C 58.278 0.300 1 484 714 47 SER CB C 63.785 0.300 1 485 714 47 SER N N 115.382 0.300 1 486 715 48 ALA H H 8.384 0.020 1 487 715 48 ALA HA H 4.316 0.020 1 488 715 48 ALA HB H 1.359 0.020 1 489 715 48 ALA CA C 52.382 0.300 1 490 715 48 ALA CB C 19.290 0.300 1 491 715 48 ALA N N 125.055 0.300 1 492 716 49 HIS H H 8.377 0.020 1 493 716 49 HIS HA H 4.671 0.020 1 494 716 49 HIS HB2 H 3.209 0.020 2 495 716 49 HIS HB3 H 3.256 0.020 2 496 716 49 HIS HD2 H 7.290 0.020 1 497 716 49 HIS HE1 H 8.506 0.020 1 498 716 49 HIS CA C 55.198 0.300 1 499 716 49 HIS CB C 29.407 0.300 1 500 716 49 HIS CD2 C 120.364 0.300 1 501 716 49 HIS CE1 C 136.736 0.300 1 502 716 49 HIS N N 117.339 0.300 1 503 717 50 ARG H H 8.239 0.020 1 504 717 50 ARG HA H 4.166 0.020 1 505 717 50 ARG HB2 H 1.728 0.020 2 506 717 50 ARG HB3 H 1.868 0.020 2 507 717 50 ARG HD2 H 3.202 0.020 2 508 717 50 ARG HD3 H 3.202 0.020 2 509 717 50 ARG HE H 7.249 0.020 1 510 717 50 ARG HG2 H 1.610 0.020 2 511 717 50 ARG HG3 H 1.610 0.020 2 512 717 50 ARG CA C 57.590 0.300 1 513 717 50 ARG CB C 31.190 0.300 1 514 717 50 ARG CD C 43.389 0.300 1 515 717 50 ARG CG C 27.297 0.300 1 516 717 50 ARG N N 127.354 0.300 1 517 717 50 ARG NE N 84.228 0.300 1 stop_ save_ save_UBM2_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HCCH-COSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $13C15NUBM2+ub $15NUBM2+ub $13C15NUbi+ubm2 $15NUbi+ubm2 stop_ _Sample_conditions_label $Sample_conditions _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 1 MET HA H 4.245 0.020 1 2 1 1 MET HB2 H 2.104 0.020 2 3 1 1 MET HB3 H 2.104 0.020 2 4 1 1 MET HG2 H 2.576 0.020 2 5 1 1 MET HG3 H 2.576 0.020 2 6 1 1 MET CA C 54.511 0.300 1 7 1 1 MET CB C 33.165 0.300 1 8 1 1 MET CG C 30.944 0.300 1 9 2 2 GLN H H 9.068 0.020 1 10 2 2 GLN HA H 5.328 0.020 1 11 2 2 GLN HB2 H 1.615 0.020 2 12 2 2 GLN HB3 H 1.854 0.020 2 13 2 2 GLN HE21 H 6.838 0.020 2 14 2 2 GLN HE22 H 7.856 0.020 2 15 2 2 GLN HG2 H 1.900 0.020 2 16 2 2 GLN HG3 H 2.243 0.020 2 17 2 2 GLN CA C 55.132 0.300 1 18 2 2 GLN CB C 30.795 0.300 1 19 2 2 GLN CG C 34.722 0.300 1 20 2 2 GLN N N 120.516 0.300 1 21 2 2 GLN NE2 N 110.005 0.300 1 22 3 3 ILE H H 8.314 0.020 1 23 3 3 ILE HA H 4.163 0.020 1 24 3 3 ILE HB H 1.746 0.020 1 25 3 3 ILE HD1 H 0.590 0.020 1 26 3 3 ILE HG12 H 0.699 0.020 2 27 3 3 ILE HG13 H 0.699 0.020 2 28 3 3 ILE HG2 H 0.618 0.020 1 29 3 3 ILE CA C 59.826 0.300 1 30 3 3 ILE CB C 42.182 0.300 1 31 3 3 ILE CD1 C 14.201 0.300 1 32 3 3 ILE CG1 C 24.829 0.300 1 33 3 3 ILE CG2 C 17.851 0.300 1 34 3 3 ILE N N 112.279 0.300 1 35 4 4 PHE H H 8.641 0.020 1 36 4 4 PHE HA H 5.582 0.020 1 37 4 4 PHE HB2 H 2.854 0.020 2 38 4 4 PHE HB3 H 3.036 0.020 2 39 4 4 PHE HD1 H 7.079 0.020 3 40 4 4 PHE HE1 H 7.241 0.020 3 41 4 4 PHE HD2 H 7.079 0.020 3 42 4 4 PHE HE2 H 7.241 0.020 3 43 4 4 PHE CA C 55.248 0.300 1 44 4 4 PHE CB C 41.160 0.300 1 45 4 4 PHE CD1 C 132.917 0.300 3 46 4 4 PHE CE1 C 131.765 0.300 3 47 4 4 PHE N N 116.016 0.300 1 48 5 5 VAL H H 9.453 0.020 1 49 5 5 VAL HA H 4.745 0.020 1 50 5 5 VAL HB H 1.944 0.020 1 51 5 5 VAL HG1 H 0.734 0.020 2 52 5 5 VAL HG2 H 0.697 0.020 2 53 5 5 VAL CA C 60.617 0.300 1 54 5 5 VAL CB C 33.992 0.300 1 55 5 5 VAL CG1 C 20.776 0.300 2 56 5 5 VAL CG2 C 23.073 0.300 2 57 5 5 VAL N N 119.489 0.300 1 58 6 6 LYS H H 9.188 0.020 1 59 6 6 LYS HA H 5.349 0.020 1 60 6 6 LYS HB2 H 1.330 0.020 2 61 6 6 LYS HB3 H 1.614 0.020 2 62 6 6 LYS HD2 H 1.587 0.020 2 63 6 6 LYS HD3 H 1.587 0.020 2 64 6 6 LYS HE2 H 2.824 0.020 2 65 6 6 LYS HE3 H 2.824 0.020 2 66 6 6 LYS HG2 H 1.343 0.020 2 67 6 6 LYS HG3 H 1.514 0.020 2 68 6 6 LYS CA C 54.953 0.300 1 69 6 6 LYS CB C 34.912 0.300 1 70 6 6 LYS CD C 29.737 0.300 1 71 6 6 LYS CE C 41.754 0.300 1 72 6 6 LYS CG C 24.994 0.300 1 73 6 6 LYS N N 125.998 0.300 1 74 7 7 THR H H 8.895 0.020 1 75 7 7 THR HA H 5.196 0.020 1 76 7 7 THR HB H 4.878 0.020 1 77 7 7 THR HG2 H 1.219 0.020 1 78 7 7 THR CA C 60.122 0.300 1 79 7 7 THR CB C 70.949 0.300 1 80 7 7 THR CG2 C 21.702 0.300 1 81 7 7 THR N N 112.851 0.300 1 82 8 8 LEU H H 9.208 0.020 1 83 8 8 LEU HA H 4.285 0.020 1 84 8 8 LEU HB2 H 1.997 0.020 2 85 8 8 LEU HB3 H 1.997 0.020 2 86 8 8 LEU HD1 H 1.181 0.020 2 87 8 8 LEU HD2 H 1.293 0.020 2 88 8 8 LEU HG H 2.143 0.020 1 89 8 8 LEU CA C 57.033 0.300 1 90 8 8 LEU CB C 42.622 0.300 1 91 8 8 LEU CD1 C 25.029 0.300 2 92 8 8 LEU CD2 C 26.047 0.300 2 93 8 8 LEU CG C 27.893 0.300 1 94 8 8 LEU N N 117.210 0.300 1 95 9 9 THR H H 7.573 0.020 1 96 9 9 THR HA H 4.744 0.020 1 97 9 9 THR HB H 4.628 0.020 1 98 9 9 THR HG2 H 1.234 0.020 1 99 9 9 THR CA C 61.340 0.300 1 100 9 9 THR CB C 69.447 0.300 1 101 9 9 THR CG2 C 21.903 0.300 1 102 9 9 THR N N 101.777 0.300 1 103 10 10 GLY H H 8.209 0.020 1 104 10 10 GLY HA2 H 3.600 0.020 2 105 10 10 GLY HA3 H 4.543 0.020 2 106 10 10 GLY CA C 45.557 0.300 1 107 10 10 GLY N N 106.897 0.300 1 108 11 11 LYS H H 7.389 0.020 1 109 11 11 LYS HA H 4.355 0.020 1 110 11 11 LYS HB2 H 1.715 0.020 2 111 11 11 LYS HB3 H 1.825 0.020 2 112 11 11 LYS HD2 H 1.626 0.020 2 113 11 11 LYS HD3 H 1.626 0.020 2 114 11 11 LYS HE2 H 2.919 0.020 2 115 11 11 LYS HE3 H 2.919 0.020 2 116 11 11 LYS HG2 H 1.222 0.020 2 117 11 11 LYS HG3 H 1.428 0.020 2 118 11 11 LYS CA C 56.567 0.300 1 119 11 11 LYS CB C 33.508 0.300 1 120 11 11 LYS CD C 29.653 0.300 1 121 11 11 LYS CE C 42.026 0.300 1 122 11 11 LYS CG C 25.398 0.300 1 123 11 11 LYS N N 120.099 0.300 1 124 12 12 THR H H 8.778 0.020 1 125 12 12 THR HA H 5.082 0.020 1 126 12 12 THR HB H 3.943 0.020 1 127 12 12 THR HG2 H 1.079 0.020 1 128 12 12 THR CA C 62.455 0.300 1 129 12 12 THR CB C 69.971 0.300 1 130 12 12 THR CG2 C 22.001 0.300 1 131 12 12 THR N N 118.793 0.300 1 132 13 13 ILE H H 9.792 0.020 1 133 13 13 ILE HA H 4.415 0.020 1 134 13 13 ILE HB H 1.843 0.020 1 135 13 13 ILE HD1 H 0.713 0.020 1 136 13 13 ILE HG12 H 1.062 0.020 2 137 13 13 ILE HG13 H 1.489 0.020 2 138 13 13 ILE HG2 H 0.877 0.020 1 139 13 13 ILE CA C 60.240 0.300 1 140 13 13 ILE CB C 41.039 0.300 1 141 13 13 ILE CD1 C 14.760 0.300 1 142 13 13 ILE CG1 C 27.211 0.300 1 143 13 13 ILE CG2 C 17.718 0.300 1 144 13 13 ILE N N 127.426 0.300 1 145 14 14 THR H H 8.920 0.020 1 146 14 14 THR HA H 4.956 0.020 1 147 14 14 THR HB H 4.058 0.020 1 148 14 14 THR HG2 H 1.147 0.020 1 149 14 14 THR CA C 62.391 0.300 1 150 14 14 THR CB C 69.628 0.300 1 151 14 14 THR CG2 C 21.873 0.300 1 152 14 14 THR N N 120.815 0.300 1 153 15 15 LEU H H 8.742 0.020 1 154 15 15 LEU HA H 4.793 0.020 1 155 15 15 LEU HB2 H 1.204 0.020 2 156 15 15 LEU HB3 H 1.361 0.020 2 157 15 15 LEU HD1 H 0.709 0.020 2 158 15 15 LEU HD2 H 0.758 0.020 2 159 15 15 LEU HG H 1.414 0.020 1 160 15 15 LEU CA C 52.842 0.300 1 161 15 15 LEU CB C 47.132 0.300 1 162 15 15 LEU CD1 C 27.284 0.300 2 163 15 15 LEU CD2 C 24.086 0.300 2 164 15 15 LEU CG C 26.866 0.300 1 165 15 15 LEU N N 122.840 0.300 1 166 16 16 GLU H H 8.195 0.020 1 167 16 16 GLU HA H 4.899 0.020 1 168 16 16 GLU HB2 H 1.834 0.020 2 169 16 16 GLU HB3 H 1.916 0.020 2 170 16 16 GLU HG2 H 2.091 0.020 2 171 16 16 GLU HG3 H 2.252 0.020 2 172 16 16 GLU CA C 55.036 0.300 1 173 16 16 GLU CB C 29.906 0.300 1 174 16 16 GLU CG C 35.470 0.300 1 175 16 16 GLU N N 120.152 0.300 1 176 17 17 VAL H H 9.029 0.020 1 177 17 17 VAL HA H 4.704 0.020 1 178 17 17 VAL HB H 2.323 0.020 1 179 17 17 VAL HG1 H 0.419 0.020 2 180 17 17 VAL HG2 H 0.705 0.020 2 181 17 17 VAL CA C 58.571 0.300 1 182 17 17 VAL CB C 36.468 0.300 1 183 17 17 VAL CG1 C 19.744 0.300 2 184 17 17 VAL CG2 C 22.221 0.300 2 185 17 17 VAL N N 115.220 0.300 1 186 18 18 GLU H H 8.688 0.020 1 187 18 18 GLU HA H 5.092 0.020 1 188 18 18 GLU HB2 H 1.592 0.020 2 189 18 18 GLU HB3 H 2.152 0.020 2 190 18 18 GLU HG2 H 2.213 0.020 2 191 18 18 GLU HG3 H 2.350 0.020 2 192 18 18 GLU CA C 52.785 0.300 1 193 18 18 GLU CB C 30.965 0.300 1 194 18 18 GLU CG C 35.171 0.300 1 195 18 18 GLU N N 116.712 0.300 1 196 19 19 PRO HA H 4.126 0.020 1 197 19 19 PRO HB2 H 2.008 0.020 2 198 19 19 PRO HB3 H 2.454 0.020 2 199 19 19 PRO HD2 H 3.803 0.020 2 200 19 19 PRO HD3 H 4.011 0.020 2 201 19 19 PRO HG2 H 2.051 0.020 2 202 19 19 PRO HG3 H 2.204 0.020 2 203 19 19 PRO CA C 65.442 0.300 1 204 19 19 PRO CB C 32.039 0.300 1 205 19 19 PRO CD C 50.549 0.300 1 206 19 19 PRO CG C 27.975 0.300 1 207 20 20 SER H H 7.093 0.020 1 208 20 20 SER HA H 4.368 0.020 1 209 20 20 SER HB2 H 3.786 0.020 2 210 20 20 SER HB3 H 4.160 0.020 2 211 20 20 SER CA C 57.474 0.300 1 212 20 20 SER CB C 63.502 0.300 1 213 20 20 SER N N 100.891 0.300 1 214 21 21 ASP H H 8.130 0.020 1 215 21 21 ASP HA H 4.684 0.020 1 216 21 21 ASP HB2 H 2.522 0.020 2 217 21 21 ASP HB3 H 2.933 0.020 2 218 21 21 ASP CA C 55.984 0.300 1 219 21 21 ASP CB C 40.968 0.300 1 220 21 21 ASP N N 121.645 0.300 1 221 22 22 THR H H 7.970 0.020 1 222 22 22 THR HA H 5.233 0.020 1 223 22 22 THR HB H 4.827 0.020 1 224 22 22 THR HG2 H 1.265 0.020 1 225 22 22 THR CA C 59.785 0.300 1 226 22 22 THR CB C 71.318 0.300 1 227 22 22 THR CG2 C 22.282 0.300 1 228 22 22 THR N N 106.661 0.300 1 229 23 23 ILE H H 8.615 0.020 1 230 23 23 ILE HA H 3.659 0.020 1 231 23 23 ILE HB H 2.588 0.020 1 232 23 23 ILE HD1 H 0.572 0.020 1 233 23 23 ILE HG12 H 1.307 0.020 2 234 23 23 ILE HG13 H 1.919 0.020 2 235 23 23 ILE HG2 H 0.789 0.020 1 236 23 23 ILE CA C 62.371 0.300 1 237 23 23 ILE CB C 34.443 0.300 1 238 23 23 ILE CD1 C 9.405 0.300 1 239 23 23 ILE CG1 C 27.872 0.300 1 240 23 23 ILE CG2 C 18.100 0.300 1 241 23 23 ILE N N 119.251 0.300 1 242 24 24 GLU H H 9.926 0.020 1 243 24 24 GLU HA H 3.883 0.020 1 244 24 24 GLU HB2 H 2.056 0.020 2 245 24 24 GLU HB3 H 2.056 0.020 2 246 24 24 GLU HG2 H 2.302 0.020 2 247 24 24 GLU HG3 H 2.358 0.020 2 248 24 24 GLU CA C 60.641 0.300 1 249 24 24 GLU CB C 29.081 0.300 1 250 24 24 GLU CG C 36.072 0.300 1 251 25 25 ASN H H 8.012 0.020 1 252 25 25 ASN HA H 4.555 0.020 1 253 25 25 ASN HB2 H 2.865 0.020 2 254 25 25 ASN HB3 H 3.249 0.020 2 255 25 25 ASN HD21 H 6.984 0.020 2 256 25 25 ASN HD22 H 7.912 0.020 2 257 25 25 ASN CA C 56.113 0.300 1 258 25 25 ASN CB C 38.501 0.300 1 259 25 25 ASN N N 118.833 0.300 1 260 25 25 ASN ND2 N 107.579 0.300 1 261 26 26 VAL H H 8.215 0.020 1 262 26 26 VAL HA H 3.398 0.020 1 263 26 26 VAL HB H 2.349 0.020 1 264 26 26 VAL HG1 H 0.705 0.020 2 265 26 26 VAL HG2 H 0.994 0.020 2 266 26 26 VAL CA C 67.789 0.300 1 267 26 26 VAL CB C 30.869 0.300 1 268 26 26 VAL CG1 C 21.675 0.300 2 269 26 26 VAL CG2 C 23.807 0.300 2 270 26 26 VAL N N 119.989 0.300 1 271 27 27 LYS H H 8.594 0.020 1 272 27 27 LYS HA H 4.624 0.020 1 273 27 27 LYS HB2 H 1.439 0.020 2 274 27 27 LYS HB3 H 1.984 0.020 2 275 27 27 LYS HG2 H 1.595 0.020 2 276 27 27 LYS HG3 H 1.595 0.020 2 277 27 27 LYS CA C 59.274 0.300 1 278 27 27 LYS CB C 33.704 0.300 1 279 27 27 LYS CG C 27.683 0.300 1 280 27 27 LYS N N 116.786 0.300 1 281 28 28 ALA H H 8.047 0.020 1 282 28 28 ALA HA H 4.170 0.020 1 283 28 28 ALA HB H 1.636 0.020 1 284 28 28 ALA CA C 55.418 0.300 1 285 28 28 ALA CB C 17.900 0.300 1 286 28 28 ALA N N 121.171 0.300 1 287 29 29 LYS H H 7.982 0.020 1 288 29 29 LYS HA H 4.210 0.020 1 289 29 29 LYS HB2 H 1.936 0.020 2 290 29 29 LYS HB3 H 2.145 0.020 2 291 29 29 LYS HD2 H 1.456 0.020 2 292 29 29 LYS HD3 H 1.456 0.020 2 293 29 29 LYS HE2 H 2.973 0.020 2 294 29 29 LYS HE3 H 3.200 0.020 2 295 29 29 LYS HG2 H 1.608 0.020 2 296 29 29 LYS HG3 H 1.799 0.020 2 297 29 29 LYS CA C 59.914 0.300 1 298 29 29 LYS CB C 33.281 0.300 1 299 29 29 LYS CD C 30.408 0.300 1 300 29 29 LYS CE C 42.382 0.300 1 301 29 29 LYS CG C 26.644 0.300 1 302 29 29 LYS N N 118.155 0.300 1 303 30 30 ILE H H 8.356 0.020 1 304 30 30 ILE HA H 3.520 0.020 1 305 30 30 ILE HB H 2.352 0.020 1 306 30 30 ILE HD1 H 0.910 0.020 1 307 30 30 ILE HG12 H 2.018 0.020 2 308 30 30 ILE HG13 H 2.018 0.020 2 309 30 30 ILE HG2 H 0.701 0.020 1 310 30 30 ILE CA C 66.292 0.300 1 311 30 30 ILE CB C 36.738 0.300 1 312 30 30 ILE CD1 C 15.060 0.300 1 313 30 30 ILE CG1 C 31.712 0.300 1 314 30 30 ILE CG2 C 17.168 0.300 1 315 30 30 ILE N N 119.373 0.300 1 316 31 31 GLN H H 8.586 0.020 1 317 31 31 GLN HA H 3.852 0.020 1 318 31 31 GLN HB2 H 2.002 0.020 2 319 31 31 GLN HB3 H 2.523 0.020 2 320 31 31 GLN HE21 H 7.772 0.020 2 321 31 31 GLN HE22 H 6.915 0.020 2 322 31 31 GLN HG2 H 1.926 0.020 2 323 31 31 GLN HG3 H 2.286 0.020 2 324 31 31 GLN CA C 60.295 0.300 1 325 31 31 GLN CB C 27.823 0.300 1 326 31 31 GLN CG C 33.931 0.300 1 327 31 31 GLN N N 121.387 0.300 1 328 31 31 GLN NE2 N 108.215 0.300 1 329 32 32 ASP H H 8.198 0.020 1 330 32 32 ASP HA H 4.331 0.020 1 331 32 32 ASP HB2 H 2.758 0.020 2 332 32 32 ASP HB3 H 2.855 0.020 2 333 32 32 ASP CA C 57.574 0.300 1 334 32 32 ASP CB C 41.060 0.300 1 335 32 32 ASP N N 117.715 0.300 1 336 33 33 LYS H H 7.530 0.020 1 337 33 33 LYS HA H 4.300 0.020 1 338 33 33 LYS HB2 H 1.868 0.020 2 339 33 33 LYS HB3 H 2.009 0.020 2 340 33 33 LYS HD2 H 1.719 0.020 2 341 33 33 LYS HD3 H 1.719 0.020 2 342 33 33 LYS HE2 H 3.153 0.020 2 343 33 33 LYS HE3 H 3.193 0.020 2 344 33 33 LYS HG2 H 1.611 0.020 2 345 33 33 LYS HG3 H 1.702 0.020 2 346 33 33 LYS CA C 58.486 0.300 1 347 33 33 LYS CB C 34.204 0.300 1 348 33 33 LYS CD C 29.178 0.300 1 349 33 33 LYS CE C 42.291 0.300 1 350 33 33 LYS CG C 25.397 0.300 1 351 33 33 LYS N N 113.368 0.300 1 352 34 34 GLU H H 8.764 0.020 1 353 34 34 GLU HA H 4.578 0.020 1 354 34 34 GLU HB2 H 1.678 0.020 2 355 34 34 GLU HB3 H 2.290 0.020 2 356 34 34 GLU HG2 H 2.073 0.020 2 357 34 34 GLU HG3 H 2.187 0.020 2 358 34 34 GLU CA C 55.384 0.300 1 359 34 34 GLU CB C 33.374 0.300 1 360 34 34 GLU CG C 36.276 0.300 1 361 34 34 GLU N N 111.504 0.300 1 362 35 35 GLY H H 8.582 0.020 1 363 35 35 GLY HA2 H 3.926 0.020 2 364 35 35 GLY HA3 H 4.146 0.020 2 365 35 35 GLY CA C 46.055 0.300 1 366 35 35 GLY N N 106.743 0.300 1 367 36 36 ILE H H 6.174 0.020 1 368 36 36 ILE HA H 4.401 0.020 1 369 36 36 ILE HB H 1.402 0.020 1 370 36 36 ILE HD1 H 0.797 0.020 1 371 36 36 ILE HG12 H 1.098 0.020 2 372 36 36 ILE HG13 H 1.400 0.020 2 373 36 36 ILE HG2 H 0.956 0.020 1 374 36 36 ILE CA C 58.158 0.300 1 375 36 36 ILE CB C 40.780 0.300 1 376 36 36 ILE CD1 C 13.798 0.300 1 377 36 36 ILE CG1 C 27.046 0.300 1 378 36 36 ILE CG2 C 18.121 0.300 1 379 36 36 ILE N N 118.307 0.300 1 380 37 37 PRO HA H 4.637 0.020 1 381 37 37 PRO HB2 H 1.971 0.020 2 382 37 37 PRO HB3 H 2.429 0.020 2 383 37 37 PRO HD2 H 3.573 0.020 2 384 37 37 PRO HD3 H 4.232 0.020 2 385 37 37 PRO HG2 H 2.046 0.020 2 386 37 37 PRO HG3 H 2.134 0.020 2 387 37 37 PRO CA C 61.586 0.300 1 388 37 37 PRO CB C 32.001 0.300 1 389 37 37 PRO CD C 51.126 0.300 1 390 37 37 PRO CG C 28.269 0.300 1 391 38 38 PRO HA H 4.143 0.020 1 392 38 38 PRO HB2 H 2.040 0.020 2 393 38 38 PRO HB3 H 2.266 0.020 2 394 38 38 PRO HD2 H 3.766 0.020 2 395 38 38 PRO HD3 H 3.867 0.020 2 396 38 38 PRO HG2 H 1.625 0.020 2 397 38 38 PRO HG3 H 2.188 0.020 2 398 38 38 PRO CA C 66.218 0.300 1 399 38 38 PRO CB C 33.013 0.300 1 400 38 38 PRO CD C 51.275 0.300 1 401 38 38 PRO CG C 27.788 0.300 1 402 39 39 ASP H H 8.639 0.020 1 403 39 39 ASP HA H 4.400 0.020 1 404 39 39 ASP HB2 H 2.686 0.020 2 405 39 39 ASP HB3 H 2.789 0.020 2 406 39 39 ASP CA C 55.894 0.300 1 407 39 39 ASP CB C 39.767 0.300 1 408 39 39 ASP N N 111.450 0.300 1 409 40 40 GLN H H 7.852 0.020 1 410 40 40 GLN HA H 4.414 0.020 1 411 40 40 GLN HB2 H 1.871 0.020 2 412 40 40 GLN HB3 H 2.500 0.020 2 413 40 40 GLN HE21 H 6.836 0.020 2 414 40 40 GLN HE22 H 7.758 0.020 2 415 40 40 GLN HG2 H 2.435 0.020 2 416 40 40 GLN HG3 H 2.463 0.020 2 417 40 40 GLN CA C 55.681 0.300 1 418 40 40 GLN CB C 30.322 0.300 1 419 40 40 GLN CG C 34.551 0.300 1 420 40 40 GLN N N 114.558 0.300 1 421 40 40 GLN NE2 N 108.909 0.300 1 422 41 41 GLN H H 7.563 0.020 1 423 41 41 GLN HA H 4.087 0.020 1 424 41 41 GLN HB2 H 1.873 0.020 2 425 41 41 GLN HB3 H 1.971 0.020 2 426 41 41 GLN HE21 H 6.071 0.020 2 427 41 41 GLN HE22 H 6.568 0.020 2 428 41 41 GLN HG2 H 1.628 0.020 2 429 41 41 GLN HG3 H 1.643 0.020 2 430 41 41 GLN CA C 57.092 0.300 1 431 41 41 GLN CB C 31.411 0.300 1 432 41 41 GLN CG C 33.513 0.300 1 433 41 41 GLN N N 115.448 0.300 1 434 41 41 GLN NE2 N 102.037 0.300 1 435 42 42 ARG H H 8.225 0.020 1 436 42 42 ARG HA H 4.542 0.020 1 437 42 42 ARG HB2 H 1.622 0.020 2 438 42 42 ARG HB3 H 1.980 0.020 2 439 42 42 ARG HD2 H 2.972 0.020 2 440 42 42 ARG HD3 H 3.045 0.020 2 441 42 42 ARG HE H 6.726 0.020 1 442 42 42 ARG HG2 H 1.496 0.020 2 443 42 42 ARG HG3 H 1.538 0.020 2 444 42 42 ARG CA C 55.296 0.300 1 445 42 42 ARG CB C 31.750 0.300 1 446 42 42 ARG CD C 44.473 0.300 1 447 42 42 ARG CG C 26.144 0.300 1 448 42 42 ARG N N 119.379 0.300 1 449 42 42 ARG NE N 79.666 0.300 1 450 43 43 LEU H H 8.873 0.020 1 451 43 43 LEU HA H 5.412 0.020 1 452 43 43 LEU HB2 H 1.170 0.020 2 453 43 43 LEU HB3 H 1.550 0.020 2 454 43 43 LEU HD1 H 0.734 0.020 2 455 43 43 LEU HD2 H 0.771 0.020 2 456 43 43 LEU HG H 1.476 0.020 1 457 43 43 LEU CA C 53.112 0.300 1 458 43 43 LEU CB C 45.646 0.300 1 459 43 43 LEU CD1 C 26.106 0.300 2 460 43 43 LEU CD2 C 26.709 0.300 2 461 43 43 LEU CG C 27.197 0.300 1 462 43 43 LEU N N 121.496 0.300 1 463 44 44 ILE H H 9.237 0.020 1 464 44 44 ILE HA H 5.041 0.020 1 465 44 44 ILE HB H 1.750 0.020 1 466 44 44 ILE HD1 H 0.699 0.020 1 467 44 44 ILE HG12 H 0.975 0.020 2 468 44 44 ILE HG13 H 1.387 0.020 2 469 44 44 ILE HG2 H 0.739 0.020 1 470 44 44 ILE CA C 59.075 0.300 1 471 44 44 ILE CB C 41.872 0.300 1 472 44 44 ILE CD1 C 13.958 0.300 1 473 44 44 ILE CG1 C 28.653 0.300 1 474 44 44 ILE CG2 C 17.896 0.300 1 475 44 44 ILE N N 120.506 0.300 1 476 45 45 PHE H H 8.921 0.020 1 477 45 45 PHE HA H 5.204 0.020 1 478 45 45 PHE HB2 H 2.783 0.020 2 479 45 45 PHE HB3 H 3.118 0.020 2 480 45 45 PHE HD1 H 7.391 0.020 3 481 45 45 PHE HE1 H 7.557 0.020 3 482 45 45 PHE HD2 H 7.391 0.020 3 483 45 45 PHE HE2 H 7.557 0.020 3 484 45 45 PHE CA C 57.198 0.300 1 485 45 45 PHE CB C 44.133 0.300 1 486 45 45 PHE CD1 C 133.086 0.300 3 487 45 45 PHE CE1 C 132.960 0.300 3 488 45 45 PHE N N 122.959 0.300 1 489 46 46 ALA H H 8.878 0.020 1 490 46 46 ALA HA H 3.749 0.020 1 491 46 46 ALA HB H 0.926 0.020 1 492 46 46 ALA CA C 52.607 0.300 1 493 46 46 ALA CB C 16.764 0.300 1 494 46 46 ALA N N 130.406 0.300 1 495 47 47 GLY H H 8.659 0.020 1 496 47 47 GLY HA2 H 3.375 0.020 2 497 47 47 GLY HA3 H 4.150 0.020 2 498 47 47 GLY CA C 45.603 0.300 1 499 47 47 GLY N N 100.234 0.300 1 500 48 48 LYS H H 7.985 0.020 1 501 48 48 LYS HA H 4.687 0.020 1 502 48 48 LYS HB2 H 1.890 0.020 2 503 48 48 LYS HB3 H 1.890 0.020 2 504 48 48 LYS HD2 H 1.862 0.020 2 505 48 48 LYS HD3 H 1.885 0.020 2 506 48 48 LYS HE2 H 3.184 0.020 2 507 48 48 LYS HE3 H 3.184 0.020 2 508 48 48 LYS HG2 H 1.530 0.020 2 509 48 48 LYS HG3 H 1.530 0.020 2 510 48 48 LYS CA C 54.493 0.300 1 511 48 48 LYS CB C 34.912 0.300 1 512 48 48 LYS CD C 29.179 0.300 1 513 48 48 LYS CE C 42.439 0.300 1 514 48 48 LYS CG C 24.397 0.300 1 515 48 48 LYS N N 118.097 0.300 1 516 49 49 GLN H H 8.859 0.020 1 517 49 49 GLN HA H 4.593 0.020 1 518 49 49 GLN HB2 H 1.957 0.020 2 519 49 49 GLN HB3 H 2.047 0.020 2 520 49 49 GLN HE21 H 7.052 0.020 2 521 49 49 GLN HE22 H 7.848 0.020 2 522 49 49 GLN HG2 H 2.122 0.020 2 523 49 49 GLN HG3 H 2.283 0.020 2 524 49 49 GLN CA C 56.161 0.300 1 525 49 49 GLN CB C 29.257 0.300 1 526 49 49 GLN CG C 35.246 0.300 1 527 49 49 GLN N N 119.648 0.300 1 528 49 49 GLN NE2 N 110.691 0.300 1 529 50 50 LEU H H 8.661 0.020 1 530 50 50 LEU HA H 4.096 0.020 1 531 50 50 LEU HB2 H 1.064 0.020 2 532 50 50 LEU HB3 H 1.471 0.020 2 533 50 50 LEU HD1 H -0.175 0.020 2 534 50 50 LEU HD2 H 0.518 0.020 2 535 50 50 LEU HG H 1.498 0.020 1 536 50 50 LEU CA C 54.526 0.300 1 537 50 50 LEU CB C 41.690 0.300 1 538 50 50 LEU CD1 C 19.293 0.300 2 539 50 50 LEU CD2 C 25.900 0.300 2 540 50 50 LEU CG C 25.787 0.300 1 541 50 50 LEU N N 122.926 0.300 1 542 51 51 GLU H H 8.548 0.020 1 543 51 51 GLU HA H 4.493 0.020 1 544 51 51 GLU HB2 H 1.999 0.020 2 545 51 51 GLU HB3 H 2.230 0.020 2 546 51 51 GLU HG2 H 2.339 0.020 2 547 51 51 GLU HG3 H 2.442 0.020 2 548 51 51 GLU CA C 56.101 0.300 1 549 51 51 GLU CB C 32.082 0.300 1 550 51 51 GLU CG C 36.730 0.300 1 551 51 51 GLU N N 120.730 0.300 1 552 52 52 ASP H H 8.276 0.020 1 553 52 52 ASP HA H 4.390 0.020 1 554 52 52 ASP HB2 H 2.525 0.020 2 555 52 52 ASP HB3 H 2.625 0.020 2 556 52 52 ASP CA C 56.942 0.300 1 557 52 52 ASP CB C 40.892 0.300 1 558 52 52 ASP N N 118.257 0.300 1 559 53 53 GLY HA2 H 3.966 0.020 2 560 53 53 GLY HA3 H 4.132 0.020 2 561 53 53 GLY CA C 45.337 0.300 1 562 54 54 ARG H H 7.463 0.020 1 563 54 54 ARG HA H 4.699 0.020 1 564 54 54 ARG HB2 H 2.050 0.020 2 565 54 54 ARG HB3 H 2.202 0.020 2 566 54 54 ARG HD2 H 3.062 0.020 2 567 54 54 ARG HD3 H 3.132 0.020 2 568 54 54 ARG HE H 7.094 0.020 1 569 54 54 ARG HG2 H 1.615 0.020 2 570 54 54 ARG HG3 H 1.804 0.020 2 571 54 54 ARG CA C 54.470 0.300 1 572 54 54 ARG CB C 32.780 0.300 1 573 54 54 ARG CD C 42.969 0.300 1 574 54 54 ARG CG C 27.548 0.300 1 575 54 54 ARG N N 117.048 0.300 1 576 54 54 ARG NE N 82.541 0.300 1 577 55 55 THR H H 8.873 0.020 1 578 55 55 THR HA H 5.233 0.020 1 579 55 55 THR HB H 4.564 0.020 1 580 55 55 THR HG2 H 1.135 0.020 1 581 55 55 THR CA C 59.908 0.300 1 582 55 55 THR CB C 72.511 0.300 1 583 55 55 THR CG2 C 22.374 0.300 1 584 55 55 THR N N 106.342 0.300 1 585 56 56 LEU H H 8.228 0.020 1 586 56 56 LEU HA H 4.066 0.020 1 587 56 56 LEU HB2 H 1.208 0.020 2 588 56 56 LEU HB3 H 2.117 0.020 2 589 56 56 LEU HD1 H 0.624 0.020 2 590 56 56 LEU HD2 H 0.748 0.020 2 591 56 56 LEU HG H 1.724 0.020 1 592 56 56 LEU CA C 58.770 0.300 1 593 56 56 LEU CB C 40.185 0.300 1 594 56 56 LEU CD1 C 23.256 0.300 2 595 56 56 LEU CD2 C 26.915 0.300 2 596 56 56 LEU CG C 26.645 0.300 1 597 56 56 LEU N N 115.594 0.300 1 598 57 57 SER H H 8.535 0.020 1 599 57 57 SER HA H 4.244 0.020 1 600 57 57 SER HB2 H 3.753 0.020 2 601 57 57 SER HB3 H 3.850 0.020 2 602 57 57 SER CA C 61.254 0.300 1 603 57 57 SER CB C 62.563 0.300 1 604 57 57 SER N N 111.090 0.300 1 605 58 58 ASP H H 8.032 0.020 1 606 58 58 ASP HA H 4.278 0.020 1 607 58 58 ASP HB2 H 2.293 0.020 2 608 58 58 ASP HB3 H 3.039 0.020 2 609 58 58 ASP CA C 57.544 0.300 1 610 58 58 ASP CB C 40.408 0.300 1 611 58 58 ASP N N 122.305 0.300 1 612 59 59 TYR H H 7.302 0.020 1 613 59 59 TYR HA H 4.689 0.020 1 614 59 59 TYR HB2 H 2.537 0.020 2 615 59 59 TYR HB3 H 3.510 0.020 2 616 59 59 TYR HD1 H 7.264 0.020 3 617 59 59 TYR HD2 H 7.330 0.020 3 618 59 59 TYR HE1 H 6.907 0.020 3 619 59 59 TYR HE2 H 6.969 0.020 3 620 59 59 TYR CA C 58.460 0.300 1 621 59 59 TYR CB C 40.050 0.300 1 622 59 59 TYR CD1 C 134.265 0.300 3 623 59 59 TYR CD2 C 134.237 0.300 3 624 59 59 TYR CE1 C 119.320 0.300 3 625 59 59 TYR CE2 C 118.731 0.300 3 626 59 59 TYR N N 113.395 0.300 1 627 60 60 ASN H H 8.225 0.020 1 628 60 60 ASN HA H 4.366 0.020 1 629 60 60 ASN HB2 H 2.835 0.020 2 630 60 60 ASN HB3 H 3.340 0.020 2 631 60 60 ASN HD21 H 6.913 0.020 2 632 60 60 ASN HD22 H 7.670 0.020 2 633 60 60 ASN CA C 54.306 0.300 1 634 60 60 ASN CB C 37.424 0.300 1 635 60 60 ASN N N 113.519 0.300 1 636 60 60 ASN ND2 N 109.491 0.300 1 637 61 61 ILE H H 7.409 0.020 1 638 61 61 ILE HA H 3.357 0.020 1 639 61 61 ILE HB H 1.382 0.020 1 640 61 61 ILE HD1 H 0.456 0.020 1 641 61 61 ILE HG12 H -0.609 0.020 2 642 61 61 ILE HG13 H 1.109 0.020 2 643 61 61 ILE HG2 H 0.466 0.020 1 644 61 61 ILE CA C 62.785 0.300 1 645 61 61 ILE CB C 36.762 0.300 1 646 61 61 ILE CD1 C 14.968 0.300 1 647 61 61 ILE CG1 C 28.491 0.300 1 648 61 61 ILE CG2 C 17.524 0.300 1 649 61 61 ILE N N 116.885 0.300 1 650 62 62 GLN H H 7.692 0.020 1 651 62 62 GLN HA H 4.487 0.020 1 652 62 62 GLN HB2 H 1.876 0.020 2 653 62 62 GLN HB3 H 2.243 0.020 2 654 62 62 GLN HE21 H 6.909 0.020 2 655 62 62 GLN HE22 H 7.398 0.020 2 656 62 62 GLN HG2 H 2.279 0.020 2 657 62 62 GLN HG3 H 2.344 0.020 2 658 62 62 GLN CA C 53.647 0.300 1 659 62 62 GLN CB C 31.885 0.300 1 660 62 62 GLN CG C 33.412 0.300 1 661 62 62 GLN N N 122.653 0.300 1 662 62 62 GLN NE2 N 110.143 0.300 1 663 63 63 LYS H H 8.557 0.020 1 664 63 63 LYS HA H 3.957 0.020 1 665 63 63 LYS HB2 H 1.894 0.020 2 666 63 63 LYS HB3 H 2.052 0.020 2 667 63 63 LYS HD2 H 1.737 0.020 2 668 63 63 LYS HD3 H 1.737 0.020 2 669 63 63 LYS HE2 H 3.035 0.020 2 670 63 63 LYS HE3 H 3.035 0.020 2 671 63 63 LYS HG2 H 1.492 0.020 2 672 63 63 LYS HG3 H 1.492 0.020 2 673 63 63 LYS CA C 58.095 0.300 1 674 63 63 LYS CB C 32.674 0.300 1 675 63 63 LYS CD C 29.897 0.300 1 676 63 63 LYS CE C 42.144 0.300 1 677 63 63 LYS CG C 24.047 0.300 1 678 63 63 LYS N N 118.182 0.300 1 679 64 64 GLU H H 9.399 0.020 1 680 64 64 GLU HA H 3.362 0.020 1 681 64 64 GLU HB2 H 2.417 0.020 2 682 64 64 GLU HB3 H 2.556 0.020 2 683 64 64 GLU HG2 H 2.266 0.020 2 684 64 64 GLU HG3 H 2.266 0.020 2 685 64 64 GLU CA C 58.426 0.300 1 686 64 64 GLU CB C 26.052 0.300 1 687 64 64 GLU CG C 37.339 0.300 1 688 64 64 GLU N N 112.693 0.300 1 689 65 65 SER H H 7.805 0.020 1 690 65 65 SER HA H 4.617 0.020 1 691 65 65 SER HB2 H 3.647 0.020 2 692 65 65 SER HB3 H 3.920 0.020 2 693 65 65 SER CA C 61.207 0.300 1 694 65 65 SER CB C 65.097 0.300 1 695 65 65 SER N N 112.852 0.300 1 696 66 66 THR H H 8.789 0.020 1 697 66 66 THR HA H 5.338 0.020 1 698 66 66 THR HB H 4.034 0.020 1 699 66 66 THR HG2 H 0.940 0.020 1 700 66 66 THR CA C 62.546 0.300 1 701 66 66 THR CB C 70.479 0.300 1 702 66 66 THR CG2 C 21.584 0.300 1 703 66 66 THR N N 115.023 0.300 1 704 67 67 LEU H H 9.484 0.020 1 705 67 67 LEU HA H 5.118 0.020 1 706 67 67 LEU HB2 H 1.590 0.020 2 707 67 67 LEU HB3 H 1.727 0.020 2 708 67 67 LEU HD1 H 0.700 0.020 2 709 67 67 LEU HD2 H 0.652 0.020 2 710 67 67 LEU HG H 1.809 0.020 1 711 67 67 LEU CA C 54.344 0.300 1 712 67 67 LEU CB C 44.752 0.300 1 713 67 67 LEU CD1 C 24.943 0.300 2 714 67 67 LEU CD2 C 25.850 0.300 2 715 67 67 LEU CG C 30.017 0.300 1 716 67 67 LEU N N 125.996 0.300 1 717 68 68 HIS H H 9.170 0.020 1 718 68 68 HIS HA H 5.306 0.020 1 719 68 68 HIS HB2 H 2.675 0.020 2 720 68 68 HIS HB3 H 2.904 0.020 2 721 68 68 HIS HD2 H 6.773 0.020 1 722 68 68 HIS HE1 H 7.804 0.020 1 723 68 68 HIS CA C 57.403 0.300 1 724 68 68 HIS CB C 33.148 0.300 1 725 68 68 HIS CD2 C 118.079 0.300 1 726 68 68 HIS CE1 C 139.337 0.300 1 727 68 68 HIS N N 116.116 0.300 1 728 69 69 LEU H H 8.469 0.020 1 729 69 69 LEU HA H 5.292 0.020 1 730 69 69 LEU HB2 H 1.086 0.020 2 731 69 69 LEU HB3 H 1.522 0.020 2 732 69 69 LEU HD1 H 0.733 0.020 2 733 69 69 LEU HD2 H 0.822 0.020 2 734 69 69 LEU HG H 1.304 0.020 1 735 69 69 LEU CA C 53.483 0.300 1 736 69 69 LEU CB C 44.785 0.300 1 737 69 69 LEU CD1 C 26.312 0.300 2 738 69 69 LEU CD2 C 24.267 0.300 2 739 69 69 LEU CG C 27.803 0.300 1 740 69 69 LEU N N 120.990 0.300 1 741 70 70 VAL H H 9.205 0.020 1 742 70 70 VAL HA H 4.358 0.020 1 743 70 70 VAL HB H 1.930 0.020 1 744 70 70 VAL HG1 H 0.882 0.020 2 745 70 70 VAL HG2 H 1.001 0.020 2 746 70 70 VAL CA C 60.726 0.300 1 747 70 70 VAL CB C 35.019 0.300 1 748 70 70 VAL CG1 C 22.175 0.300 2 749 70 70 VAL CG2 C 22.238 0.300 2 750 70 70 VAL N N 125.119 0.300 1 751 71 71 LEU H H 8.651 0.020 1 752 71 71 LEU HA H 5.141 0.020 1 753 71 71 LEU HB2 H 1.565 0.020 2 754 71 71 LEU HB3 H 1.804 0.020 2 755 71 71 LEU HD1 H 0.861 0.020 2 756 71 71 LEU HD2 H 1.002 0.020 2 757 71 71 LEU HG H 1.753 0.020 1 758 71 71 LEU CA C 54.274 0.300 1 759 71 71 LEU CB C 42.284 0.300 1 760 71 71 LEU CD1 C 23.978 0.300 2 761 71 71 LEU CD2 C 25.305 0.300 2 762 71 71 LEU CG C 27.835 0.300 1 763 71 71 LEU N N 123.255 0.300 1 764 72 72 ARG H H 8.699 0.020 1 765 72 72 ARG HA H 4.324 0.020 1 766 72 72 ARG HB2 H 1.586 0.020 2 767 72 72 ARG HB3 H 1.807 0.020 2 768 72 72 ARG HD2 H 3.192 0.020 2 769 72 72 ARG HD3 H 3.192 0.020 2 770 72 72 ARG HE H 7.225 0.020 1 771 72 72 ARG HG2 H 1.514 0.020 2 772 72 72 ARG HG3 H 1.571 0.020 2 773 72 72 ARG CA C 56.374 0.300 1 774 72 72 ARG CB C 31.418 0.300 1 775 72 72 ARG CD C 42.407 0.300 1 776 72 72 ARG CG C 27.706 0.300 1 777 72 72 ARG N N 120.082 0.300 1 778 72 72 ARG NE N 81.541 0.300 1 779 73 73 LEU H H 8.641 0.020 1 780 73 73 LEU HA H 4.359 0.020 1 781 73 73 LEU HB2 H 1.556 0.020 2 782 73 73 LEU HB3 H 1.655 0.020 2 783 73 73 LEU HD1 H 0.863 0.020 2 784 73 73 LEU HD2 H 0.899 0.020 2 785 73 73 LEU HG H 1.637 0.020 1 786 73 73 LEU CA C 55.156 0.300 1 787 73 73 LEU CB C 42.286 0.300 1 788 73 73 LEU CD1 C 23.621 0.300 2 789 73 73 LEU CD2 C 25.394 0.300 2 790 73 73 LEU CG C 27.186 0.300 1 791 73 73 LEU N N 122.089 0.300 1 792 74 74 ARG H H 8.595 0.020 1 793 74 74 ARG HA H 4.325 0.020 1 794 74 74 ARG HB2 H 1.800 0.020 2 795 74 74 ARG HB3 H 1.882 0.020 2 796 74 74 ARG HD2 H 3.207 0.020 2 797 74 74 ARG HD3 H 3.207 0.020 2 798 74 74 ARG HE H 7.405 0.020 1 799 74 74 ARG HG2 H 1.614 0.020 2 800 74 74 ARG HG3 H 1.644 0.020 2 801 74 74 ARG CA C 56.608 0.300 1 802 74 74 ARG CB C 30.986 0.300 1 803 74 74 ARG CD C 43.414 0.300 1 804 74 74 ARG CG C 27.116 0.300 1 805 74 74 ARG N N 119.491 0.300 1 806 74 74 ARG NE N 82.059 0.300 1 807 75 75 GLY H H 8.591 0.020 1 808 75 75 GLY HA2 H 3.971 0.020 2 809 75 75 GLY HA3 H 4.313 0.020 2 810 75 75 GLY CA C 45.320 0.300 1 811 75 75 GLY N N 108.449 0.300 1 812 76 76 GLY H H 8.068 0.020 1 813 76 76 GLY HA2 H 3.753 0.020 2 814 76 76 GLY HA3 H 3.801 0.020 2 815 76 76 GLY CA C 46.228 0.300 1 816 76 76 GLY N N 112.796 0.300 1 stop_ save_