data_16885 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of UBM1 of murine Polymerase iota in Complex with Ubiquitin ; _BMRB_accession_number 16885 _BMRB_flat_file_name bmr16885.str _Entry_type original _Submission_date 2010-04-20 _Accession_date 2010-04-20 _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" 759 "13C chemical shifts" 423 "15N chemical shifts" 131 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 16880 'Solution Structure of UBM2' 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 . loop_ _Keyword TLS UBM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBM1-Ubiquitin complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBM1 $DNA_polymerase_iota_UBM1 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_UBM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DNA_polymerase_iota_UBM1 _Molecular_mass 5125.6 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 48 _Mol_residue_sequence ; GSDTSDLPLQALPEGVDQEV FKQLPADIQEEILSGKSREN LKGKGSLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 485 GLY 2 486 SER 3 487 ASP 4 488 THR 5 489 SER 6 490 ASP 7 491 LEU 8 492 PRO 9 493 LEU 10 494 GLN 11 495 ALA 12 496 LEU 13 497 PRO 14 498 GLU 15 499 GLY 16 500 VAL 17 501 ASP 18 502 GLN 19 503 GLU 20 504 VAL 21 505 PHE 22 506 LYS 23 507 GLN 24 508 LEU 25 509 PRO 26 510 ALA 27 511 ASP 28 512 ILE 29 513 GLN 30 514 GLU 31 515 GLU 32 516 ILE 33 517 LEU 34 518 SER 35 519 GLY 36 520 LYS 37 521 SER 38 522 ARG 39 523 GLU 40 524 ASN 41 525 LEU 42 526 LYS 43 527 GLY 44 528 LYS 45 529 GLY 46 530 SER 47 531 LEU 48 532 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 100.00 48 100.00 100.00 1.32e-23 DBJ BAC25154 "unnamed protein product [Mus musculus]" 93.75 254 100.00 100.00 2.58e-20 DBJ BAE26322 "unnamed protein product [Mus musculus]" 95.83 717 97.83 97.83 3.89e-19 DBJ BAE32662 "unnamed protein product [Mus musculus]" 95.83 549 97.83 97.83 1.07e-19 GB AAD50424 "DNA polymerase iota [Mus musculus]" 95.83 717 100.00 100.00 3.52e-20 GB AAH82278 "Poli protein [Mus musculus]" 95.83 674 100.00 100.00 3.66e-20 GB AAS75834 "DNA polymerase iota [Mus musculus]" 95.83 717 97.83 97.83 1.60e-19 GB AAS75835 "DNA polymerase iota [Mus musculus]" 95.83 717 97.83 97.83 3.93e-19 GB AEQ34091 "DNA polymerase iota [Mus musculus]" 95.83 737 97.83 97.83 1.62e-19 REF NP_001129562 "DNA polymerase iota isoform 1 [Mus musculus]" 95.83 674 100.00 100.00 3.66e-20 REF NP_001276444 "DNA polymerase iota isoform 3 [Mus musculus]" 95.83 549 100.00 100.00 2.35e-20 REF NP_001276445 "DNA polymerase iota isoform 4 [Mus musculus]" 95.83 651 100.00 100.00 2.99e-20 REF NP_036102 "DNA polymerase iota isoform 2 [Mus musculus]" 95.83 737 100.00 100.00 3.75e-20 REF XP_006526008 "PREDICTED: DNA polymerase iota isoform X3 [Mus musculus]" 95.83 736 100.00 100.00 3.75e-20 SP Q6R3M4 "RecName: Full=DNA polymerase iota; AltName: Full=Rad30 homolog B" 95.83 717 97.83 97.83 1.60e-19 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 16880 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_UBM1 'House mouse' 10013 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_UBM1 'recombinant technology' . Escherichia coli 'BL21 Star DE3' pGEX-4T-2 $Ubiquitin 'recombinant technology' . Escherichia coli 'BL21 Star DE3' pET-19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15NUBM1+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_UBM1 . 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' H2O 5 % . . 'natural abundance' stop_ save_ save_13C15NUBM1+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_UBM1 . 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' H2O 5 % . . 'natural abundance' stop_ save_ save_15NUbi+ubm1 _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_UBM1 . mM 1 2 'natural abundance' $Ubiquitin . mM 4 8 '[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' H2O 5 % . . 'natural abundance' stop_ save_ save_13C15NUbi+ubm1 _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_UBM1 . 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' H2O 5 % . . 'natural abundance' stop_ save_ save_labUbi-overUBM1 _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_UBM1 . 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' H2O 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 $13C15NUBM1+ub save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15NUBM1+ub save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15NUBM1+ub save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15NUBM1+ub save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15NUBM1+ub save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NUBM1+ub save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15NUBM1+ub save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15NUbi+ubm1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15NUbi+ubm1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15NUbi+ubm1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15NUbi+ubm1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15NUbi+ubm1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NUbi+ubm1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15NUbi+ubm1 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 $13C15NUBM1+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+ubm1 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-overUBM1 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_UBM1_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 $13C15NUBM1+ub $15NUBM1+ub $13C15NUbi+ubm1 $15NUbi+ubm1 stop_ _Sample_conditions_label $Sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBM1 _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 1 485 1 GLY HA2 H 3.915 0.020 2 2 485 1 GLY HA3 H 3.931 0.020 2 3 485 1 GLY CA C 43.403 0.300 1 4 486 2 SER H H 8.809 0.020 1 5 486 2 SER HA H 4.532 0.020 1 6 486 2 SER HB2 H 3.906 0.020 2 7 486 2 SER HB3 H 3.906 0.020 2 8 486 2 SER CA C 58.447 0.300 1 9 486 2 SER CB C 63.801 0.300 1 10 486 2 SER N N 113.768 0.300 1 11 487 3 ASP H H 8.686 0.020 1 12 487 3 ASP HA H 4.699 0.020 1 13 487 3 ASP HB2 H 2.699 0.020 2 14 487 3 ASP HB3 H 2.759 0.020 2 15 487 3 ASP CA C 54.455 0.300 1 16 487 3 ASP CB C 41.052 0.300 1 17 487 3 ASP N N 120.187 0.300 1 18 488 4 THR H H 8.204 0.020 1 19 488 4 THR HA H 4.391 0.020 1 20 488 4 THR HB H 4.331 0.020 1 21 488 4 THR HG2 H 1.210 0.020 1 22 488 4 THR CA C 61.810 0.300 1 23 488 4 THR CB C 69.578 0.300 1 24 488 4 THR CG2 C 21.576 0.300 1 25 488 4 THR N N 111.886 0.300 1 26 489 5 SER H H 8.401 0.020 1 27 489 5 SER HA H 4.434 0.020 1 28 489 5 SER HB2 H 3.877 0.020 2 29 489 5 SER HB3 H 3.905 0.020 2 30 489 5 SER CA C 58.784 0.300 1 31 489 5 SER CB C 63.780 0.300 1 32 489 5 SER N N 115.891 0.300 1 33 490 6 ASP H H 8.386 0.020 1 34 490 6 ASP HA H 4.637 0.020 1 35 490 6 ASP HB2 H 2.585 0.020 2 36 490 6 ASP HB3 H 2.697 0.020 2 37 490 6 ASP CA C 54.224 0.300 1 38 490 6 ASP CB C 40.977 0.300 1 39 490 6 ASP N N 120.145 0.300 1 40 491 7 LEU H H 8.117 0.020 1 41 491 7 LEU HA H 4.574 0.020 1 42 491 7 LEU HB2 H 1.515 0.020 2 43 491 7 LEU HB3 H 1.624 0.020 2 44 491 7 LEU HD1 H 0.909 0.020 2 45 491 7 LEU HD2 H 0.942 0.020 2 46 491 7 LEU HG H 1.672 0.020 1 47 491 7 LEU CA C 53.305 0.300 1 48 491 7 LEU CB C 41.689 0.300 1 49 491 7 LEU CD1 C 23.463 0.300 2 50 491 7 LEU CD2 C 25.280 0.300 2 51 491 7 LEU CG C 27.015 0.300 1 52 491 7 LEU N N 121.099 0.300 1 53 492 8 PRO HA H 4.446 0.020 1 54 492 8 PRO HB2 H 1.899 0.020 2 55 492 8 PRO HB3 H 2.264 0.020 2 56 492 8 PRO HD2 H 3.603 0.020 2 57 492 8 PRO HD3 H 3.830 0.020 2 58 492 8 PRO HG2 H 2.018 0.020 2 59 492 8 PRO HG3 H 2.018 0.020 2 60 492 8 PRO CA C 62.876 0.300 1 61 492 8 PRO CB C 31.768 0.300 1 62 492 8 PRO CD C 50.480 0.300 1 63 492 8 PRO CG C 27.475 0.300 1 64 493 9 LEU H H 8.337 0.020 1 65 493 9 LEU HA H 4.198 0.020 1 66 493 9 LEU HB2 H 1.540 0.020 2 67 493 9 LEU HB3 H 1.634 0.020 2 68 493 9 LEU HD1 H 0.875 0.020 2 69 493 9 LEU HD2 H 0.939 0.020 2 70 493 9 LEU HG H 1.663 0.020 1 71 493 9 LEU CA C 55.513 0.300 1 72 493 9 LEU CB C 42.070 0.300 1 73 493 9 LEU CD1 C 23.712 0.300 2 74 493 9 LEU CD2 C 25.009 0.300 2 75 493 9 LEU CG C 26.973 0.300 1 76 493 9 LEU N N 119.929 0.300 1 77 494 10 GLN H H 8.351 0.020 1 78 494 10 GLN HA H 4.250 0.020 1 79 494 10 GLN HB2 H 1.959 0.020 2 80 494 10 GLN HB3 H 2.036 0.020 2 81 494 10 GLN HE21 H 6.963 0.020 2 82 494 10 GLN HE22 H 7.635 0.020 2 83 494 10 GLN HG2 H 2.320 0.020 2 84 494 10 GLN HG3 H 2.320 0.020 2 85 494 10 GLN CA C 55.754 0.300 1 86 494 10 GLN CB C 29.478 0.300 1 87 494 10 GLN CG C 33.847 0.300 1 88 494 10 GLN N N 118.477 0.300 1 89 494 10 GLN NE2 N 110.598 0.300 1 90 495 11 ALA H H 8.188 0.020 1 91 495 11 ALA HA H 4.264 0.020 1 92 495 11 ALA HB H 1.316 0.020 1 93 495 11 ALA CA C 51.934 0.300 1 94 495 11 ALA CB C 19.309 0.300 1 95 495 11 ALA N N 122.523 0.300 1 96 496 12 LEU H H 8.028 0.020 1 97 496 12 LEU HA H 4.279 0.020 1 98 496 12 LEU HB2 H 1.103 0.020 2 99 496 12 LEU HB3 H 1.484 0.020 2 100 496 12 LEU HD1 H 0.128 0.020 2 101 496 12 LEU HD2 H 0.425 0.020 2 102 496 12 LEU HG H 1.376 0.020 1 103 496 12 LEU CA C 52.491 0.300 1 104 496 12 LEU CB C 41.709 0.300 1 105 496 12 LEU CD1 C 22.883 0.300 2 106 496 12 LEU CD2 C 25.067 0.300 2 107 496 12 LEU CG C 26.497 0.300 1 108 496 12 LEU N N 119.385 0.300 1 109 497 13 PRO HA H 4.360 0.020 1 110 497 13 PRO HB2 H 1.759 0.020 2 111 497 13 PRO HB3 H 2.331 0.020 2 112 497 13 PRO HD2 H 3.050 0.020 2 113 497 13 PRO HD3 H 3.694 0.020 2 114 497 13 PRO HG2 H 1.926 0.020 2 115 497 13 PRO HG3 H 1.967 0.020 2 116 497 13 PRO CA C 62.509 0.300 1 117 497 13 PRO CB C 31.922 0.300 1 118 497 13 PRO CD C 50.337 0.300 1 119 497 13 PRO CG C 27.651 0.300 1 120 498 14 GLU H H 8.585 0.020 1 121 498 14 GLU HA H 4.022 0.020 1 122 498 14 GLU HB2 H 1.965 0.020 2 123 498 14 GLU HB3 H 1.965 0.020 2 124 498 14 GLU HG2 H 2.280 0.020 2 125 498 14 GLU HG3 H 2.310 0.020 2 126 498 14 GLU CA C 57.813 0.300 1 127 498 14 GLU CB C 29.678 0.300 1 128 498 14 GLU CG C 36.086 0.300 1 129 498 14 GLU N N 120.123 0.300 1 130 499 15 GLY H H 8.741 0.020 1 131 499 15 GLY HA2 H 3.706 0.020 2 132 499 15 GLY HA3 H 4.115 0.020 2 133 499 15 GLY CA C 45.242 0.300 1 134 499 15 GLY N N 109.183 0.300 1 135 500 16 VAL H H 7.260 0.020 1 136 500 16 VAL HA H 3.909 0.020 1 137 500 16 VAL HB H 1.923 0.020 1 138 500 16 VAL HG1 H 0.806 0.020 2 139 500 16 VAL HG2 H 0.868 0.020 2 140 500 16 VAL CA C 62.173 0.300 1 141 500 16 VAL CB C 32.336 0.300 1 142 500 16 VAL CG1 C 22.777 0.300 2 143 500 16 VAL CG2 C 21.947 0.300 2 144 500 16 VAL N N 116.463 0.300 1 145 501 17 ASP H H 8.791 0.020 1 146 501 17 ASP HA H 4.548 0.020 1 147 501 17 ASP HB2 H 2.332 0.020 2 148 501 17 ASP HB3 H 2.702 0.020 2 149 501 17 ASP CA C 54.014 0.300 1 150 501 17 ASP CB C 42.129 0.300 1 151 501 17 ASP N N 125.810 0.300 1 152 502 18 GLN H H 9.096 0.020 1 153 502 18 GLN HA H 3.840 0.020 1 154 502 18 GLN HB2 H 2.119 0.020 2 155 502 18 GLN HB3 H 2.119 0.020 2 156 502 18 GLN HE21 H 6.884 0.020 2 157 502 18 GLN HE22 H 7.636 0.020 2 158 502 18 GLN HG2 H 2.384 0.020 2 159 502 18 GLN HG3 H 2.448 0.020 2 160 502 18 GLN CA C 59.324 0.300 1 161 502 18 GLN CB C 28.519 0.300 1 162 502 18 GLN CG C 33.849 0.300 1 163 502 18 GLN N N 125.654 0.300 1 164 502 18 GLN NE2 N 109.488 0.300 1 165 503 19 GLU H H 8.253 0.020 1 166 503 19 GLU HA H 4.054 0.020 1 167 503 19 GLU HB2 H 2.131 0.020 2 168 503 19 GLU HB3 H 2.131 0.020 2 169 503 19 GLU HG2 H 2.252 0.020 2 170 503 19 GLU HG3 H 2.371 0.020 2 171 503 19 GLU CA C 58.798 0.300 1 172 503 19 GLU CB C 28.881 0.300 1 173 503 19 GLU CG C 36.348 0.300 1 174 503 19 GLU N N 116.428 0.300 1 175 504 20 VAL H H 7.851 0.020 1 176 504 20 VAL HA H 3.283 0.020 1 177 504 20 VAL HB H 2.160 0.020 1 178 504 20 VAL HG1 H 0.701 0.020 2 179 504 20 VAL HG2 H 1.057 0.020 2 180 504 20 VAL CA C 66.212 0.300 1 181 504 20 VAL CB C 31.857 0.300 1 182 504 20 VAL CG1 C 20.675 0.300 2 183 504 20 VAL CG2 C 22.175 0.300 2 184 504 20 VAL N N 118.218 0.300 1 185 505 21 PHE H H 8.299 0.020 1 186 505 21 PHE HA H 3.689 0.020 1 187 505 21 PHE HB2 H 2.897 0.020 2 188 505 21 PHE HB3 H 3.083 0.020 2 189 505 21 PHE HD1 H 6.994 0.020 3 190 505 21 PHE HD2 H 6.994 0.020 3 191 505 21 PHE HE1 H 7.307 0.020 3 192 505 21 PHE HE2 H 7.307 0.020 3 193 505 21 PHE HZ H 7.218 0.020 1 194 505 21 PHE CA C 62.072 0.300 1 195 505 21 PHE CB C 40.131 0.300 1 196 505 21 PHE CD1 C 131.515 0.300 3 197 505 21 PHE CE1 C 131.476 0.300 3 198 505 21 PHE CZ C 129.878 0.300 1 199 505 21 PHE N N 115.860 0.300 1 200 506 22 LYS H H 7.666 0.020 1 201 506 22 LYS HA H 3.807 0.020 1 202 506 22 LYS HB2 H 1.918 0.020 2 203 506 22 LYS HB3 H 1.936 0.020 2 204 506 22 LYS HD2 H 1.719 0.020 2 205 506 22 LYS HD3 H 1.749 0.020 2 206 506 22 LYS HE2 H 2.971 0.020 2 207 506 22 LYS HE3 H 2.971 0.020 2 208 506 22 LYS HG2 H 1.638 0.020 2 209 506 22 LYS HG3 H 1.720 0.020 2 210 506 22 LYS CA C 58.342 0.300 1 211 506 22 LYS CB C 32.795 0.300 1 212 506 22 LYS CD C 29.613 0.300 1 213 506 22 LYS CE C 41.996 0.300 1 214 506 22 LYS CG C 25.465 0.300 1 215 506 22 LYS N N 111.612 0.300 1 216 507 23 GLN H H 7.515 0.020 1 217 507 23 GLN HA H 4.224 0.020 1 218 507 23 GLN HB2 H 1.564 0.020 2 219 507 23 GLN HB3 H 2.178 0.020 2 220 507 23 GLN HE21 H 6.898 0.020 2 221 507 23 GLN HE22 H 7.498 0.020 2 222 507 23 GLN HG2 H 2.282 0.020 2 223 507 23 GLN HG3 H 2.391 0.020 2 224 507 23 GLN CA C 55.021 0.300 1 225 507 23 GLN CB C 29.199 0.300 1 226 507 23 GLN CG C 33.919 0.300 1 227 507 23 GLN N N 113.708 0.300 1 228 507 23 GLN NE2 N 110.799 0.300 1 229 508 24 LEU H H 7.056 0.020 1 230 508 24 LEU HA H 4.326 0.020 1 231 508 24 LEU HB2 H 0.938 0.020 2 232 508 24 LEU HB3 H 1.493 0.020 2 233 508 24 LEU HD1 H 0.462 0.020 2 234 508 24 LEU HD2 H 0.640 0.020 2 235 508 24 LEU HG H 1.955 0.020 1 236 508 24 LEU CA C 52.345 0.300 1 237 508 24 LEU CB C 40.658 0.300 1 238 508 24 LEU CD1 C 21.779 0.300 2 239 508 24 LEU CD2 C 26.646 0.300 2 240 508 24 LEU CG C 24.887 0.300 1 241 508 24 LEU N N 117.311 0.300 1 242 509 25 PRO HA H 4.438 0.020 1 243 509 25 PRO HB2 H 2.149 0.020 2 244 509 25 PRO HB3 H 2.565 0.020 2 245 509 25 PRO HD2 H 3.260 0.020 2 246 509 25 PRO HD3 H 3.556 0.020 2 247 509 25 PRO HG2 H 1.968 0.020 2 248 509 25 PRO HG3 H 1.968 0.020 2 249 509 25 PRO CA C 62.082 0.300 1 250 509 25 PRO CB C 32.424 0.300 1 251 509 25 PRO CD C 50.165 0.300 1 252 509 25 PRO CG C 27.834 0.300 1 253 510 26 ALA H H 8.883 0.020 1 254 510 26 ALA HA H 4.018 0.020 1 255 510 26 ALA HB H 1.462 0.020 1 256 510 26 ALA CA C 55.372 0.300 1 257 510 26 ALA CB C 18.603 0.300 1 258 510 26 ALA N N 123.111 0.300 1 259 511 27 ASP H H 8.903 0.020 1 260 511 27 ASP HA H 4.337 0.020 1 261 511 27 ASP HB2 H 2.587 0.020 2 262 511 27 ASP HB3 H 2.751 0.020 2 263 511 27 ASP CA C 56.406 0.300 1 264 511 27 ASP CB C 38.708 0.300 1 265 511 27 ASP N N 112.752 0.300 1 266 512 28 ILE H H 7.198 0.020 1 267 512 28 ILE HA H 3.805 0.020 1 268 512 28 ILE HB H 1.670 0.020 1 269 512 28 ILE HD1 H 0.699 0.020 1 270 512 28 ILE HG12 H 1.042 0.020 2 271 512 28 ILE HG13 H 1.613 0.020 2 272 512 28 ILE HG2 H 0.900 0.020 1 273 512 28 ILE CA C 63.944 0.300 1 274 512 28 ILE CB C 37.257 0.300 1 275 512 28 ILE CD1 C 12.319 0.300 1 276 512 28 ILE CG1 C 28.603 0.300 1 277 512 28 ILE CG2 C 18.575 0.300 1 278 512 28 ILE N N 120.535 0.300 1 279 513 29 GLN H H 8.139 0.020 1 280 513 29 GLN HA H 3.632 0.020 1 281 513 29 GLN HB2 H 1.747 0.020 2 282 513 29 GLN HB3 H 2.196 0.020 2 283 513 29 GLN HE21 H 6.472 0.020 2 284 513 29 GLN HE22 H 6.911 0.020 2 285 513 29 GLN HG2 H 0.703 0.020 2 286 513 29 GLN HG3 H 1.934 0.020 2 287 513 29 GLN CA C 59.959 0.300 1 288 513 29 GLN CB C 27.872 0.300 1 289 513 29 GLN CG C 33.336 0.300 1 290 513 29 GLN N N 116.944 0.300 1 291 513 29 GLN NE2 N 109.696 0.300 1 292 514 30 GLU H H 8.002 0.020 1 293 514 30 GLU HA H 4.050 0.020 1 294 514 30 GLU HB2 H 2.093 0.020 2 295 514 30 GLU HB3 H 2.120 0.020 2 296 514 30 GLU HG2 H 2.311 0.020 2 297 514 30 GLU HG3 H 2.401 0.020 2 298 514 30 GLU CA C 59.264 0.300 1 299 514 30 GLU CB C 29.228 0.300 1 300 514 30 GLU CG C 35.954 0.300 1 301 514 30 GLU N N 114.113 0.300 1 302 515 31 GLU H H 7.646 0.020 1 303 515 31 GLU HA H 4.011 0.020 1 304 515 31 GLU HB2 H 2.154 0.020 2 305 515 31 GLU HB3 H 2.406 0.020 2 306 515 31 GLU HG2 H 2.156 0.020 2 307 515 31 GLU HG3 H 2.562 0.020 2 308 515 31 GLU CA C 59.423 0.300 1 309 515 31 GLU CB C 30.196 0.300 1 310 515 31 GLU CG C 35.997 0.300 1 311 515 31 GLU N N 119.382 0.300 1 312 516 32 ILE H H 8.173 0.020 1 313 516 32 ILE HA H 3.816 0.020 1 314 516 32 ILE HB H 2.224 0.020 1 315 516 32 ILE HD1 H 0.903 0.020 1 316 516 32 ILE HG12 H 1.255 0.020 2 317 516 32 ILE HG13 H 1.865 0.020 2 318 516 32 ILE HG2 H 0.957 0.020 1 319 516 32 ILE CA C 64.241 0.300 1 320 516 32 ILE CB C 38.442 0.300 1 321 516 32 ILE CD1 C 15.623 0.300 1 322 516 32 ILE CG1 C 28.897 0.300 1 323 516 32 ILE CG2 C 17.454 0.300 1 324 516 32 ILE N N 117.774 0.300 1 325 517 33 LEU H H 8.383 0.020 1 326 517 33 LEU HA H 4.090 0.020 1 327 517 33 LEU HB2 H 1.563 0.020 2 328 517 33 LEU HB3 H 1.930 0.020 2 329 517 33 LEU HD1 H 0.735 0.020 2 330 517 33 LEU HD2 H 0.970 0.020 2 331 517 33 LEU HG H 1.984 0.020 1 332 517 33 LEU CA C 57.271 0.300 1 333 517 33 LEU CB C 41.842 0.300 1 334 517 33 LEU CD1 C 22.657 0.300 2 335 517 33 LEU CD2 C 25.590 0.300 2 336 517 33 LEU CG C 26.813 0.300 1 337 517 33 LEU N N 116.633 0.300 1 338 518 34 SER H H 8.190 0.020 1 339 518 34 SER HA H 4.448 0.020 1 340 518 34 SER HB2 H 4.043 0.020 2 341 518 34 SER HB3 H 4.043 0.020 2 342 518 34 SER CA C 59.639 0.300 1 343 518 34 SER CB C 64.100 0.300 1 344 518 34 SER N N 110.734 0.300 1 345 519 35 GLY H H 8.007 0.020 1 346 519 35 GLY HA2 H 3.965 0.020 2 347 519 35 GLY HA3 H 4.083 0.020 2 348 519 35 GLY CA C 46.182 0.300 1 349 519 35 GLY N N 108.167 0.300 1 350 520 36 LYS H H 8.083 0.020 1 351 520 36 LYS HA H 4.366 0.020 1 352 520 36 LYS HB2 H 1.718 0.020 2 353 520 36 LYS HB3 H 1.891 0.020 2 354 520 36 LYS HD2 H 1.650 0.020 2 355 520 36 LYS HD3 H 1.675 0.020 2 356 520 36 LYS HE2 H 2.980 0.020 2 357 520 36 LYS HE3 H 2.980 0.020 2 358 520 36 LYS HG2 H 1.416 0.020 2 359 520 36 LYS HG3 H 1.448 0.020 2 360 520 36 LYS CA C 56.428 0.300 1 361 520 36 LYS CB C 33.415 0.300 1 362 520 36 LYS CD C 29.051 0.300 1 363 520 36 LYS CE C 42.147 0.300 1 364 520 36 LYS CG C 24.823 0.300 1 365 520 36 LYS N N 117.662 0.300 1 366 521 37 SER H H 8.204 0.020 1 367 521 37 SER HA H 4.398 0.020 1 368 521 37 SER HB2 H 3.873 0.020 2 369 521 37 SER HB3 H 3.905 0.020 2 370 521 37 SER CA C 58.795 0.300 1 371 521 37 SER CB C 63.585 0.300 1 372 521 37 SER N N 113.150 0.300 1 373 522 38 ARG H H 8.526 0.020 1 374 522 38 ARG HA H 4.285 0.020 1 375 522 38 ARG HB2 H 1.796 0.020 2 376 522 38 ARG HB3 H 1.901 0.020 2 377 522 38 ARG HD2 H 3.227 0.020 2 378 522 38 ARG HD3 H 3.227 0.020 2 379 522 38 ARG HE H 7.357 0.020 1 380 522 38 ARG HG2 H 1.653 0.020 2 381 522 38 ARG HG3 H 1.697 0.020 2 382 522 38 ARG CA C 56.688 0.300 1 383 522 38 ARG CB C 30.708 0.300 1 384 522 38 ARG CD C 43.436 0.300 1 385 522 38 ARG CG C 27.364 0.300 1 386 522 38 ARG N N 121.095 0.300 1 387 522 38 ARG NE N 82.229 0.300 1 388 523 39 GLU H H 8.763 0.020 1 389 523 39 GLU HA H 4.138 0.020 1 390 523 39 GLU HB2 H 1.940 0.020 2 391 523 39 GLU HB3 H 1.978 0.020 2 392 523 39 GLU HG2 H 2.314 0.020 2 393 523 39 GLU HG3 H 2.314 0.020 2 394 523 39 GLU CA C 57.519 0.300 1 395 523 39 GLU CB C 30.014 0.300 1 396 523 39 GLU CG C 36.597 0.300 1 397 523 39 GLU N N 118.990 0.300 1 398 524 40 ASN H H 8.426 0.020 1 399 524 40 ASN HA H 4.688 0.020 1 400 524 40 ASN HB2 H 2.763 0.020 2 401 524 40 ASN HB3 H 2.878 0.020 2 402 524 40 ASN HD21 H 6.964 0.020 2 403 524 40 ASN HD22 H 7.674 0.020 2 404 524 40 ASN CA C 53.308 0.300 1 405 524 40 ASN CB C 38.573 0.300 1 406 524 40 ASN N N 116.728 0.300 1 407 524 40 ASN ND2 N 110.552 0.300 1 408 525 41 LEU H H 8.227 0.020 1 409 525 41 LEU HA H 4.304 0.020 1 410 525 41 LEU HB2 H 1.609 0.020 2 411 525 41 LEU HB3 H 1.683 0.020 2 412 525 41 LEU HD1 H 0.814 0.020 2 413 525 41 LEU HD2 H 0.908 0.020 2 414 525 41 LEU HG H 1.619 0.020 1 415 525 41 LEU CA C 55.332 0.300 1 416 525 41 LEU CB C 42.094 0.300 1 417 525 41 LEU CD1 C 23.156 0.300 2 418 525 41 LEU CD2 C 25.218 0.300 2 419 525 41 LEU CG C 26.803 0.300 1 420 525 41 LEU N N 120.630 0.300 1 421 526 42 LYS H H 8.207 0.020 1 422 526 42 LYS HA H 4.284 0.020 1 423 526 42 LYS HB2 H 1.812 0.020 2 424 526 42 LYS HB3 H 1.875 0.020 2 425 526 42 LYS HD2 H 1.693 0.020 2 426 526 42 LYS HD3 H 1.693 0.020 2 427 526 42 LYS HE2 H 2.999 0.020 2 428 526 42 LYS HE3 H 2.999 0.020 2 429 526 42 LYS HG2 H 1.421 0.020 2 430 526 42 LYS HG3 H 1.480 0.020 2 431 526 42 LYS CA C 56.667 0.300 1 432 526 42 LYS CB C 32.809 0.300 1 433 526 42 LYS CD C 29.091 0.300 1 434 526 42 LYS CE C 42.138 0.300 1 435 526 42 LYS CG C 24.802 0.300 1 436 526 42 LYS N N 118.607 0.300 1 437 527 43 GLY H H 8.383 0.020 1 438 527 43 GLY HA2 H 3.968 0.020 2 439 527 43 GLY HA3 H 3.968 0.020 2 440 527 43 GLY CA C 45.278 0.300 1 441 527 43 GLY N N 107.468 0.300 1 442 528 44 LYS H H 8.320 0.020 1 443 528 44 LYS HA H 4.333 0.020 1 444 528 44 LYS HB2 H 1.793 0.020 2 445 528 44 LYS HB3 H 1.891 0.020 2 446 528 44 LYS HD2 H 1.699 0.020 2 447 528 44 LYS HD3 H 1.699 0.020 2 448 528 44 LYS HE2 H 3.007 0.020 2 449 528 44 LYS HE3 H 3.007 0.020 2 450 528 44 LYS HG2 H 1.430 0.020 2 451 528 44 LYS HG3 H 1.480 0.020 2 452 528 44 LYS CA C 56.500 0.300 1 453 528 44 LYS CB C 32.944 0.300 1 454 528 44 LYS CD C 29.089 0.300 1 455 528 44 LYS CE C 42.192 0.300 1 456 528 44 LYS CG C 24.730 0.300 1 457 528 44 LYS N N 118.800 0.300 1 458 529 45 GLY H H 8.586 0.020 1 459 529 45 GLY HA2 H 3.992 0.020 2 460 529 45 GLY HA3 H 3.992 0.020 2 461 529 45 GLY CA C 45.296 0.300 1 462 529 45 GLY N N 108.073 0.300 1 463 530 46 SER H H 8.264 0.020 1 464 530 46 SER HA H 4.478 0.020 1 465 530 46 SER HB2 H 3.889 0.020 2 466 530 46 SER HB3 H 3.889 0.020 2 467 530 46 SER CA C 58.379 0.300 1 468 530 46 SER CB C 63.864 0.300 1 469 530 46 SER N N 113.546 0.300 1 470 531 47 LEU H H 8.456 0.020 1 471 531 47 LEU HA H 4.448 0.020 1 472 531 47 LEU HB2 H 1.678 0.020 2 473 531 47 LEU HB3 H 1.678 0.020 2 474 531 47 LEU HD1 H 0.882 0.020 2 475 531 47 LEU HD2 H 0.938 0.020 2 476 531 47 LEU HG H 1.671 0.020 1 477 531 47 LEU CA C 55.255 0.300 1 478 531 47 LEU CB C 42.290 0.300 1 479 531 47 LEU CD1 C 23.261 0.300 2 480 531 47 LEU CD2 C 25.146 0.300 2 481 531 47 LEU CG C 26.921 0.300 1 482 531 47 LEU N N 122.135 0.300 1 483 532 48 SER H H 7.932 0.020 1 484 532 48 SER HA H 4.255 0.020 1 485 532 48 SER HB2 H 3.844 0.020 2 486 532 48 SER HB3 H 3.844 0.020 2 487 532 48 SER CA C 59.938 0.300 1 488 532 48 SER CB C 64.842 0.300 1 489 532 48 SER N N 119.382 0.300 1 stop_ save_ save_UBM1_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 $13C15NUBM1+ub $15NUBM1+ub $13C15NUbi+ubm1 $15NUbi+ubm1 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 4.235 0.020 1 2 1 1 MET HB2 H 2.063 0.020 2 3 1 1 MET HB3 H 2.109 0.020 2 4 1 1 MET HE H 1.630 0.020 1 5 1 1 MET HG2 H 1.936 0.020 2 6 1 1 MET HG3 H 2.567 0.020 2 7 1 1 MET CA C 54.339 0.300 1 8 1 1 MET CB C 32.982 0.300 1 9 1 1 MET CE C 17.747 0.300 1 10 1 1 MET CG C 30.807 0.300 1 11 2 2 GLN H H 9.068 0.020 1 12 2 2 GLN HA H 5.286 0.020 1 13 2 2 GLN HB2 H 1.656 0.020 2 14 2 2 GLN HB3 H 1.863 0.020 2 15 2 2 GLN HE21 H 6.811 0.020 2 16 2 2 GLN HE22 H 7.802 0.020 2 17 2 2 GLN HG2 H 1.859 0.020 2 18 2 2 GLN HG3 H 2.216 0.020 2 19 2 2 GLN CA C 55.030 0.300 1 20 2 2 GLN CB C 30.685 0.300 1 21 2 2 GLN CG C 34.623 0.300 1 22 2 2 GLN N N 120.938 0.300 1 23 2 2 GLN NE2 N 109.945 0.300 1 24 3 3 ILE H H 8.325 0.020 1 25 3 3 ILE HA H 4.157 0.020 1 26 3 3 ILE HB H 1.757 0.020 1 27 3 3 ILE HD1 H 0.585 0.020 1 28 3 3 ILE HG12 H 0.816 0.020 2 29 3 3 ILE HG13 H 1.035 0.020 2 30 3 3 ILE HG2 H 0.619 0.020 1 31 3 3 ILE CA C 59.642 0.300 1 32 3 3 ILE CB C 42.117 0.300 1 33 3 3 ILE CD1 C 14.154 0.300 1 34 3 3 ILE CG1 C 24.792 0.300 1 35 3 3 ILE CG2 C 17.743 0.300 1 36 3 3 ILE N N 112.667 0.300 1 37 4 4 PHE H H 8.625 0.020 1 38 4 4 PHE HA H 5.536 0.020 1 39 4 4 PHE HB2 H 2.863 0.020 2 40 4 4 PHE HB3 H 3.048 0.020 2 41 4 4 PHE HD1 H 7.072 0.020 3 42 4 4 PHE HD2 H 7.072 0.020 3 43 4 4 PHE HE1 H 7.244 0.020 3 44 4 4 PHE HE2 H 7.244 0.020 3 45 4 4 PHE HZ H 7.245 0.020 1 46 4 4 PHE CA C 55.125 0.300 1 47 4 4 PHE CB C 41.087 0.300 1 48 4 4 PHE CD1 C 132.191 0.300 3 49 4 4 PHE CE1 C 131.093 0.300 3 50 4 4 PHE CZ C 129.629 0.300 1 51 4 4 PHE N N 115.966 0.300 1 52 5 5 VAL H H 9.434 0.020 1 53 5 5 VAL HA H 4.802 0.020 1 54 5 5 VAL HB H 1.922 0.020 1 55 5 5 VAL HG1 H 0.687 0.020 2 56 5 5 VAL HG2 H 0.732 0.020 2 57 5 5 VAL CA C 60.314 0.300 1 58 5 5 VAL CB C 33.879 0.300 1 59 5 5 VAL CG1 C 22.681 0.300 2 60 5 5 VAL CG2 C 20.811 0.300 2 61 5 5 VAL N N 119.623 0.300 1 62 6 6 LYS H H 9.136 0.020 1 63 6 6 LYS HA H 5.686 0.020 1 64 6 6 LYS HB2 H 1.517 0.020 2 65 6 6 LYS HB3 H 1.744 0.020 2 66 6 6 LYS HD2 H 1.590 0.020 2 67 6 6 LYS HD3 H 1.626 0.020 2 68 6 6 LYS HE2 H 2.869 0.020 2 69 6 6 LYS HE3 H 2.869 0.020 2 70 6 6 LYS HG2 H 1.315 0.020 2 71 6 6 LYS HG3 H 1.584 0.020 2 72 6 6 LYS CA C 54.051 0.300 1 73 6 6 LYS CB C 35.684 0.300 1 74 6 6 LYS CD C 29.615 0.300 1 75 6 6 LYS CE C 41.887 0.300 1 76 6 6 LYS CG C 25.351 0.300 1 77 6 6 LYS N N 125.643 0.300 1 78 7 7 THR H H 8.848 0.020 1 79 7 7 THR HA H 5.144 0.020 1 80 7 7 THR HB H 4.954 0.020 1 81 7 7 THR HG2 H 1.241 0.020 1 82 7 7 THR CA C 60.130 0.300 1 83 7 7 THR CB C 70.593 0.300 1 84 7 7 THR CG2 C 21.596 0.300 1 85 7 7 THR N N 112.104 0.300 1 86 8 8 LEU H H 8.867 0.020 1 87 8 8 LEU HA H 4.255 0.020 1 88 8 8 LEU HB2 H 1.844 0.020 2 89 8 8 LEU HB3 H 1.960 0.020 2 90 8 8 LEU HD1 H 1.034 0.020 2 91 8 8 LEU HD2 H 1.109 0.020 2 92 8 8 LEU HG H 2.048 0.020 1 93 8 8 LEU CA C 57.248 0.300 1 94 8 8 LEU CB C 43.054 0.300 1 95 8 8 LEU CD1 C 25.375 0.300 2 96 8 8 LEU CD2 C 25.375 0.300 2 97 8 8 LEU CG C 27.274 0.300 1 98 8 8 LEU N N 116.648 0.300 1 99 9 9 THR H H 7.562 0.020 1 100 9 9 THR HA H 4.648 0.020 1 101 9 9 THR HB H 4.622 0.020 1 102 9 9 THR HG2 H 1.250 0.020 1 103 9 9 THR CA C 61.029 0.300 1 104 9 9 THR CB C 69.213 0.300 1 105 9 9 THR CG2 C 21.785 0.300 1 106 9 9 THR N N 100.712 0.300 1 107 10 10 GLY H H 8.235 0.020 1 108 10 10 GLY HA2 H 3.528 0.020 2 109 10 10 GLY HA3 H 4.474 0.020 2 110 10 10 GLY CA C 45.331 0.300 1 111 10 10 GLY N N 107.365 0.300 1 112 11 11 LYS H H 7.383 0.020 1 113 11 11 LYS HA H 4.287 0.020 1 114 11 11 LYS HB2 H 1.722 0.020 2 115 11 11 LYS HB3 H 1.898 0.020 2 116 11 11 LYS HD2 H 1.602 0.020 2 117 11 11 LYS HD3 H 1.673 0.020 2 118 11 11 LYS HE2 H 2.921 0.020 2 119 11 11 LYS HE3 H 2.921 0.020 2 120 11 11 LYS HG2 H 1.219 0.020 2 121 11 11 LYS HG3 H 1.468 0.020 2 122 11 11 LYS CA C 56.731 0.300 1 123 11 11 LYS CB C 33.024 0.300 1 124 11 11 LYS CD C 29.596 0.300 1 125 11 11 LYS CE C 41.960 0.300 1 126 11 11 LYS CG C 25.270 0.300 1 127 11 11 LYS N N 120.786 0.300 1 128 12 12 THR H H 8.726 0.020 1 129 12 12 THR HA H 5.059 0.020 1 130 12 12 THR HB H 3.963 0.020 1 131 12 12 THR HG2 H 1.106 0.020 1 132 12 12 THR CA C 62.540 0.300 1 133 12 12 THR CB C 69.832 0.300 1 134 12 12 THR CG2 C 21.824 0.300 1 135 12 12 THR N N 118.634 0.300 1 136 13 13 ILE H H 9.820 0.020 1 137 13 13 ILE HA H 4.449 0.020 1 138 13 13 ILE HB H 1.869 0.020 1 139 13 13 ILE HD1 H 0.706 0.020 1 140 13 13 ILE HG12 H 1.063 0.020 2 141 13 13 ILE HG13 H 1.468 0.020 2 142 13 13 ILE HG2 H 0.878 0.020 1 143 13 13 ILE CA C 60.122 0.300 1 144 13 13 ILE CB C 40.998 0.300 1 145 13 13 ILE CD1 C 14.562 0.300 1 146 13 13 ILE CG1 C 27.032 0.300 1 147 13 13 ILE CG2 C 17.575 0.300 1 148 13 13 ILE N N 127.422 0.300 1 149 14 14 THR H H 8.869 0.020 1 150 14 14 THR HA H 4.947 0.020 1 151 14 14 THR HB H 4.046 0.020 1 152 14 14 THR HG2 H 1.152 0.020 1 153 14 14 THR CA C 62.186 0.300 1 154 14 14 THR CB C 69.487 0.300 1 155 14 14 THR CG2 C 21.696 0.300 1 156 14 14 THR N N 120.257 0.300 1 157 15 15 LEU H H 8.697 0.020 1 158 15 15 LEU HA H 4.790 0.020 1 159 15 15 LEU HB2 H 1.217 0.020 2 160 15 15 LEU HB3 H 1.349 0.020 2 161 15 15 LEU HD1 H 0.707 0.020 2 162 15 15 LEU HD2 H 0.761 0.020 2 163 15 15 LEU HG H 1.412 0.020 1 164 15 15 LEU CA C 52.697 0.300 1 165 15 15 LEU CB C 47.196 0.300 1 166 15 15 LEU CD1 C 27.171 0.300 2 167 15 15 LEU CD2 C 24.008 0.300 2 168 15 15 LEU CG C 26.676 0.300 1 169 15 15 LEU N N 122.545 0.300 1 170 16 16 GLU H H 8.164 0.020 1 171 16 16 GLU HA H 4.876 0.020 1 172 16 16 GLU HB2 H 1.827 0.020 2 173 16 16 GLU HB3 H 1.916 0.020 2 174 16 16 GLU HG2 H 2.089 0.020 2 175 16 16 GLU HG3 H 2.252 0.020 2 176 16 16 GLU CA C 54.780 0.300 1 177 16 16 GLU CB C 29.816 0.300 1 178 16 16 GLU CG C 35.404 0.300 1 179 16 16 GLU N N 120.123 0.300 1 180 17 17 VAL H H 9.014 0.020 1 181 17 17 VAL HA H 4.687 0.020 1 182 17 17 VAL HB H 2.337 0.020 1 183 17 17 VAL HG1 H 0.417 0.020 2 184 17 17 VAL HG2 H 0.706 0.020 2 185 17 17 VAL CA C 58.392 0.300 1 186 17 17 VAL CB C 36.402 0.300 1 187 17 17 VAL CG1 C 19.624 0.300 2 188 17 17 VAL CG2 C 22.072 0.300 2 189 17 17 VAL N N 115.121 0.300 1 190 18 18 GLU H H 8.687 0.020 1 191 18 18 GLU HA H 5.088 0.020 1 192 18 18 GLU HB2 H 1.582 0.020 2 193 18 18 GLU HB3 H 2.145 0.020 2 194 18 18 GLU HG2 H 2.223 0.020 2 195 18 18 GLU HG3 H 2.346 0.020 2 196 18 18 GLU CA C 52.635 0.300 1 197 18 18 GLU CB C 30.811 0.300 1 198 18 18 GLU CG C 35.005 0.300 1 199 18 18 GLU N N 116.728 0.300 1 200 19 19 PRO HA H 4.118 0.020 1 201 19 19 PRO HB2 H 2.009 0.020 2 202 19 19 PRO HB3 H 2.444 0.020 2 203 19 19 PRO HD2 H 3.814 0.020 2 204 19 19 PRO HD3 H 4.006 0.020 2 205 19 19 PRO HG2 H 2.065 0.020 2 206 19 19 PRO HG3 H 2.213 0.020 2 207 19 19 PRO CA C 65.235 0.300 1 208 19 19 PRO CB C 31.843 0.300 1 209 19 19 PRO CD C 50.398 0.300 1 210 19 19 PRO CG C 28.021 0.300 1 211 20 20 SER H H 7.074 0.020 1 212 20 20 SER HA H 4.356 0.020 1 213 20 20 SER HB2 H 3.785 0.020 2 214 20 20 SER HB3 H 4.157 0.020 2 215 20 20 SER CA C 57.344 0.300 1 216 20 20 SER CB C 63.369 0.300 1 217 20 20 SER N N 100.949 0.300 1 218 21 21 ASP H H 8.118 0.020 1 219 21 21 ASP HA H 4.679 0.020 1 220 21 21 ASP HB2 H 2.519 0.020 2 221 21 21 ASP HB3 H 2.944 0.020 2 222 21 21 ASP CA C 55.812 0.300 1 223 21 21 ASP CB C 40.816 0.300 1 224 21 21 ASP N N 121.704 0.300 1 225 22 22 THR H H 7.946 0.020 1 226 22 22 THR HA H 4.888 0.020 1 227 22 22 THR HB H 4.832 0.020 1 228 22 22 THR HG2 H 1.255 0.020 1 229 22 22 THR CA C 59.553 0.300 1 230 22 22 THR CB C 71.145 0.300 1 231 22 22 THR CG2 C 22.129 0.300 1 232 22 22 THR N N 106.661 0.300 1 233 23 23 ILE H H 8.600 0.020 1 234 23 23 ILE HA H 3.657 0.020 1 235 23 23 ILE HB H 2.620 0.020 1 236 23 23 ILE HD1 H 0.572 0.020 1 237 23 23 ILE HG12 H 1.319 0.020 2 238 23 23 ILE HG13 H 1.939 0.020 2 239 23 23 ILE HG2 H 0.797 0.020 1 240 23 23 ILE CA C 62.219 0.300 1 241 23 23 ILE CB C 34.289 0.300 1 242 23 23 ILE CD1 C 9.315 0.300 1 243 23 23 ILE CG1 C 27.741 0.300 1 244 23 23 ILE CG2 C 18.055 0.300 1 245 23 23 ILE N N 119.334 0.300 1 246 24 24 GLU H H 9.841 0.020 1 247 24 24 GLU HA H 3.875 0.020 1 248 24 24 GLU HB2 H 2.038 0.020 2 249 24 24 GLU HB3 H 2.038 0.020 2 250 24 24 GLU HG2 H 2.302 0.020 2 251 24 24 GLU HG3 H 2.343 0.020 2 252 24 24 GLU CA C 60.403 0.300 1 253 24 24 GLU CB C 28.928 0.300 1 254 24 24 GLU CG C 35.879 0.300 1 255 25 25 ASN H H 8.003 0.020 1 256 25 25 ASN HA H 4.549 0.020 1 257 25 25 ASN HB2 H 2.853 0.020 2 258 25 25 ASN HB3 H 3.249 0.020 2 259 25 25 ASN HD21 H 6.971 0.020 2 260 25 25 ASN HD22 H 7.897 0.020 2 261 25 25 ASN CA C 55.924 0.300 1 262 25 25 ASN CB C 38.319 0.300 1 263 25 25 ASN N N 118.742 0.300 1 264 25 25 ASN ND2 N 107.499 0.300 1 265 26 26 VAL H H 8.221 0.020 1 266 26 26 VAL HA H 3.390 0.020 1 267 26 26 VAL HB H 2.330 0.020 1 268 26 26 VAL HG1 H 0.699 0.020 2 269 26 26 VAL HG2 H 0.987 0.020 2 270 26 26 VAL CA C 67.663 0.300 1 271 26 26 VAL CB C 30.661 0.300 1 272 26 26 VAL CG1 C 21.634 0.300 2 273 26 26 VAL CG2 C 23.569 0.300 2 274 26 26 VAL N N 119.945 0.300 1 275 27 27 LYS H H 8.562 0.020 1 276 27 27 LYS HA H 4.596 0.020 1 277 27 27 LYS HB2 H 1.449 0.020 2 278 27 27 LYS HB3 H 2.008 0.020 2 279 27 27 LYS HD2 H 1.630 0.020 2 280 27 27 LYS HD3 H 1.745 0.020 2 281 27 27 LYS HE2 H 2.565 0.020 2 282 27 27 LYS HE3 H 2.643 0.020 2 283 27 27 LYS HG2 H 1.380 0.020 2 284 27 27 LYS HG3 H 1.558 0.020 2 285 27 27 LYS CA C 59.178 0.300 1 286 27 27 LYS CB C 33.537 0.300 1 287 27 27 LYS CD C 30.205 0.300 1 288 27 27 LYS CE C 42.482 0.300 1 289 27 27 LYS CG C 26.284 0.300 1 290 27 27 LYS N N 116.853 0.300 1 291 28 28 ALA H H 8.021 0.020 1 292 28 28 ALA HA H 4.157 0.020 1 293 28 28 ALA HB H 1.636 0.020 1 294 28 28 ALA CA C 55.268 0.300 1 295 28 28 ALA CB C 17.673 0.300 1 296 28 28 ALA N N 121.175 0.300 1 297 29 29 LYS H H 7.980 0.020 1 298 29 29 LYS HA H 4.205 0.020 1 299 29 29 LYS HB2 H 1.959 0.020 2 300 29 29 LYS HB3 H 2.155 0.020 2 301 29 29 LYS HD2 H 1.445 0.020 2 302 29 29 LYS HD3 H 1.807 0.020 2 303 29 29 LYS HE2 H 2.972 0.020 2 304 29 29 LYS HE3 H 3.202 0.020 2 305 29 29 LYS HG2 H 1.609 0.020 2 306 29 29 LYS HG3 H 1.792 0.020 2 307 29 29 LYS CA C 59.753 0.300 1 308 29 29 LYS CB C 33.263 0.300 1 309 29 29 LYS CD C 30.279 0.300 1 310 29 29 LYS CE C 42.404 0.300 1 311 29 29 LYS CG C 26.482 0.300 1 312 29 29 LYS N N 118.321 0.300 1 313 30 30 ILE H H 8.353 0.020 1 314 30 30 ILE HA H 3.519 0.020 1 315 30 30 ILE HB H 2.373 0.020 1 316 30 30 ILE HD1 H 0.905 0.020 1 317 30 30 ILE HG12 H 0.690 0.020 2 318 30 30 ILE HG13 H 2.023 0.020 2 319 30 30 ILE HG2 H 0.700 0.020 1 320 30 30 ILE CA C 66.056 0.300 1 321 30 30 ILE CB C 36.720 0.300 1 322 30 30 ILE CD1 C 15.066 0.300 1 323 30 30 ILE CG1 C 31.289 0.300 1 324 30 30 ILE CG2 C 17.010 0.300 1 325 30 30 ILE N N 119.416 0.300 1 326 31 31 GLN H H 8.546 0.020 1 327 31 31 GLN HA H 3.840 0.020 1 328 31 31 GLN HB2 H 2.005 0.020 2 329 31 31 GLN HB3 H 2.527 0.020 2 330 31 31 GLN HE21 H 6.900 0.020 2 331 31 31 GLN HE22 H 7.760 0.020 2 332 31 31 GLN HG2 H 1.920 0.020 2 333 31 31 GLN HG3 H 2.280 0.020 2 334 31 31 GLN CA C 60.066 0.300 1 335 31 31 GLN CB C 27.633 0.300 1 336 31 31 GLN CG C 33.782 0.300 1 337 31 31 GLN N N 121.410 0.300 1 338 31 31 GLN NE2 N 108.148 0.300 1 339 32 32 ASP H H 8.159 0.020 1 340 32 32 ASP HA H 4.327 0.020 1 341 32 32 ASP HB2 H 2.755 0.020 2 342 32 32 ASP HB3 H 2.848 0.020 2 343 32 32 ASP CA C 57.397 0.300 1 344 32 32 ASP CB C 40.904 0.300 1 345 32 32 ASP N N 117.685 0.300 1 346 33 33 LYS H H 7.516 0.020 1 347 33 33 LYS HA H 4.305 0.020 1 348 33 33 LYS HB2 H 1.865 0.020 2 349 33 33 LYS HB3 H 1.996 0.020 2 350 33 33 LYS HD2 H 1.721 0.020 2 351 33 33 LYS HD3 H 1.721 0.020 2 352 33 33 LYS HE2 H 3.144 0.020 2 353 33 33 LYS HE3 H 3.187 0.020 2 354 33 33 LYS HG2 H 1.605 0.020 2 355 33 33 LYS HG3 H 1.605 0.020 2 356 33 33 LYS CA C 58.318 0.300 1 357 33 33 LYS CB C 34.065 0.300 1 358 33 33 LYS CD C 28.982 0.300 1 359 33 33 LYS CE C 42.146 0.300 1 360 33 33 LYS CG C 25.258 0.300 1 361 33 33 LYS N N 113.387 0.300 1 362 34 34 GLU H H 8.764 0.020 1 363 34 34 GLU HA H 4.577 0.020 1 364 34 34 GLU HB2 H 1.678 0.020 2 365 34 34 GLU HB3 H 2.287 0.020 2 366 34 34 GLU HG2 H 2.083 0.020 2 367 34 34 GLU HG3 H 2.192 0.020 2 368 34 34 GLU CA C 55.247 0.300 1 369 34 34 GLU CB C 33.236 0.300 1 370 34 34 GLU CG C 36.111 0.300 1 371 34 34 GLU N N 111.566 0.300 1 372 35 35 GLY H H 8.559 0.020 1 373 35 35 GLY HA2 H 3.924 0.020 2 374 35 35 GLY HA3 H 4.147 0.020 2 375 35 35 GLY CA C 45.902 0.300 1 376 35 35 GLY N N 106.728 0.300 1 377 36 36 ILE H H 6.164 0.020 1 378 36 36 ILE HA H 4.399 0.020 1 379 36 36 ILE HB H 1.404 0.020 1 380 36 36 ILE HD1 H 0.794 0.020 1 381 36 36 ILE HG12 H 1.100 0.020 2 382 36 36 ILE HG13 H 1.398 0.020 2 383 36 36 ILE HG2 H 0.946 0.020 1 384 36 36 ILE CA C 57.903 0.300 1 385 36 36 ILE CB C 40.634 0.300 1 386 36 36 ILE CD1 C 13.638 0.300 1 387 36 36 ILE CG1 C 26.866 0.300 1 388 36 36 ILE CG2 C 17.995 0.300 1 389 36 36 ILE N N 118.290 0.300 1 390 37 37 PRO HA H 4.630 0.020 1 391 37 37 PRO HB2 H 1.967 0.020 2 392 37 37 PRO HB3 H 2.428 0.020 2 393 37 37 PRO HD2 H 3.545 0.020 2 394 37 37 PRO HD3 H 4.234 0.020 2 395 37 37 PRO HG2 H 2.056 0.020 2 396 37 37 PRO HG3 H 2.136 0.020 2 397 37 37 PRO CA C 61.364 0.300 1 398 37 37 PRO CB C 31.860 0.300 1 399 37 37 PRO CD C 50.995 0.300 1 400 37 37 PRO CG C 28.208 0.300 1 401 38 38 PRO HA H 4.132 0.020 1 402 38 38 PRO HB2 H 2.031 0.020 2 403 38 38 PRO HB3 H 2.254 0.020 2 404 38 38 PRO HD2 H 3.759 0.020 2 405 38 38 PRO HD3 H 3.759 0.020 2 406 38 38 PRO HG2 H 1.623 0.020 2 407 38 38 PRO HG3 H 2.186 0.020 2 408 38 38 PRO CA C 66.056 0.300 1 409 38 38 PRO CB C 32.837 0.300 1 410 38 38 PRO CD C 51.160 0.300 1 411 38 38 PRO CG C 27.624 0.300 1 412 39 39 ASP H H 8.637 0.020 1 413 39 39 ASP HA H 4.390 0.020 1 414 39 39 ASP HB2 H 2.688 0.020 2 415 39 39 ASP HB3 H 2.800 0.020 2 416 39 39 ASP CA C 55.691 0.300 1 417 39 39 ASP CB C 39.574 0.300 1 418 39 39 ASP N N 111.553 0.300 1 419 40 40 GLN H H 7.845 0.020 1 420 40 40 GLN HA H 4.354 0.020 1 421 40 40 GLN HB2 H 1.860 0.020 2 422 40 40 GLN HB3 H 2.517 0.020 2 423 40 40 GLN HE21 H 6.824 0.020 2 424 40 40 GLN HE22 H 7.753 0.020 2 425 40 40 GLN HG2 H 2.434 0.020 2 426 40 40 GLN HG3 H 2.434 0.020 2 427 40 40 GLN CA C 55.422 0.300 1 428 40 40 GLN CB C 30.003 0.300 1 429 40 40 GLN CG C 34.101 0.300 1 430 40 40 GLN N N 114.377 0.300 1 431 40 40 GLN NE2 N 109.618 0.300 1 432 41 41 GLN H H 7.606 0.020 1 433 41 41 GLN HA H 3.995 0.020 1 434 41 41 GLN HB2 H 1.857 0.020 2 435 41 41 GLN HB3 H 1.977 0.020 2 436 41 41 GLN HE21 H 6.025 0.020 2 437 41 41 GLN HE22 H 6.540 0.020 2 438 41 41 GLN HG2 H 1.627 0.020 2 439 41 41 GLN HG3 H 2.554 0.020 2 440 41 41 GLN CA C 56.998 0.300 1 441 41 41 GLN CB C 31.246 0.300 1 442 41 41 GLN CG C 33.398 0.300 1 443 41 41 GLN N N 115.743 0.300 1 444 41 41 GLN NE2 N 102.045 0.300 1 445 42 42 ARG H H 7.601 0.020 1 446 42 42 ARG HA H 4.531 0.020 1 447 42 42 ARG HB2 H 1.349 0.020 2 448 42 42 ARG HB3 H 2.262 0.020 2 449 42 42 ARG HD2 H 2.956 0.020 2 450 42 42 ARG HD3 H 3.175 0.020 2 451 42 42 ARG HG2 H 1.449 0.020 2 452 42 42 ARG HG3 H 1.729 0.020 2 453 42 42 ARG CA C 55.469 0.300 1 454 42 42 ARG CB C 31.779 0.300 1 455 42 42 ARG CD C 44.271 0.300 1 456 42 42 ARG CG C 26.444 0.300 1 457 42 42 ARG N N 117.888 0.300 1 458 43 43 LEU H H 8.863 0.020 1 459 43 43 LEU HA H 5.375 0.020 1 460 43 43 LEU HB2 H 1.160 0.020 2 461 43 43 LEU HB3 H 1.509 0.020 2 462 43 43 LEU HD1 H 0.771 0.020 2 463 43 43 LEU HD2 H 0.804 0.020 2 464 43 43 LEU HG H 1.463 0.020 1 465 43 43 LEU CA C 52.839 0.300 1 466 43 43 LEU CB C 45.439 0.300 1 467 43 43 LEU CD1 C 26.553 0.300 2 468 43 43 LEU CD2 C 24.146 0.300 2 469 43 43 LEU CG C 27.089 0.300 1 470 43 43 LEU N N 120.908 0.300 1 471 44 44 ILE H H 9.350 0.020 1 472 44 44 ILE HA H 5.015 0.020 1 473 44 44 ILE HB H 1.872 0.020 1 474 44 44 ILE HD1 H 0.654 0.020 1 475 44 44 ILE HG12 H 1.140 0.020 2 476 44 44 ILE HG13 H 1.219 0.020 2 477 44 44 ILE HG2 H 0.828 0.020 1 478 44 44 ILE CA C 58.625 0.300 1 479 44 44 ILE CB C 41.114 0.300 1 480 44 44 ILE CD1 C 13.357 0.300 1 481 44 44 ILE CG1 C 29.083 0.300 1 482 44 44 ILE CG2 C 19.054 0.300 1 483 44 44 ILE N N 121.104 0.300 1 484 45 45 PHE H H 8.865 0.020 1 485 45 45 PHE HA H 5.217 0.020 1 486 45 45 PHE HB2 H 2.780 0.020 2 487 45 45 PHE HB3 H 3.070 0.020 2 488 45 45 PHE HD1 H 7.372 0.020 3 489 45 45 PHE HD2 H 7.372 0.020 3 490 45 45 PHE HE1 H 7.528 0.020 3 491 45 45 PHE HE2 H 7.528 0.020 3 492 45 45 PHE HZ H 7.469 0.020 1 493 45 45 PHE CA C 57.018 0.300 1 494 45 45 PHE CB C 44.048 0.300 1 495 45 45 PHE CD1 C 132.281 0.300 3 496 45 45 PHE CE1 C 132.285 0.300 3 497 45 45 PHE CZ C 130.161 0.300 1 498 45 45 PHE N N 122.480 0.300 1 499 46 46 ALA H H 8.804 0.020 1 500 46 46 ALA HA H 3.762 0.020 1 501 46 46 ALA HB H 0.944 0.020 1 502 46 46 ALA CA C 52.491 0.300 1 503 46 46 ALA CB C 16.550 0.300 1 504 46 46 ALA N N 130.137 0.300 1 505 47 47 GLY H H 8.606 0.020 1 506 47 47 GLY HA2 H 3.405 0.020 2 507 47 47 GLY HA3 H 4.052 0.020 2 508 47 47 GLY CA C 45.422 0.300 1 509 47 47 GLY N N 100.196 0.300 1 510 48 48 LYS H H 7.855 0.020 1 511 48 48 LYS HA H 4.716 0.020 1 512 48 48 LYS HB2 H 1.871 0.020 2 513 48 48 LYS HB3 H 1.871 0.020 2 514 48 48 LYS HD2 H 1.838 0.020 2 515 48 48 LYS HD3 H 1.866 0.020 2 516 48 48 LYS HE2 H 3.163 0.020 2 517 48 48 LYS HE3 H 3.163 0.020 2 518 48 48 LYS HG2 H 1.516 0.020 2 519 48 48 LYS HG3 H 1.516 0.020 2 520 48 48 LYS CA C 54.188 0.300 1 521 48 48 LYS CB C 35.071 0.300 1 522 48 48 LYS CD C 28.973 0.300 1 523 48 48 LYS CE C 42.218 0.300 1 524 48 48 LYS CG C 24.196 0.300 1 525 48 48 LYS N N 117.519 0.300 1 526 49 49 GLN H H 8.954 0.020 1 527 49 49 GLN HA H 4.578 0.020 1 528 49 49 GLN HB2 H 1.936 0.020 2 529 49 49 GLN HB3 H 2.046 0.020 2 530 49 49 GLN HE21 H 7.079 0.020 2 531 49 49 GLN HE22 H 7.882 0.020 2 532 49 49 GLN HG2 H 2.231 0.020 2 533 49 49 GLN HG3 H 2.274 0.020 2 534 49 49 GLN CA C 56.199 0.300 1 535 49 49 GLN CB C 28.971 0.300 1 536 49 49 GLN CG C 34.937 0.300 1 537 49 49 GLN N N 120.047 0.300 1 538 49 49 GLN NE2 N 110.187 0.300 1 539 50 50 LEU H H 8.785 0.020 1 540 50 50 LEU HA H 4.141 0.020 1 541 50 50 LEU HB2 H 1.099 0.020 2 542 50 50 LEU HB3 H 1.447 0.020 2 543 50 50 LEU HD1 H -0.175 0.020 2 544 50 50 LEU HD2 H 0.502 0.020 2 545 50 50 LEU HG H 1.551 0.020 1 546 50 50 LEU CA C 54.219 0.300 1 547 50 50 LEU CB C 41.916 0.300 1 548 50 50 LEU CD1 C 19.005 0.300 2 549 50 50 LEU CD2 C 25.660 0.300 2 550 50 50 LEU CG C 25.682 0.300 1 551 50 50 LEU N N 123.531 0.300 1 552 51 51 GLU H H 8.536 0.020 1 553 51 51 GLU HA H 4.470 0.020 1 554 51 51 GLU HB2 H 2.018 0.020 2 555 51 51 GLU HB3 H 2.239 0.020 2 556 51 51 GLU HG2 H 2.356 0.020 2 557 51 51 GLU HG3 H 2.437 0.020 2 558 51 51 GLU CA C 55.967 0.300 1 559 51 51 GLU CB C 31.792 0.300 1 560 51 51 GLU CG C 36.652 0.300 1 561 51 51 GLU N N 120.476 0.300 1 562 52 52 ASP H H 8.268 0.020 1 563 52 52 ASP HA H 4.391 0.020 1 564 52 52 ASP HB2 H 2.532 0.020 2 565 52 52 ASP HB3 H 2.625 0.020 2 566 52 52 ASP CA C 56.839 0.300 1 567 52 52 ASP CB C 40.860 0.300 1 568 52 52 ASP N N 118.305 0.300 1 569 53 53 GLY HA2 H 3.928 0.020 2 570 53 53 GLY HA3 H 4.136 0.020 2 571 53 53 GLY CA C 45.176 0.300 1 572 54 54 ARG H H 7.424 0.020 1 573 54 54 ARG HA H 4.682 0.020 1 574 54 54 ARG HB2 H 2.010 0.020 2 575 54 54 ARG HB3 H 2.177 0.020 2 576 54 54 ARG HD2 H 3.049 0.020 2 577 54 54 ARG HD3 H 3.122 0.020 2 578 54 54 ARG HE H 7.074 0.020 1 579 54 54 ARG HG2 H 1.610 0.020 2 580 54 54 ARG HG3 H 1.794 0.020 2 581 54 54 ARG CA C 54.341 0.300 1 582 54 54 ARG CB C 32.550 0.300 1 583 54 54 ARG CD C 42.864 0.300 1 584 54 54 ARG CG C 27.437 0.300 1 585 54 54 ARG N N 117.073 0.300 1 586 54 54 ARG NE N 82.614 0.300 1 587 55 55 THR H H 8.844 0.020 1 588 55 55 THR HA H 5.211 0.020 1 589 55 55 THR HB H 4.552 0.020 1 590 55 55 THR HG2 H 1.129 0.020 1 591 55 55 THR CA C 59.629 0.300 1 592 55 55 THR CB C 72.275 0.300 1 593 55 55 THR CG2 C 22.229 0.300 1 594 55 55 THR N N 106.315 0.300 1 595 56 56 LEU H H 8.194 0.020 1 596 56 56 LEU HA H 4.053 0.020 1 597 56 56 LEU HB2 H 1.199 0.020 2 598 56 56 LEU HB3 H 2.108 0.020 2 599 56 56 LEU HD1 H 0.617 0.020 2 600 56 56 LEU HD2 H 0.745 0.020 2 601 56 56 LEU HG H 1.731 0.020 1 602 56 56 LEU CA C 58.551 0.300 1 603 56 56 LEU CB C 40.034 0.300 1 604 56 56 LEU CD1 C 23.176 0.300 2 605 56 56 LEU CD2 C 26.723 0.300 2 606 56 56 LEU CG C 26.576 0.300 1 607 56 56 LEU N N 115.531 0.300 1 608 57 57 SER H H 8.506 0.020 1 609 57 57 SER HA H 4.229 0.020 1 610 57 57 SER HB2 H 3.747 0.020 2 611 57 57 SER HB3 H 3.838 0.020 2 612 57 57 SER CA C 61.115 0.300 1 613 57 57 SER CB C 62.469 0.300 1 614 57 57 SER N N 111.067 0.300 1 615 58 58 ASP H H 8.033 0.020 1 616 58 58 ASP HA H 4.266 0.020 1 617 58 58 ASP HB2 H 2.282 0.020 2 618 58 58 ASP HB3 H 3.016 0.020 2 619 58 58 ASP CA C 57.338 0.300 1 620 58 58 ASP CB C 40.233 0.300 1 621 58 58 ASP N N 122.415 0.300 1 622 59 59 TYR H H 7.275 0.020 1 623 59 59 TYR HA H 4.674 0.020 1 624 59 59 TYR HB2 H 2.532 0.020 2 625 59 59 TYR HB3 H 3.477 0.020 2 626 59 59 TYR HD1 H 7.252 0.020 3 627 59 59 TYR HD2 H 7.252 0.020 3 628 59 59 TYR HE1 H 6.907 0.020 3 629 59 59 TYR HE2 H 6.907 0.020 3 630 59 59 TYR CA C 58.296 0.300 1 631 59 59 TYR CB C 39.948 0.300 1 632 59 59 TYR CD1 C 133.504 0.300 3 633 59 59 TYR CE1 C 118.736 0.300 3 634 59 59 TYR N N 113.435 0.300 1 635 60 60 ASN H H 8.210 0.020 1 636 60 60 ASN HA H 4.349 0.020 1 637 60 60 ASN HB2 H 2.824 0.020 2 638 60 60 ASN HB3 H 3.329 0.020 2 639 60 60 ASN HD21 H 6.892 0.020 2 640 60 60 ASN HD22 H 7.650 0.020 2 641 60 60 ASN CA C 54.123 0.300 1 642 60 60 ASN CB C 37.278 0.300 1 643 60 60 ASN N N 113.549 0.300 1 644 60 60 ASN ND2 N 109.419 0.300 1 645 61 61 ILE H H 7.403 0.020 1 646 61 61 ILE HA H 3.338 0.020 1 647 61 61 ILE HB H 1.373 0.020 1 648 61 61 ILE HD1 H 0.423 0.020 1 649 61 61 ILE HG12 H -0.643 0.020 2 650 61 61 ILE HG13 H 1.059 0.020 2 651 61 61 ILE HG2 H 0.460 0.020 1 652 61 61 ILE CA C 62.511 0.300 1 653 61 61 ILE CB C 36.679 0.300 1 654 61 61 ILE CD1 C 14.788 0.300 1 655 61 61 ILE CG1 C 28.018 0.300 1 656 61 61 ILE CG2 C 17.348 0.300 1 657 61 61 ILE N N 116.876 0.300 1 658 62 62 GLN H H 7.685 0.020 1 659 62 62 GLN HA H 4.471 0.020 1 660 62 62 GLN HB2 H 1.892 0.020 2 661 62 62 GLN HB3 H 2.241 0.020 2 662 62 62 GLN HE21 H 6.889 0.020 2 663 62 62 GLN HE22 H 7.367 0.020 2 664 62 62 GLN HG2 H 2.283 0.020 2 665 62 62 GLN HG3 H 2.345 0.020 2 666 62 62 GLN CA C 53.516 0.300 1 667 62 62 GLN CB C 31.648 0.300 1 668 62 62 GLN CG C 33.272 0.300 1 669 62 62 GLN N N 122.562 0.300 1 670 62 62 GLN NE2 N 110.161 0.300 1 671 63 63 LYS H H 8.548 0.020 1 672 63 63 LYS HA H 3.955 0.020 1 673 63 63 LYS HB2 H 1.892 0.020 2 674 63 63 LYS HB3 H 2.053 0.020 2 675 63 63 LYS HD2 H 1.734 0.020 2 676 63 63 LYS HD3 H 1.734 0.020 2 677 63 63 LYS HE2 H 3.029 0.020 2 678 63 63 LYS HE3 H 3.029 0.020 2 679 63 63 LYS HG2 H 1.490 0.020 2 680 63 63 LYS HG3 H 1.490 0.020 2 681 63 63 LYS CA C 57.875 0.300 1 682 63 63 LYS CB C 32.529 0.300 1 683 63 63 LYS CD C 29.753 0.300 1 684 63 63 LYS CE C 42.014 0.300 1 685 63 63 LYS CG C 23.890 0.300 1 686 63 63 LYS N N 118.229 0.300 1 687 64 64 GLU H H 9.394 0.020 1 688 64 64 GLU HA H 3.362 0.020 1 689 64 64 GLU HB2 H 2.409 0.020 2 690 64 64 GLU HB3 H 2.553 0.020 2 691 64 64 GLU HG2 H 2.252 0.020 2 692 64 64 GLU HG3 H 2.252 0.020 2 693 64 64 GLU CA C 58.262 0.300 1 694 64 64 GLU CB C 25.926 0.300 1 695 64 64 GLU CG C 37.190 0.300 1 696 64 64 GLU N N 112.605 0.300 1 697 65 65 SER H H 7.773 0.020 1 698 65 65 SER HA H 4.614 0.020 1 699 65 65 SER HB2 H 3.663 0.020 2 700 65 65 SER HB3 H 3.933 0.020 2 701 65 65 SER CA C 60.923 0.300 1 702 65 65 SER CB C 64.989 0.300 1 703 65 65 SER N N 112.800 0.300 1 704 66 66 THR H H 8.743 0.020 1 705 66 66 THR HA H 5.302 0.020 1 706 66 66 THR HB H 3.980 0.020 1 707 66 66 THR HG2 H 0.873 0.020 1 708 66 66 THR CA C 62.343 0.300 1 709 66 66 THR CB C 70.295 0.300 1 710 66 66 THR CG2 C 21.454 0.300 1 711 66 66 THR N N 114.987 0.300 1 712 67 67 LEU H H 9.396 0.020 1 713 67 67 LEU HA H 4.988 0.020 1 714 67 67 LEU HB2 H 1.560 0.020 2 715 67 67 LEU HB3 H 1.653 0.020 2 716 67 67 LEU HD1 H 0.638 0.020 2 717 67 67 LEU HD2 H 0.683 0.020 2 718 67 67 LEU HG H 1.758 0.020 1 719 67 67 LEU CA C 53.746 0.300 1 720 67 67 LEU CB C 44.572 0.300 1 721 67 67 LEU CD1 C 25.426 0.300 2 722 67 67 LEU CD2 C 24.831 0.300 2 723 67 67 LEU CG C 29.689 0.300 1 724 67 67 LEU N N 125.642 0.300 1 725 68 68 HIS H H 9.164 0.020 1 726 68 68 HIS HA H 5.544 0.020 1 727 68 68 HIS HB2 H 2.634 0.020 2 728 68 68 HIS HB3 H 2.845 0.020 2 729 68 68 HIS HD2 H 6.818 0.020 1 730 68 68 HIS HE1 H 7.586 0.020 1 731 68 68 HIS CA C 56.573 0.300 1 732 68 68 HIS CB C 32.816 0.300 1 733 68 68 HIS CD2 C 119.483 0.300 1 734 68 68 HIS CE1 C 138.173 0.300 1 735 68 68 HIS N N 116.015 0.300 1 736 69 69 LEU H H 8.532 0.020 1 737 69 69 LEU HA H 5.310 0.020 1 738 69 69 LEU HB2 H 1.080 0.020 2 739 69 69 LEU HB3 H 1.476 0.020 2 740 69 69 LEU HD1 H 0.724 0.020 2 741 69 69 LEU HD2 H 0.821 0.020 2 742 69 69 LEU HG H 1.330 0.020 1 743 69 69 LEU CA C 53.244 0.300 1 744 69 69 LEU CB C 44.851 0.300 1 745 69 69 LEU CD1 C 26.042 0.300 2 746 69 69 LEU CD2 C 23.648 0.300 2 747 69 69 LEU CG C 27.739 0.300 1 748 69 69 LEU N N 121.946 0.300 1 749 70 70 VAL H H 8.982 0.020 1 750 70 70 VAL HA H 4.374 0.020 1 751 70 70 VAL HB H 1.837 0.020 1 752 70 70 VAL HG1 H 0.876 0.020 2 753 70 70 VAL HG2 H 1.024 0.020 2 754 70 70 VAL CA C 60.771 0.300 1 755 70 70 VAL CB C 34.815 0.300 1 756 70 70 VAL CG1 C 21.805 0.300 2 757 70 70 VAL CG2 C 21.821 0.300 2 758 70 70 VAL N N 124.540 0.300 1 759 71 71 LEU H H 9.082 0.020 1 760 71 71 LEU HA H 4.968 0.020 1 761 71 71 LEU HB2 H 1.598 0.020 2 762 71 71 LEU HB3 H 1.769 0.020 2 763 71 71 LEU HD1 H 0.851 0.020 2 764 71 71 LEU HD2 H 0.977 0.020 2 765 71 71 LEU HG H 1.809 0.020 1 766 71 71 LEU CA C 54.618 0.300 1 767 71 71 LEU CB C 41.706 0.300 1 768 71 71 LEU CD1 C 23.631 0.300 2 769 71 71 LEU CD2 C 25.171 0.300 2 770 71 71 LEU CG C 27.774 0.300 1 771 71 71 LEU N N 125.441 0.300 1 772 72 72 ARG H H 8.665 0.020 1 773 72 72 ARG HA H 4.178 0.020 1 774 72 72 ARG HB2 H 1.587 0.020 2 775 72 72 ARG HB3 H 1.790 0.020 2 776 72 72 ARG HD2 H 3.230 0.020 2 777 72 72 ARG HD3 H 3.230 0.020 2 778 72 72 ARG HE H 7.160 0.020 1 779 72 72 ARG HG2 H 1.547 0.020 2 780 72 72 ARG HG3 H 1.547 0.020 2 781 72 72 ARG CA C 56.602 0.300 1 782 72 72 ARG CB C 31.198 0.300 1 783 72 72 ARG CD C 43.285 0.300 1 784 72 72 ARG CG C 28.359 0.300 1 785 72 72 ARG N N 120.040 0.300 1 786 72 72 ARG NE N 81.696 0.300 1 787 73 73 LEU H H 8.660 0.020 1 788 73 73 LEU HA H 4.314 0.020 1 789 73 73 LEU HB2 H 1.527 0.020 2 790 73 73 LEU HB3 H 1.643 0.020 2 791 73 73 LEU HD1 H 0.835 0.020 2 792 73 73 LEU HD2 H 0.870 0.020 2 793 73 73 LEU HG H 1.643 0.020 1 794 73 73 LEU CA C 55.067 0.300 1 795 73 73 LEU CB C 41.967 0.300 1 796 73 73 LEU CD1 C 23.341 0.300 2 797 73 73 LEU CD2 C 25.243 0.300 2 798 73 73 LEU CG C 27.123 0.300 1 799 73 73 LEU N N 121.484 0.300 1 800 74 74 ARG H H 8.554 0.020 1 801 74 74 ARG HA H 4.317 0.020 1 802 74 74 ARG HB2 H 1.783 0.020 2 803 74 74 ARG HB3 H 1.867 0.020 2 804 74 74 ARG HD2 H 3.209 0.020 2 805 74 74 ARG HD3 H 3.209 0.020 2 806 74 74 ARG HE H 7.317 0.020 1 807 74 74 ARG HG2 H 1.647 0.020 2 808 74 74 ARG HG3 H 1.647 0.020 2 809 74 74 ARG CA C 56.394 0.300 1 810 74 74 ARG CB C 30.859 0.300 1 811 74 74 ARG CD C 43.286 0.300 1 812 74 74 ARG CG C 27.030 0.300 1 813 74 74 ARG N N 119.586 0.300 1 814 74 74 ARG NE N 82.088 0.300 1 815 75 75 GLY H H 8.581 0.020 1 816 75 75 GLY HA2 H 3.972 0.020 2 817 75 75 GLY HA3 H 3.972 0.020 2 818 75 75 GLY CA C 45.182 0.300 1 819 75 75 GLY N N 108.783 0.300 1 820 76 76 GLY H H 8.047 0.020 1 821 76 76 GLY HA2 H 3.753 0.020 2 822 76 76 GLY HA3 H 3.804 0.020 2 823 76 76 GLY CA C 45.972 0.300 1 824 76 76 GLY N N 112.764 0.300 1 stop_ save_