data_19394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the human Polymerase iota UBM1-Ubiquitin Complex ; _BMRB_accession_number 19394 _BMRB_flat_file_name bmr19394.str _Entry_type original _Submission_date 2013-07-29 _Accession_date 2013-07-29 _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 Wang Su . . 2 Zhou Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1045 "13C chemical shifts" 582 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-02 original author . stop_ _Original_release_date 2014-06-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sparsely-sampled, high-resolution 4-D omit spectra for detection and assignment of intermolecular NOEs of protein complexes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24789524 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Su . . 2 Zhou Pei . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 59 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 56 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Polymerase iota UBM1-Ubiquitin Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GB1-UBM1 $GB1-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_GB1-UBM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GB1-UBM1 _Molecular_mass 4290.950 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSNE FPLCSLPEGVDQEVFKQLPV DIQEEILSGKSREKFQGKLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 ILE 7 LEU 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 57 GLY 58 SER 59 ASN 60 GLU 61 PHE 62 PRO 63 LEU 64 CYS 65 SER 66 LEU 67 PRO 68 GLU 69 GLY 70 VAL 71 ASP 72 GLN 73 GLU 74 VAL 75 PHE 76 LYS 77 GLN 78 LEU 79 PRO 80 VAL 81 ASP 82 ILE 83 GLN 84 GLU 85 GLU 86 ILE 87 LEU 88 SER 89 GLY 90 LYS 91 SER 92 ARG 93 GLU 94 LYS 95 PHE 96 GLN 97 GLY 98 LYS 99 LEU 100 GLU 101 HIS 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 15156 GB1 52.83 56 100.00 100.00 2.40e-30 BMRB 15380 GB1 52.83 56 100.00 100.00 2.40e-30 BMRB 16444 SC35 55.66 158 98.31 100.00 2.99e-31 BMRB 16627 Protein_GB1_(2Q6I) 52.83 56 100.00 100.00 2.40e-30 BMRB 16873 GB1 52.83 56 100.00 100.00 2.40e-30 BMRB 17810 entity 52.83 56 100.00 100.00 2.40e-30 BMRB 18397 GB1 52.83 56 100.00 100.00 2.40e-30 BMRB 26630 Protein_G_Domain_Beta-1_Wild_Type 52.83 64 98.21 98.21 2.85e-29 PDB 1GB1 "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" 52.83 56 98.21 98.21 2.07e-29 PDB 1IBX "Nmr Structure Of Dff40 And Dff45 N-Terminal Domain Complex" 53.77 145 98.25 98.25 6.83e-30 PDB 1PGA "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr" 52.83 56 98.21 98.21 2.07e-29 PDB 1PGB "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr" 52.83 56 98.21 98.21 2.07e-29 PDB 1PN5 "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" 54.72 159 100.00 100.00 3.10e-31 PDB 2GB1 "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" 52.83 56 98.21 98.21 2.07e-29 PDB 2GI9 "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" 52.83 56 100.00 100.00 2.40e-30 PDB 2I2Y "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc" 54.72 150 100.00 100.00 9.38e-31 PDB 2I38 "Solution Structure Of The Rrm Of Srp20" 54.72 150 100.00 100.00 9.69e-31 PDB 2JSV "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" 52.83 56 100.00 100.00 2.40e-30 PDB 2JU6 "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy" 52.83 56 100.00 100.00 2.40e-30 PDB 2K0P "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts" 52.83 56 100.00 100.00 2.40e-30 PDB 2KLK "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs" 52.83 56 98.21 98.21 3.05e-29 PDB 2KN4 "The Structure Of The Rrm Domain Of Sc35" 55.66 158 98.31 100.00 2.99e-31 PDB 2KQ4 "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" 52.83 56 100.00 100.00 2.40e-30 PDB 2KWD "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy" 52.83 56 100.00 100.00 2.40e-30 PDB 2LGI "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors" 52.83 56 100.00 100.00 2.40e-30 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 100.00 106 100.00 100.00 1.83e-71 PDB 2PLP "Ultra High Resolution Backbone Conformation Of Protein Gb1 From Residual Dipolar Couplings Alone" 50.00 54 100.00 100.00 1.02e-27 PDB 2QMT "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction" 52.83 56 100.00 100.00 2.40e-30 PDB 2RMM "Solution Structure Of Gb1 A34f Mutant" 52.83 56 98.21 98.21 3.05e-29 PDB 3GB1 "Structures Of B1 Domain Of Streptococcal Protein G" 52.83 56 98.21 98.21 2.07e-29 PDB 3MP9 "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0" 50.94 64 100.00 100.00 2.22e-28 PDB 3UI3 "Structural And Biochemical Characterization Of Hp0315 From Helicobacter Pylori As A Vapd Protein With An Endoribonuclease Activ" 53.77 160 100.00 100.00 4.36e-30 PDB 4Q0C "3.1 A Resolution Crystal Structure Of The B. Pertussis Bvgs Periplasmic Domain" 52.83 584 98.21 98.21 7.05e-28 GB AAY41168 "protein G/SspDnaE fusion protein [Expression vector pJJDuet30]" 54.72 201 98.28 100.00 3.65e-30 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 79 _Mol_residue_sequence ; GSHMQIFVKTLTGKTITLEV EPSDTIENVKAKIQDKEGIP PDQQRLIFAGKQLEDGRTLS DYNIQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 198 GLY 2 199 SER 3 200 HIS 4 201 MET 5 202 GLN 6 203 ILE 7 204 PHE 8 205 VAL 9 206 LYS 10 207 THR 11 208 LEU 12 209 THR 13 210 GLY 14 211 LYS 15 212 THR 16 213 ILE 17 214 THR 18 215 LEU 19 216 GLU 20 217 VAL 21 218 GLU 22 219 PRO 23 220 SER 24 221 ASP 25 222 THR 26 223 ILE 27 224 GLU 28 225 ASN 29 226 VAL 30 227 LYS 31 228 ALA 32 229 LYS 33 230 ILE 34 231 GLN 35 232 ASP 36 233 LYS 37 234 GLU 38 235 GLY 39 236 ILE 40 237 PRO 41 238 PRO 42 239 ASP 43 240 GLN 44 241 GLN 45 242 ARG 46 243 LEU 47 244 ILE 48 245 PHE 49 246 ALA 50 247 GLY 51 248 LYS 52 249 GLN 53 250 LEU 54 251 GLU 55 252 ASP 56 253 GLY 57 254 ARG 58 255 THR 59 256 LEU 60 257 SER 61 258 ASP 62 259 TYR 63 260 ASN 64 261 ILE 65 262 GLN 66 263 LYS 67 264 GLU 68 265 SER 69 266 THR 70 267 LEU 71 268 HIS 72 269 LEU 73 270 VAL 74 271 LEU 75 272 ARG 76 273 LEU 77 274 ARG 78 275 GLY 79 276 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11505 entity 96.20 76 98.68 98.68 2.52e-45 BMRB 11547 ubiquitin 96.20 76 98.68 98.68 2.52e-45 BMRB 15047 denatured_ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 15410 Ubi 96.20 76 100.00 100.00 4.71e-46 BMRB 15689 UBB 94.94 103 98.67 100.00 5.80e-44 BMRB 15866 ubiquitin 94.94 76 100.00 100.00 3.06e-45 BMRB 15907 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16228 ubiquitin 96.20 76 97.37 98.68 1.32e-44 BMRB 16582 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16626 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16763 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16880 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16885 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 16895 UBB+1 94.94 103 98.67 100.00 5.80e-44 BMRB 17059 ubiquitin 96.20 156 100.00 100.00 6.92e-46 BMRB 17181 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 17239 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 17333 UB 96.20 76 100.00 100.00 4.71e-46 BMRB 17439 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 17769 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 17919 entity 96.20 76 100.00 100.00 4.71e-46 BMRB 18582 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 18583 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 18584 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 18610 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 18611 Ubiquitin_A_state 96.20 76 100.00 100.00 4.71e-46 BMRB 18737 UBIQUITIN 96.20 76 100.00 100.00 4.71e-46 BMRB 19399 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 19406 entity 96.20 152 100.00 100.00 4.68e-45 BMRB 19412 entity 96.20 152 100.00 100.00 4.68e-45 BMRB 19447 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 25070 Ubiquitin 100.00 79 100.00 100.00 1.02e-48 BMRB 25230 Ubiquitin 98.73 78 100.00 100.00 6.76e-48 BMRB 4245 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 4375 Ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 4983 Ubiquitin 94.94 76 97.33 100.00 3.82e-44 BMRB 5101 uq1_51 65.82 53 98.08 98.08 1.89e-26 BMRB 5387 ubq 96.20 76 100.00 100.00 4.71e-46 BMRB 6457 Ub 96.20 76 100.00 100.00 4.71e-46 BMRB 6466 Ub 96.20 76 100.00 100.00 4.71e-46 BMRB 6470 Ub 96.20 76 100.00 100.00 4.71e-46 BMRB 6488 Ub 96.20 76 100.00 100.00 4.71e-46 BMRB 68 ubiquitin 96.20 76 100.00 100.00 4.71e-46 BMRB 7111 human_ubiquitin 96.20 76 100.00 100.00 4.71e-46 PDB 1AAR "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)" 96.20 76 100.00 100.00 4.71e-46 PDB 1CMX "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases" 94.94 76 100.00 100.00 3.20e-45 PDB 1D3Z "Ubiquitin Nmr Structure" 96.20 76 100.00 100.00 4.71e-46 PDB 1F9J "Structure Of A New Crystal Form Of Tetraubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 1G6J "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles" 94.94 76 100.00 100.00 4.58e-45 PDB 1GJZ "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin" 65.82 53 98.08 98.08 1.89e-26 PDB 1NBF "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 3.20e-45 PDB 1OGW "Synthetic Ubiquitin With Fluoro-Leu At 50 And 67" 96.20 76 97.37 97.37 2.29e-44 PDB 1P3Q "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9" 96.20 76 100.00 100.00 4.71e-46 PDB 1Q5W "Ubiquitin Recognition By Npl4 Zinc-Fingers" 96.20 76 100.00 100.00 4.71e-46 PDB 1S1Q "Tsg101(Uev) Domain In Complex With Ubiquitin" 94.94 76 100.00 100.00 4.58e-45 PDB 1TBE "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed" 96.20 76 100.00 100.00 4.71e-46 PDB 1UBI "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1" 96.20 76 100.00 100.00 4.71e-46 PDB 1UBQ "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution" 96.20 76 100.00 100.00 4.71e-46 PDB 1UZX "A Complex Of The Vps23 Uev With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 1V80 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 96.20 76 100.00 100.00 4.71e-46 PDB 1V81 "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar" 96.20 76 100.00 100.00 4.71e-46 PDB 1VX7 "Cryo-em Structure Of The Plasmodium Falciparum 80s Ribosome Bound To The Anti-protozoan Drug Emetine, Large Subunit (protein On" 96.20 128 98.68 100.00 9.91e-46 PDB 1WR6 "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 1WRD "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 94.94 75 100.00 100.00 3.11e-45 PDB 1XQQ "Simultaneous Determination Of Protein Structure And Dynamics" 96.20 76 100.00 100.00 4.71e-46 PDB 1YD8 "Complex Of Human Gga3 Gat Domain And Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 1YIW "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin" 96.20 76 98.68 100.00 2.09e-45 PDB 1YJ1 "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin" 96.20 76 97.37 98.68 2.32e-44 PDB 1YX5 "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX" 96.20 98 100.00 100.00 2.87e-46 PDB 1YX6 "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX" 96.20 98 100.00 100.00 2.87e-46 PDB 1ZGU "Solution Structure Of The Human Mms2-Ubiquitin Complex" 96.20 76 98.68 100.00 1.30e-45 PDB 2AYO "Structure Of Usp14 Bound To Ubquitin Aldehyde" 94.94 76 100.00 100.00 3.20e-45 PDB 2BGF "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data" 96.20 76 100.00 100.00 4.71e-46 PDB 2C7M "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2C7N "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2D3G "Double Sided Ubiquitin Binding Of Hrs-Uim" 96.20 76 100.00 100.00 4.71e-46 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2DX5 "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2FCM "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 2.32e-44 PDB 2FCN "X-Ray Crystal Structure Of A Chemically Synthesized [d-Val35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 2.32e-44 PDB 2FCQ "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group" 96.20 76 98.68 100.00 2.09e-45 PDB 2FCS "X-Ray Crystal Structure Of A Chemically Synthesized [l-Gln35]ubiquitin With A Cubic Space Group" 96.20 76 97.37 98.68 2.61e-44 PDB 2FID "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2FIF "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 2G45 "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2GMI Mms2UBC13~UBIQUITIN 96.20 76 100.00 100.00 4.71e-46 PDB 2HD5 "Usp2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2HTH "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain" 96.20 76 100.00 100.00 4.71e-46 PDB 2IBI "Covalent Ubiquitin-Usp2 Complex" 94.94 75 100.00 100.00 3.11e-45 PDB 2J7Q "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U" 94.94 75 100.00 100.00 3.11e-45 PDB 2JF5 "Crystal Structure Of Lys63-Linked Di-Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 96.20 76 100.00 100.00 4.71e-46 PDB 2JY6 "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain" 96.20 76 100.00 100.00 4.71e-46 PDB 2JZZ "Solid-State Nmr Structure Of Microcrystalline Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2K25 "Automated Nmr Structure Of The Ubb By Fapsy" 94.94 103 98.67 100.00 5.80e-44 PDB 2K39 "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution" 96.20 76 100.00 100.00 4.71e-46 PDB 2K6D "Cin85 Sh3-C Domain In Complex With Ubiquitin" 94.94 76 100.00 100.00 3.06e-45 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KDE "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" 96.20 76 100.00 100.00 4.71e-46 PDB 2KDF "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" 96.20 76 100.00 100.00 4.71e-46 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 100.00 79 100.00 100.00 1.02e-48 PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 94.94 76 100.00 100.00 3.06e-45 PDB 2KLG "Pere Nmr Structure Of Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KN5 "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its " 96.20 76 100.00 100.00 4.71e-46 PDB 2KOX "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KTF "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KWU "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KWV "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2KX0 "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B" 94.94 103 98.67 100.00 5.80e-44 PDB 2L0F "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 96.20 76 100.00 100.00 4.71e-46 PDB 2L3Z "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2LD9 "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs" 96.20 77 100.00 100.00 6.29e-46 PDB 2LJ5 "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings" 96.20 76 100.00 100.00 4.71e-46 PDB 2LVO "Structure Of The Gp78cue Domain Bound To Monubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2LVP "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2LVQ "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2LZ6 "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 96.20 76 100.00 100.00 4.71e-46 PDB 2MBB "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" 98.73 78 100.00 100.00 6.76e-48 PDB 2MBH "Nmr Structure Of Eklf(22-40)/ubiquitin Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 2MBO "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl" 96.20 76 100.00 100.00 4.71e-46 PDB 2MBQ "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl" 96.20 76 100.00 100.00 4.71e-46 PDB 2MCN "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" 96.20 76 100.00 100.00 4.71e-46 PDB 2MJ5 "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2MJB "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media" 96.20 76 100.00 100.00 4.71e-46 PDB 2MOR "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings" 96.20 76 100.00 100.00 4.71e-46 PDB 2MRE "Nmr Structure Of The Rad18-ubz/ubiquitin Complex" 100.00 79 100.00 100.00 1.02e-48 PDB 2MUR "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex" 98.73 78 100.00 100.00 6.76e-48 PDB 2NR2 "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote" 96.20 76 100.00 100.00 4.71e-46 PDB 2O6V "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph" 96.20 76 100.00 100.00 4.71e-46 PDB 2OJR "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag" 96.20 111 100.00 100.00 2.03e-45 PDB 2OOB "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2PE9 "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso" 96.20 76 100.00 100.00 4.71e-46 PDB 2PEA "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten" 96.20 76 100.00 100.00 4.71e-46 PDB 2QHO "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 2RSU "Alternative Structure Of Ubiquitin" 96.20 76 98.68 98.68 2.52e-45 PDB 2RU6 "The Pure Alternative State Of Ubiquitin" 96.20 76 98.68 98.68 2.52e-45 PDB 2W9N "Crystal Structure Of Linear Di-Ubiquitin" 94.94 152 100.00 100.00 4.56e-44 PDB 2WDT "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme" 94.94 76 100.00 100.00 3.20e-45 PDB 2WWZ "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121" 96.20 76 100.00 100.00 4.71e-46 PDB 2WX0 "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21" 96.20 76 100.00 100.00 4.71e-46 PDB 2WX1 "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121" 96.20 76 100.00 100.00 4.71e-46 PDB 2XBB "Nedd4 Hect:ub Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 2XEW "Crystal Structure Of K11-Linked Diubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2XK5 "Crystal Structure Of K6-Linked Diubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2Y5B "Structure Of Usp21 In Complex With Linear Diubiquitin-Aldehyde" 94.94 152 100.00 100.00 3.22e-44 PDB 2Z59 "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 2ZCB "Crystal Structure Of Ubiquitin P37aP38A" 96.20 76 97.37 97.37 2.67e-44 PDB 2ZCC "Ubiquitin Crystallized Under High Pressure" 96.20 76 100.00 100.00 4.71e-46 PDB 2ZNV "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer" 96.20 77 100.00 100.00 6.15e-46 PDB 2ZVN "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group" 96.20 154 100.00 100.00 4.75e-45 PDB 2ZVO "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group" 96.20 154 100.00 100.00 4.75e-45 PDB 3A1Q "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 6.15e-46 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 96.20 76 100.00 100.00 4.71e-46 PDB 3A9J "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 6.15e-46 PDB 3A9K "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin" 96.20 77 100.00 100.00 6.15e-46 PDB 3AI5 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein" 93.67 307 100.00 100.00 1.33e-41 PDB 3ALB "Cyclic Lys48-Linked Tetraubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3AUL "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation" 96.20 76 100.00 100.00 4.71e-46 PDB 3AXC "Crystal Structure Of Linear Diubiquitin" 96.20 154 100.00 100.00 4.75e-45 PDB 3B08 "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 96.20 152 100.00 100.00 4.68e-45 PDB 3B0A "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin" 96.20 152 100.00 100.00 4.68e-45 PDB 3BY4 "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 94.94 75 100.00 100.00 3.11e-45 PDB 3C0R "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin" 94.94 75 100.00 100.00 3.11e-45 PDB 3DVG "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin" 100.00 80 100.00 100.00 1.28e-48 PDB 3DVN "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin" 100.00 80 100.00 100.00 1.28e-48 PDB 3EEC "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct" 96.20 76 100.00 100.00 4.71e-46 PDB 3EFU "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct" 96.20 76 100.00 100.00 4.71e-46 PDB 3EHV "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct" 96.20 76 100.00 100.00 4.71e-46 PDB 3H1U "Structure Of Ubiquitin In Complex With Cd Ions" 96.20 76 100.00 100.00 4.71e-46 PDB 3H7P "Crystal Structure Of K63-Linked Di-Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3H7S "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture" 96.20 76 98.68 98.68 2.25e-43 PDB 3HM3 "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3I3T "Crystal Structure Of Covalent Ubiquitin-usp21 Complex" 94.94 75 100.00 100.00 3.11e-45 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 94.94 75 100.00 100.00 3.11e-45 PDB 3IHP "Covalent Ubiquitin-Usp5 Complex" 94.94 75 100.00 100.00 3.11e-45 PDB 3JSV "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin" 96.20 77 100.00 100.00 6.15e-46 PDB 3JVZ E2~ubiquitin-Hect 100.00 81 97.47 97.47 1.01e-46 PDB 3JW0 E2~ubiquitin-Hect 100.00 81 97.47 97.47 1.01e-46 PDB 3K9O "The Crystal Structure Of E2-25k And Ubb+1 Complex" 94.94 96 100.00 100.00 1.17e-44 PDB 3K9P "The Crystal Structure Of E2-25k And Ubiquitin Complex" 100.00 79 100.00 100.00 1.02e-48 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 94.94 75 100.00 100.00 3.11e-45 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 94.94 75 100.00 100.00 3.11e-45 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 92.41 73 100.00 100.00 1.47e-43 PDB 3M3J "A New Crystal Form Of Lys48-Linked Diubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 94.94 76 100.00 100.00 3.20e-45 PDB 3MTN "Usp21 In Complex With A Ubiquitin-based, Usp21-specific Inhibitor" 88.61 85 98.57 98.57 1.69e-40 PDB 3N30 "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct" 96.20 76 100.00 100.00 4.71e-46 PDB 3N32 "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt" 96.20 76 100.00 100.00 4.71e-46 PDB 3NHE "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3NOB "Structure Of K11-linked Di-ubiquitin" 98.73 78 100.00 100.00 6.76e-48 PDB 3NS8 "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5" 96.20 76 100.00 100.00 4.71e-46 PDB 3O65 "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity" 94.94 76 100.00 100.00 3.20e-45 PDB 3OFI "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3OJ3 "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex" 100.00 79 100.00 100.00 1.02e-48 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 100.00 79 100.00 100.00 1.02e-48 PDB 3ONS "Crystal Structure Of Human Ubiquitin In A New Crystal Form" 91.14 72 100.00 100.00 5.68e-43 PDB 3PHD "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3PHW "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin" 94.94 75 100.00 100.00 3.11e-45 PDB 3PRM "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 94.94 75 100.00 100.00 3.11e-45 PDB 3PRP "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui" 94.94 75 100.00 100.00 3.11e-45 PDB 3PT2 "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin" 94.94 75 100.00 100.00 3.11e-45 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 100.00 79 100.00 100.00 1.02e-48 PDB 3Q3F "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas" 94.94 189 100.00 100.00 4.16e-44 PDB 3RUL "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes" 94.94 79 100.00 100.00 3.44e-45 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 96.20 76 100.00 100.00 4.71e-46 PDB 3TMP "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 3.20e-45 PDB 3U30 "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin" 96.20 172 100.00 100.00 6.72e-45 PDB 3UGB "Ubch5c~ubiquitin Conjugate" 96.20 76 100.00 100.00 4.71e-46 PDB 3VDZ "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms" 96.20 111 100.00 100.00 9.90e-46 PDB 3VFK "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier" 94.94 79 100.00 100.00 3.44e-45 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3VUW "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I" 96.20 76 100.00 100.00 4.71e-46 PDB 3VUX "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii" 96.20 76 100.00 100.00 4.71e-46 PDB 3VUY "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 3ZLZ "Lys6-linked Tri-ubiquitin" 96.20 76 98.68 100.00 1.30e-45 PDB 3ZNH "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl." 94.94 76 100.00 100.00 3.20e-45 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 100.00 81 97.47 97.47 1.01e-46 PDB 3ZNZ "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin" 96.20 152 100.00 100.00 4.68e-45 PDB 4A18 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 1" 96.20 129 97.37 98.68 1.52e-44 PDB 4A19 "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 2" 96.20 129 97.37 98.68 1.52e-44 PDB 4A1B "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 3" 96.20 129 97.37 98.68 1.52e-44 PDB 4A1D "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 4" 96.20 129 97.37 98.68 1.52e-44 PDB 4ADX "The Cryo-em Structure Of The Archaeal 50s Ribosomal Subunit In Complex With Initiation Factor 6" 96.20 129 97.37 98.68 1.52e-44 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 96.20 80 100.00 100.00 5.26e-46 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex." 100.00 81 97.47 97.47 1.01e-46 PDB 4BBN "Nedd4 Hect-ub:ub Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 4BOS "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide" 96.20 76 100.00 100.00 4.71e-46 PDB 4BOZ "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 4BVU "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate" 96.20 76 100.00 100.00 4.71e-46 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 96.20 156 100.00 100.00 6.92e-46 PDB 4CXD "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 96.20 128 100.00 100.00 3.94e-46 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 96.20 76 100.00 100.00 4.71e-46 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 96.20 76 100.00 100.00 4.71e-46 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 94.94 76 100.00 100.00 3.06e-45 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 94.94 76 100.00 100.00 3.06e-45 PDB 4FJV "Crystal Structure Of Human Otubain2 And Ubiquitin Complex" 98.73 86 98.72 100.00 2.68e-47 PDB 4HXD "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases" 94.94 75 100.00 100.00 3.11e-45 PDB 4I6N "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester" 93.67 75 100.00 100.00 3.16e-44 PDB 4IG7 "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester" 94.94 75 100.00 100.00 3.11e-45 PDB 4IUM "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin" 94.94 76 100.00 100.00 3.20e-45 PDB 4JIO "Bro1 V Domain And Ubiquitin" 96.20 76 98.68 98.68 3.31e-45 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 4K1R "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin" 96.20 81 100.00 100.00 8.46e-46 PDB 4K7S "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 4.71e-46 PDB 4K7U "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 4.71e-46 PDB 4K7W "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub" 96.20 76 100.00 100.00 4.71e-46 PDB 4KSK "Gumby/fam105b In Complex With Ubiquitin" 96.20 80 100.00 100.00 5.26e-46 PDB 4KSL "Gumby/fam105b In Complex With Linear Di-ubiquitin" 96.20 156 100.00 100.00 5.03e-45 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 96.20 156 100.00 100.00 6.92e-46 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 96.20 156 100.00 100.00 6.92e-46 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 96.20 156 100.00 100.00 6.92e-46 PDB 4LCD "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3" 94.94 83 100.00 100.00 1.66e-45 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 96.20 76 100.00 100.00 4.71e-46 PDB 4LJO "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 4LJP "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex" 96.20 76 100.00 100.00 4.71e-46 PDB 4M0W "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 4MDK "Cdc34-ubiquitin-cc0651 Complex" 96.20 80 100.00 100.00 5.26e-46 PDB 4MM3 "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde" 94.94 76 100.00 100.00 3.20e-45 PDB 4MSM "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin" 96.20 81 100.00 100.00 8.46e-46 PDB 4MSQ "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin" 96.20 81 100.00 100.00 8.46e-46 PDB 4NQK "Structure Of An Ubiquitin Complex" 100.00 79 97.47 97.47 3.04e-46 PDB 4NQL "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin" 96.20 77 100.00 100.00 6.15e-46 PDB 4P4H "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" 100.00 79 97.47 97.47 3.04e-46 PDB 4PIG "Crystal Structure Of The Ubiquitin K11s Mutant" 96.20 76 98.68 98.68 2.33e-45 PDB 4PIH "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin" 96.20 76 98.68 98.68 2.33e-45 PDB 4PIJ "X-ray Crystal Structure Of The K11s/k63s Double Mutant Of Ubiquitin" 94.94 75 97.33 97.33 5.88e-44 PDB 4PQT "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And" 96.20 81 100.00 100.00 8.46e-46 PDB 4RF0 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 94.94 75 100.00 100.00 3.11e-45 PDB 4RF1 "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro" 94.94 75 100.00 100.00 3.11e-45 PDB 4UN2 "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 4UPX "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 96.20 128 100.00 100.00 3.94e-46 PDB 4UQ1 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 96.20 128 100.00 100.00 3.94e-46 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 96.20 156 100.00 100.00 6.92e-46 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 96.20 156 100.00 100.00 6.92e-46 PDB 4W20 "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)" 96.20 128 100.00 100.00 3.94e-46 PDB 4W22 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 3.94e-46 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 96.20 156 100.00 100.00 6.92e-46 PDB 4W25 "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 3.94e-46 PDB 4W27 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)" 96.20 128 100.00 100.00 3.94e-46 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 96.20 156 100.00 100.00 6.92e-46 PDB 4WUR "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin" 96.20 76 100.00 100.00 4.71e-46 PDB 4WZP "Ser65 Phosphorylated Ubiquitin, Major Conformation" 96.20 76 98.68 98.68 3.38e-45 DBJ BAA03983 "polyubiquitin [Rattus norvegicus]" 96.20 305 100.00 100.00 2.52e-43 DBJ BAA09860 "polyubiquitin [Homo sapiens]" 96.20 611 98.68 98.68 1.41e-40 DBJ BAA11842 "ubiquitin [Cavia porcellus]" 96.20 311 100.00 100.00 2.86e-43 DBJ BAA11843 "ubiquitin extention protein [Cavia porcellus]" 96.20 156 100.00 100.00 6.92e-46 DBJ BAA23486 "polyubiquitin [Homo sapiens]" 96.20 609 98.68 98.68 6.14e-41 EMBL CAA26488 "unnamed protein product [Gallus gallus]" 96.20 157 98.68 98.68 2.75e-44 EMBL CAA28495 "ubiquitin [Homo sapiens]" 96.20 229 100.00 100.00 4.48e-44 EMBL CAA30183 "unnamed protein product [Dictyostelium discoideum]" 96.20 128 97.37 97.37 7.07e-44 EMBL CAA30815 "unnamed protein product [Cricetulus sp.]" 89.87 223 100.00 100.00 3.83e-40 EMBL CAA33466 "unnamed protein product [Chlamydomonas reinhardtii]" 96.20 128 97.37 98.68 1.46e-44 GB AAA02769 "polyprotein [Bovine viral diarrhea virus 1-Osloss]" 94.94 3975 97.33 100.00 2.15e-39 GB AAA28154 "polyubiquitin [Caenorhabditis elegans]" 96.20 838 97.37 98.68 9.15e-40 GB AAA28997 "ubiquitin [Drosophila melanogaster]" 96.20 231 100.00 100.00 3.61e-44 GB AAA28998 "ubiquitin-hybrid protein precursor [Drosophila melanogaster]" 96.20 156 100.00 100.00 1.10e-45 GB AAA28999 "ubiquitin, partial [Drosophila melanogaster]" 96.20 76 100.00 100.00 4.71e-46 PIR I50437 "polyubiquitin 4 - chicken [Gallus gallus]" 96.20 305 100.00 100.00 2.52e-43 PIR I51568 "polyubiquitin - African clawed frog (fragment)" 96.20 167 100.00 100.00 6.63e-45 PIR I65237 "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat" 96.20 128 100.00 100.00 3.94e-46 PIR JN0790 "ubiquitin/ribosomal protein CEP52 fusion protein - Leishmania major" 96.20 128 97.37 98.68 2.87e-45 PIR S13928 "ubiquitin precursor - chicken [Gallus gallus]" 96.20 229 100.00 100.00 3.73e-44 PRF 0412265A ubiquitin 94.94 75 98.67 98.67 1.21e-44 PRF 1212243A "ubiquitin S1" 96.20 76 100.00 100.00 4.71e-46 PRF 1212243B "ubiquitin S5" 88.61 77 98.57 98.57 8.13e-41 PRF 1212243C "ubiquitin S3" 96.20 76 100.00 100.00 4.71e-46 PRF 1212243D "ubiquitin S2" 88.61 77 98.57 98.57 9.36e-41 REF NP_001005123 "ubiquitin A-52 residue ribosomal protein fusion product 1 [Xenopus (Silurana) tropicalis]" 96.20 128 100.00 100.00 3.94e-46 REF NP_001006688 "ubiquitin C [Xenopus (Silurana) tropicalis]" 96.20 609 100.00 100.00 1.07e-41 REF NP_001009117 "polyubiquitin-B [Pan troglodytes]" 96.20 229 100.00 100.00 4.48e-44 REF NP_001009202 "polyubiquitin-B [Ovis aries]" 96.20 305 98.68 100.00 4.83e-43 REF NP_001009286 "ubiquitin-60S ribosomal protein L40 [Ovis aries]" 96.20 128 100.00 100.00 3.94e-46 SP P0C273 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 3.94e-46 SP P0C275 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 3.94e-46 SP P0C276 "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con" 96.20 128 100.00 100.00 3.94e-46 SP P0CG47 "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]" 96.20 229 100.00 100.00 4.48e-44 SP P0CG48 "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]" 96.20 685 100.00 100.00 1.59e-41 TPD FAA00319 "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" 96.20 456 97.37 98.68 9.91e-41 TPG DAA18802 "TPA: polyubiquitin [Bos taurus]" 96.20 305 100.00 100.00 2.75e-43 TPG DAA20663 "TPA: ubiquitin C [Bos taurus]" 94.94 314 98.67 100.00 8.43e-42 TPG DAA20672 "TPA: ubiquitin B-like [Bos taurus]" 96.20 77 98.68 98.68 4.00e-45 TPG DAA24675 "TPA: 40S ribosomal protein S27a [Bos taurus]" 96.20 156 100.00 100.00 6.92e-46 TPG DAA28295 "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]" 96.20 128 100.00 100.00 3.94e-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 _Details $GB1-UBM1 Human 9606 Eukaryota Metazoa Homo sapiens 'the residues 60-98 from the NMR construct correspond to human polymerase iota residues 491-529.' $ubiquitin Human 9606 Eukaryota Metazoa Homo sapiens 'the residues 201-276 from NMR construct correspond to human ubiquitin residues 1-76.' 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 $GB1-UBM1 'recombinant technology' . Escherichia coli . Pet30 $ubiquitin 'recombinant technology' . Escherichia coli . Pet15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GB1-UBM1 3 mM '[U-100% 15N]' $ubiquitin 3 mM '[U-100% 15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GB1-UBM1 3 mM '[U-100% 13C; U-100% 15N]' $ubiquitin 3 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C15N_labeled_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GB1-UBM1 3 mM '[U-100% 13C; U-100% 15N]' $ubiquitin 3 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_DLUBM1_ULUbi _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GB1-UBM1 3 mM '[U-100% 13C; U-100% 15N]' $ubiquitin 3 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_ULUBM1_DLUbi _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GB1-UBM1 3 mM 'natural abundance' $ubiquitin 3 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Scrub _Saveframe_category software _Name Scrub _Version . loop_ _Vendor _Address _Electronic_address 'Coggins and Zhou' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_labeled save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15N_labeled_D2O save_ save_3D_sparse-sampled_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HNCO' _Sample_label $13C15N_labeled save_ save_3D_sparse-sampled_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HNCA' _Sample_label $13C15N_labeled save_ save_3D_sparse-sampled_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HNCACB' _Sample_label $13C15N_labeled save_ save_3D_sparse-sampled_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HN(CO)CA' _Sample_label $13C15N_labeled save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_labeled save_ save_3D_sparse-sampled_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HN(COCA)CB' _Sample_label $13C15N_labeled save_ save_3D_(HACA)CO(CA)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HACA)CO(CA)NH' _Sample_label $13C15N_labeled save_ save_3D_sparse-sampled_HA(CACO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HA(CACO)NH' _Sample_label $13C15N_labeled save_ save_3D_sparse-sampled_HA(CA)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sparse-sampled HA(CA)NH' _Sample_label $13C15N_labeled save_ save_4D_sparse-sampled_HC(CO)NH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D sparse-sampled HC(CO)NH-TOCSY' _Sample_label $13C15N_labeled save_ save_4D_sparse-sampled_CHNH_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '4D sparse-sampled CHNH NOESY' _Sample_label $13C15N_labeled save_ save_4D_sparse-sampled_CHCH_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D sparse-sampled CHCH NOESY' _Sample_label $13C15N_labeled_D2O save_ save_4D_sparse-sampled_CHCH_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D sparse-sampled CHCH NOESY' _Sample_label $DLUBM1_ULUbi save_ save_4D_sparse-sampled_CHCH_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '4D sparse-sampled CHCH NOESY' _Sample_label $ULUBM1_DLUbi save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D sparse-sampled HNCO' '3D sparse-sampled HNCA' '3D sparse-sampled HNCACB' '3D sparse-sampled HN(CO)CA' '3D sparse-sampled HN(COCA)CB' '3D (HACA)CO(CA)NH' '3D sparse-sampled HA(CACO)NH' '3D sparse-sampled HA(CA)NH' '4D sparse-sampled HC(CO)NH-TOCSY' stop_ loop_ _Sample_label $15N_labeled $13C15N_labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GB1-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 1 1 MET HA H 4.155 0.020 1 2 1 1 MET HB2 H 2.083 0.020 2 3 1 1 MET HB3 H 2.209 0.020 2 4 1 1 MET HG2 H 2.170 0.020 2 5 1 1 MET HG3 H 2.407 0.020 2 6 1 1 MET HE H 2.110 0.020 1 7 1 1 MET CA C 54.073 0.400 1 8 1 1 MET CB C 32.187 0.400 1 9 1 1 MET CG C 30.268 0.400 1 10 1 1 MET CE C 15.833 0.400 1 11 2 2 GLN H H 8.338 0.020 1 12 2 2 GLN HA H 4.954 0.020 1 13 2 2 GLN HB2 H 1.955 0.020 2 14 2 2 GLN HB3 H 2.018 0.020 2 15 2 2 GLN HG2 H 2.341 0.020 2 16 2 2 GLN HG3 H 2.114 0.020 2 17 2 2 GLN HE21 H 6.887 0.020 2 18 2 2 GLN HE22 H 7.827 0.020 2 19 2 2 GLN CA C 55.411 0.400 1 20 2 2 GLN CB C 29.995 0.400 1 21 2 2 GLN CG C 34.639 0.400 1 22 2 2 GLN N N 123.406 0.400 1 23 2 2 GLN NE2 N 112.352 0.400 1 24 3 3 TYR H H 9.082 0.020 1 25 3 3 TYR HA H 5.350 0.020 1 26 3 3 TYR HB2 H 2.708 0.020 2 27 3 3 TYR HB3 H 3.383 0.020 2 28 3 3 TYR HD1 H 7.130 0.020 1 29 3 3 TYR HD2 H 7.130 0.020 1 30 3 3 TYR HE1 H 6.908 0.020 1 31 3 3 TYR HE2 H 6.908 0.020 1 32 3 3 TYR CA C 56.595 0.400 1 33 3 3 TYR CB C 42.987 0.400 1 34 3 3 TYR CD1 C 133.033 0.400 1 35 3 3 TYR CE1 C 117.444 0.400 1 36 3 3 TYR N N 124.395 0.400 1 37 4 4 LYS H H 9.088 0.020 1 38 4 4 LYS HA H 5.209 0.020 1 39 4 4 LYS HB2 H 1.876 0.020 2 40 4 4 LYS HB3 H 2.013 0.020 2 41 4 4 LYS HG2 H 1.327 0.020 2 42 4 4 LYS HG3 H 1.448 0.020 2 43 4 4 LYS HD2 H 1.605 0.020 1 44 4 4 LYS HD3 H 1.605 0.020 1 45 4 4 LYS HE2 H 2.775 0.020 1 46 4 4 LYS HE3 H 2.775 0.020 1 47 4 4 LYS CA C 54.057 0.400 1 48 4 4 LYS CB C 35.465 0.400 1 49 4 4 LYS CG C 25.103 0.400 1 50 4 4 LYS CD C 28.441 0.400 1 51 4 4 LYS CE C 41.265 0.400 1 52 4 4 LYS N N 122.232 0.400 1 53 5 5 LEU H H 8.608 0.020 1 54 5 5 LEU HA H 4.934 0.020 1 55 5 5 LEU HB2 H 0.736 0.020 2 56 5 5 LEU HB3 H -1.157 0.020 2 57 5 5 LEU HG H 0.849 0.020 1 58 5 5 LEU HD1 H 0.526 0.020 2 59 5 5 LEU HD2 H 0.561 0.020 2 60 5 5 LEU CA C 52.143 0.400 1 61 5 5 LEU CB C 42.147 0.400 1 62 5 5 LEU CG C 26.677 0.400 1 63 5 5 LEU CD1 C 24.280 0.400 1 64 5 5 LEU CD2 C 25.395 0.400 1 65 5 5 LEU N N 126.362 0.400 1 66 6 6 ILE H H 9.073 0.020 1 67 6 6 ILE HA H 4.308 0.020 1 68 6 6 ILE HB H 1.942 0.020 1 69 6 6 ILE HG12 H 1.069 0.020 2 70 6 6 ILE HG13 H 1.394 0.020 2 71 6 6 ILE HG2 H 0.772 0.020 1 72 6 6 ILE HD1 H 0.742 0.020 1 73 6 6 ILE CA C 59.636 0.400 1 74 6 6 ILE CB C 37.669 0.400 1 75 6 6 ILE CG1 C 26.797 0.400 1 76 6 6 ILE CG2 C 16.602 0.400 1 77 6 6 ILE CD1 C 12.225 0.400 1 78 6 6 ILE N N 126.117 0.400 1 79 7 7 LEU H H 8.702 0.020 1 80 7 7 LEU HA H 4.462 0.020 1 81 7 7 LEU HB2 H 1.421 0.020 2 82 7 7 LEU HB3 H 1.332 0.020 2 83 7 7 LEU HG H 1.269 0.020 1 84 7 7 LEU HD1 H 0.736 0.020 2 85 7 7 LEU HD2 H 0.746 0.020 2 86 7 7 LEU CA C 53.842 0.400 1 87 7 7 LEU CB C 41.737 0.400 1 88 7 7 LEU CG C 27.043 0.400 1 89 7 7 LEU CD1 C 25.139 0.400 1 90 7 7 LEU CD2 C 25.384 0.400 1 91 7 7 LEU N N 125.509 0.400 1 92 8 8 ASN H H 8.831 0.020 1 93 8 8 ASN HA H 5.223 0.020 1 94 8 8 ASN HB2 H 2.495 0.020 2 95 8 8 ASN HB3 H 2.944 0.020 2 96 8 8 ASN HD21 H 7.110 0.020 2 97 8 8 ASN HD22 H 6.761 0.020 2 98 8 8 ASN CA C 50.535 0.400 1 99 8 8 ASN CB C 37.815 0.400 1 100 8 8 ASN N N 125.475 0.400 1 101 8 8 ASN ND2 N 111.300 0.400 1 102 9 9 GLY H H 7.920 0.020 1 103 9 9 GLY HA2 H 4.422 0.020 2 104 9 9 GLY HA3 H 4.021 0.020 2 105 9 9 GLY CA C 44.266 0.400 1 106 9 9 GLY N N 109.755 0.400 1 107 10 10 LYS H H 9.283 0.020 1 108 10 10 LYS HA H 4.026 0.020 1 109 10 10 LYS HB2 H 1.792 0.020 1 110 10 10 LYS HB3 H 1.792 0.020 1 111 10 10 LYS HG2 H 1.421 0.020 1 112 10 10 LYS HG3 H 1.421 0.020 1 113 10 10 LYS HD2 H 1.671 0.020 1 114 10 10 LYS HD3 H 1.671 0.020 1 115 10 10 LYS HE2 H 2.923 0.020 1 116 10 10 LYS HE3 H 2.923 0.020 1 117 10 10 LYS CA C 58.515 0.400 1 118 10 10 LYS CB C 31.958 0.400 1 119 10 10 LYS CG C 24.774 0.400 1 120 10 10 LYS CD C 28.434 0.400 1 121 10 10 LYS CE C 41.279 0.400 1 122 10 10 LYS N N 121.086 0.400 1 123 11 11 THR H H 8.803 0.020 1 124 11 11 THR HA H 4.353 0.020 1 125 11 11 THR HB H 4.207 0.020 1 126 11 11 THR HG2 H 1.125 0.020 1 127 11 11 THR CA C 61.460 0.400 1 128 11 11 THR CB C 69.112 0.400 1 129 11 11 THR CG2 C 21.314 0.400 1 130 11 11 THR N N 108.583 0.400 1 131 12 12 LEU H H 7.306 0.020 1 132 12 12 LEU HA H 4.432 0.020 1 133 12 12 LEU HB2 H 1.405 0.020 2 134 12 12 LEU HB3 H 1.530 0.020 2 135 12 12 LEU HG H 1.394 0.020 1 136 12 12 LEU HD1 H 0.863 0.020 2 137 12 12 LEU HD2 H 0.780 0.020 2 138 12 12 LEU CA C 54.610 0.400 1 139 12 12 LEU CB C 42.938 0.400 1 140 12 12 LEU CG C 27.012 0.400 1 141 12 12 LEU CD1 C 23.754 0.400 1 142 12 12 LEU CD2 C 24.863 0.400 1 143 12 12 LEU N N 124.890 0.400 1 144 13 13 LYS H H 8.095 0.020 1 145 13 13 LYS HA H 5.114 0.020 1 146 13 13 LYS HB2 H 1.877 0.020 2 147 13 13 LYS HB3 H 1.705 0.020 2 148 13 13 LYS HG2 H 1.435 0.020 1 149 13 13 LYS HG3 H 1.435 0.020 1 150 13 13 LYS HD2 H 1.720 0.020 1 151 13 13 LYS HD3 H 1.720 0.020 1 152 13 13 LYS HE2 H 2.902 0.020 2 153 13 13 LYS HE3 H 2.986 0.020 2 154 13 13 LYS CA C 53.297 0.400 1 155 13 13 LYS CB C 34.391 0.400 1 156 13 13 LYS CG C 24.585 0.400 1 157 13 13 LYS CD C 28.678 0.400 1 158 13 13 LYS CE C 42.079 0.400 1 159 13 13 LYS N N 123.767 0.400 1 160 14 14 GLY H H 8.386 0.020 1 161 14 14 GLY HA2 H 4.136 0.020 2 162 14 14 GLY HA3 H 4.247 0.020 2 163 14 14 GLY CA C 44.568 0.400 1 164 14 14 GLY N N 109.323 0.400 1 165 15 15 GLU H H 8.376 0.020 1 166 15 15 GLU HA H 5.591 0.020 1 167 15 15 GLU HB2 H 1.893 0.020 2 168 15 15 GLU HB3 H 1.993 0.020 2 169 15 15 GLU HG2 H 2.126 0.020 1 170 15 15 GLU HG3 H 2.126 0.020 1 171 15 15 GLU CA C 54.057 0.400 1 172 15 15 GLU CB C 33.327 0.400 1 173 15 15 GLU CG C 35.580 0.400 1 174 15 15 GLU N N 118.548 0.400 1 175 16 16 THR H H 8.759 0.020 1 176 16 16 THR HA H 4.719 0.020 1 177 16 16 THR HB H 3.888 0.020 1 178 16 16 THR HG2 H 0.414 0.020 1 179 16 16 THR CA C 59.943 0.400 1 180 16 16 THR CB C 68.911 0.400 1 181 16 16 THR CG2 C 18.828 0.400 1 182 16 16 THR N N 115.840 0.400 1 183 17 17 THR H H 8.059 0.020 1 184 17 17 THR HA H 5.793 0.020 1 185 17 17 THR HB H 4.276 0.020 1 186 17 17 THR HG2 H 1.170 0.020 1 187 17 17 THR CA C 59.295 0.400 1 188 17 17 THR CB C 72.719 0.400 1 189 17 17 THR CG2 C 21.011 0.400 1 190 17 17 THR N N 111.797 0.400 1 191 18 18 THR H H 8.954 0.020 1 192 18 18 THR HA H 4.647 0.020 1 193 18 18 THR HB H 3.822 0.020 1 194 18 18 THR HG2 H 0.458 0.020 1 195 18 18 THR CA C 61.725 0.400 1 196 18 18 THR CB C 69.521 0.400 1 197 18 18 THR CG2 C 18.557 0.400 1 198 18 18 THR N N 114.492 0.400 1 199 19 19 GLU H H 7.920 0.020 1 200 19 19 GLU HA H 5.155 0.020 1 201 19 19 GLU HB2 H 1.919 0.020 1 202 19 19 GLU HB3 H 1.919 0.020 1 203 19 19 GLU HG2 H 2.031 0.020 2 204 19 19 GLU HG3 H 2.263 0.020 2 205 19 19 GLU CA C 53.843 0.400 1 206 19 19 GLU CB C 29.809 0.400 1 207 19 19 GLU CG C 35.232 0.400 1 208 19 19 GLU N N 125.896 0.400 1 209 20 20 ALA H H 9.320 0.020 1 210 20 20 ALA HA H 4.919 0.020 1 211 20 20 ALA HB H 1.325 0.020 1 212 20 20 ALA CA C 50.260 0.400 1 213 20 20 ALA CB C 23.199 0.400 1 214 20 20 ALA N N 127.308 0.400 1 215 21 21 VAL H H 8.474 0.020 1 216 21 21 VAL HA H 4.082 0.020 1 217 21 21 VAL HB H 2.183 0.020 1 218 21 21 VAL HG1 H 0.989 0.020 2 219 21 21 VAL HG2 H 0.981 0.020 2 220 21 21 VAL CA C 62.975 0.400 1 221 21 21 VAL CB C 31.421 0.400 1 222 21 21 VAL CG1 C 20.424 0.400 1 223 21 21 VAL CG2 C 19.662 0.400 1 224 21 21 VAL N N 115.712 0.400 1 225 22 22 ASP H H 7.296 0.020 1 226 22 22 ASP HA H 4.740 0.020 1 227 22 22 ASP HB2 H 2.944 0.020 2 228 22 22 ASP HB3 H 3.026 0.020 2 229 22 22 ASP CA C 51.939 0.400 1 230 22 22 ASP CB C 41.543 0.400 1 231 22 22 ASP N N 115.055 0.400 1 232 23 23 ALA H H 8.276 0.020 1 233 23 23 ALA HA H 3.301 0.020 1 234 23 23 ALA HB H 1.161 0.020 1 235 23 23 ALA CA C 54.038 0.400 1 236 23 23 ALA CB C 16.945 0.400 1 237 23 23 ALA N N 121.340 0.400 1 238 24 24 ALA H H 8.034 0.020 1 239 24 24 ALA HA H 3.943 0.020 1 240 24 24 ALA HB H 1.270 0.020 1 241 24 24 ALA CA C 54.140 0.400 1 242 24 24 ALA CB C 17.275 0.400 1 243 24 24 ALA N N 120.414 0.400 1 244 25 25 THR H H 8.269 0.020 1 245 25 25 THR HA H 3.683 0.020 1 246 25 25 THR HB H 3.998 0.020 1 247 25 25 THR HG2 H 1.207 0.020 1 248 25 25 THR CA C 66.348 0.400 1 249 25 25 THR CB C 67.268 0.400 1 250 25 25 THR CG2 C 20.488 0.400 1 251 25 25 THR N N 116.322 0.400 1 252 26 26 ALA H H 7.135 0.020 1 253 26 26 ALA HA H 3.057 0.020 1 254 26 26 ALA HB H 0.488 0.020 1 255 26 26 ALA CA C 54.338 0.400 1 256 26 26 ALA CB C 16.929 0.400 1 257 26 26 ALA N N 123.563 0.400 1 258 27 27 GLU H H 8.299 0.020 1 259 27 27 GLU HA H 2.608 0.020 1 260 27 27 GLU HB2 H 1.829 0.020 2 261 27 27 GLU HB3 H 1.931 0.020 2 262 27 27 GLU HG2 H 1.603 0.020 1 263 27 27 GLU HG3 H 1.603 0.020 1 264 27 27 GLU CA C 59.053 0.400 1 265 27 27 GLU CB C 28.681 0.400 1 266 27 27 GLU CG C 35.265 0.400 1 267 27 27 GLU N N 116.527 0.400 1 268 28 28 LYS H H 6.924 0.020 1 269 28 28 LYS HA H 3.705 0.020 1 270 28 28 LYS HB2 H 1.813 0.020 1 271 28 28 LYS HB3 H 1.813 0.020 1 272 28 28 LYS HG2 H 1.305 0.020 2 273 28 28 LYS HG3 H 1.527 0.020 2 274 28 28 LYS HD2 H 1.592 0.020 1 275 28 28 LYS HD3 H 1.592 0.020 1 276 28 28 LYS HE2 H 2.874 0.020 1 277 28 28 LYS HE3 H 2.874 0.020 1 278 28 28 LYS CA C 59.095 0.400 1 279 28 28 LYS CB C 31.691 0.400 1 280 28 28 LYS CG C 24.598 0.400 1 281 28 28 LYS CD C 28.719 0.400 1 282 28 28 LYS CE C 41.425 0.400 1 283 28 28 LYS N N 116.490 0.400 1 284 29 29 VAL H H 7.306 0.020 1 285 29 29 VAL HA H 3.619 0.020 1 286 29 29 VAL HB H 1.730 0.020 1 287 29 29 VAL HG1 H 0.768 0.020 2 288 29 29 VAL HG2 H 0.877 0.020 2 289 29 29 VAL CA C 65.349 0.400 1 290 29 29 VAL CB C 31.179 0.400 1 291 29 29 VAL CG1 C 19.923 0.400 1 292 29 29 VAL CG2 C 21.099 0.400 1 293 29 29 VAL N N 120.468 0.400 1 294 30 30 PHE H H 8.498 0.020 1 295 30 30 PHE HA H 4.755 0.020 1 296 30 30 PHE HB2 H 2.812 0.020 2 297 30 30 PHE HB3 H 3.300 0.020 2 298 30 30 PHE HD1 H 6.899 0.020 1 299 30 30 PHE HD2 H 6.899 0.020 1 300 30 30 PHE HE1 H 7.078 0.020 1 301 30 30 PHE HE2 H 7.078 0.020 1 302 30 30 PHE HZ H 7.168 0.020 1 303 30 30 PHE CA C 55.977 0.400 1 304 30 30 PHE CB C 36.854 0.400 1 305 30 30 PHE CD1 C 129.211 0.400 1 306 30 30 PHE CE1 C 130.036 0.400 1 307 30 30 PHE CZ C 129.763 0.400 1 308 30 30 PHE N N 120.532 0.400 1 309 31 31 LYS H H 9.058 0.020 1 310 31 31 LYS HA H 4.148 0.020 1 311 31 31 LYS HB2 H 1.606 0.020 2 312 31 31 LYS HB3 H 1.540 0.020 2 313 31 31 LYS HG2 H 0.445 0.020 2 314 31 31 LYS HG3 H 0.779 0.020 2 315 31 31 LYS HD2 H 1.028 0.020 2 316 31 31 LYS HD3 H 1.086 0.020 2 317 31 31 LYS HE2 H 1.639 0.020 2 318 31 31 LYS HE3 H 1.861 0.020 2 319 31 31 LYS CA C 59.299 0.400 1 320 31 31 LYS CB C 31.118 0.400 1 321 31 31 LYS CG C 25.363 0.400 1 322 31 31 LYS CD C 28.182 0.400 1 323 31 31 LYS CE C 40.670 0.400 1 324 31 31 LYS N N 122.701 0.400 1 325 32 32 GLN H H 7.423 0.020 1 326 32 32 GLN HA H 4.024 0.020 1 327 32 32 GLN HB2 H 2.184 0.020 2 328 32 32 GLN HB3 H 2.231 0.020 2 329 32 32 GLN HG2 H 2.397 0.020 2 330 32 32 GLN HG3 H 2.427 0.020 2 331 32 32 GLN HE21 H 6.863 0.020 2 332 32 32 GLN HE22 H 7.918 0.020 2 333 32 32 GLN CA C 57.950 0.400 1 334 32 32 GLN CB C 27.592 0.400 1 335 32 32 GLN CG C 32.832 0.400 1 336 32 32 GLN N N 119.507 0.400 1 337 32 32 GLN NE2 N 115.204 0.400 1 338 33 33 TYR H H 8.232 0.020 1 339 33 33 TYR HA H 4.255 0.020 1 340 33 33 TYR HB2 H 3.287 0.020 1 341 33 33 TYR HB3 H 3.287 0.020 1 342 33 33 TYR HD1 H 6.968 0.020 1 343 33 33 TYR HD2 H 6.968 0.020 1 344 33 33 TYR HE1 H 6.714 0.020 1 345 33 33 TYR HE2 H 6.714 0.020 1 346 33 33 TYR CA C 61.241 0.400 1 347 33 33 TYR CB C 38.192 0.400 1 348 33 33 TYR CD1 C 132.213 0.400 1 349 33 33 TYR CE1 C 117.726 0.400 1 350 33 33 TYR N N 120.872 0.400 1 351 34 34 ALA H H 9.160 0.020 1 352 34 34 ALA HA H 3.774 0.020 1 353 34 34 ALA HB H 1.821 0.020 1 354 34 34 ALA CA C 55.731 0.400 1 355 34 34 ALA CB C 17.381 0.400 1 356 34 34 ALA N N 122.479 0.400 1 357 35 35 ASN H H 8.229 0.020 1 358 35 35 ASN HA H 4.420 0.020 1 359 35 35 ASN HB2 H 2.900 0.020 2 360 35 35 ASN HB3 H 2.943 0.020 2 361 35 35 ASN HD21 H 7.601 0.020 2 362 35 35 ASN HD22 H 6.955 0.020 2 363 35 35 ASN CA C 56.368 0.400 1 364 35 35 ASN CB C 38.301 0.400 1 365 35 35 ASN N N 117.521 0.400 1 366 35 35 ASN ND2 N 112.170 0.400 1 367 36 36 ASP H H 8.917 0.020 1 368 36 36 ASP HA H 4.345 0.020 1 369 36 36 ASP HB2 H 2.713 0.020 2 370 36 36 ASP HB3 H 2.542 0.020 2 371 36 36 ASP CA C 56.333 0.400 1 372 36 36 ASP CB C 39.413 0.400 1 373 36 36 ASP N N 121.311 0.400 1 374 37 37 ASN H H 7.357 0.020 1 375 37 37 ASN HA H 4.575 0.020 1 376 37 37 ASN HB2 H 2.077 0.020 2 377 37 37 ASN HB3 H 2.667 0.020 2 378 37 37 ASN HD21 H 6.253 0.020 2 379 37 37 ASN HD22 H 6.619 0.020 2 380 37 37 ASN CA C 53.194 0.400 1 381 37 37 ASN CB C 39.449 0.400 1 382 37 37 ASN N N 115.211 0.400 1 383 37 37 ASN ND2 N 114.790 0.400 1 384 38 38 GLY H H 7.772 0.020 1 385 38 38 GLY HA2 H 3.897 0.020 1 386 38 38 GLY HA3 H 3.897 0.020 1 387 38 38 GLY CA C 46.224 0.400 1 388 38 38 GLY N N 108.012 0.400 1 389 39 39 VAL H H 8.099 0.020 1 390 39 39 VAL HA H 4.124 0.020 1 391 39 39 VAL HB H 1.711 0.020 1 392 39 39 VAL HG1 H 0.615 0.020 2 393 39 39 VAL HG2 H 0.784 0.020 2 394 39 39 VAL CA C 61.420 0.400 1 395 39 39 VAL CB C 32.712 0.400 1 396 39 39 VAL CG1 C 21.005 0.400 1 397 39 39 VAL CG2 C 21.289 0.400 1 398 39 39 VAL N N 120.706 0.400 1 399 40 40 ASP H H 8.468 0.020 1 400 40 40 ASP HA H 4.863 0.020 1 401 40 40 ASP HB2 H 2.574 0.020 2 402 40 40 ASP HB3 H 2.702 0.020 2 403 40 40 ASP CA C 51.913 0.400 1 404 40 40 ASP CB C 42.636 0.400 1 405 40 40 ASP N N 127.304 0.400 1 406 41 41 GLY H H 7.912 0.020 1 407 41 41 GLY HA2 H 3.731 0.020 2 408 41 41 GLY HA3 H 4.216 0.020 2 409 41 41 GLY CA C 44.866 0.400 1 410 41 41 GLY N N 107.327 0.400 1 411 42 42 GLU H H 8.024 0.020 1 412 42 42 GLU HA H 4.674 0.020 1 413 42 42 GLU HB2 H 2.028 0.020 2 414 42 42 GLU HB3 H 1.950 0.020 2 415 42 42 GLU HG2 H 2.245 0.020 2 416 42 42 GLU HG3 H 2.338 0.020 2 417 42 42 GLU CA C 54.950 0.400 1 418 42 42 GLU CB C 30.956 0.400 1 419 42 42 GLU CG C 35.811 0.400 1 420 42 42 GLU N N 120.524 0.400 1 421 43 43 TRP H H 9.294 0.020 1 422 43 43 TRP HA H 5.354 0.020 1 423 43 43 TRP HB2 H 3.141 0.020 2 424 43 43 TRP HB3 H 3.351 0.020 2 425 43 43 TRP HD1 H 7.554 0.020 1 426 43 43 TRP HE3 H 7.601 0.020 1 427 43 43 TRP HZ2 H 7.322 0.020 1 428 43 43 TRP HZ3 H 6.595 0.020 1 429 43 43 TRP HH2 H 6.727 0.020 1 430 43 43 TRP CA C 57.201 0.400 1 431 43 43 TRP CB C 30.057 0.400 1 432 43 43 TRP CD1 C 126.469 0.400 1 433 43 43 TRP CE3 C 118.812 0.400 1 434 43 43 TRP CZ2 C 113.889 0.400 1 435 43 43 TRP CZ3 C 120.179 0.400 1 436 43 43 TRP CH2 C 122.367 0.400 1 437 43 43 TRP N N 128.082 0.400 1 438 44 44 THR H H 9.247 0.020 1 439 44 44 THR HA H 4.803 0.020 1 440 44 44 THR HB H 4.215 0.020 1 441 44 44 THR HG2 H 1.167 0.020 1 442 44 44 THR CA C 59.890 0.400 1 443 44 44 THR CB C 71.686 0.400 1 444 44 44 THR CG2 C 21.312 0.400 1 445 44 44 THR N N 114.405 0.400 1 446 45 45 TYR H H 8.559 0.020 1 447 45 45 TYR HA H 4.946 0.020 1 448 45 45 TYR HB2 H 2.480 0.020 2 449 45 45 TYR HB3 H 2.854 0.020 2 450 45 45 TYR HD1 H 7.791 0.020 1 451 45 45 TYR HD2 H 7.791 0.020 1 452 45 45 TYR HE1 H 6.335 0.020 1 453 45 45 TYR HE2 H 6.335 0.020 1 454 45 45 TYR CA C 56.317 0.400 1 455 45 45 TYR CB C 41.007 0.400 1 456 45 45 TYR CD1 C 131.666 0.400 1 457 45 45 TYR CE1 C 116.897 0.400 1 458 45 45 TYR N N 120.527 0.400 1 459 46 46 ASP H H 7.604 0.020 1 460 46 46 ASP HA H 4.564 0.020 1 461 46 46 ASP HB2 H 2.244 0.020 2 462 46 46 ASP HB3 H 2.582 0.020 2 463 46 46 ASP CA C 51.153 0.400 1 464 46 46 ASP CB C 42.435 0.400 1 465 46 46 ASP N N 128.305 0.400 1 466 47 47 ASP H H 8.550 0.020 1 467 47 47 ASP HA H 4.115 0.020 1 468 47 47 ASP HB2 H 2.502 0.020 2 469 47 47 ASP HB3 H 2.806 0.020 2 470 47 47 ASP CA C 55.741 0.400 1 471 47 47 ASP CB C 41.549 0.400 1 472 47 47 ASP N N 124.821 0.400 1 473 48 48 ALA H H 8.319 0.020 1 474 48 48 ALA HA H 4.105 0.020 1 475 48 48 ALA HB H 1.482 0.020 1 476 48 48 ALA CA C 54.624 0.400 1 477 48 48 ALA CB C 17.741 0.400 1 478 48 48 ALA N N 119.765 0.400 1 479 49 49 THR H H 6.989 0.020 1 480 49 49 THR HA H 4.380 0.020 1 481 49 49 THR HB H 4.384 0.020 1 482 49 49 THR HG2 H 1.061 0.020 1 483 49 49 THR CA C 59.812 0.400 1 484 49 49 THR CB C 69.519 0.400 1 485 49 49 THR CG2 C 20.533 0.400 1 486 49 49 THR N N 103.111 0.400 1 487 50 50 LYS H H 7.840 0.020 1 488 50 50 LYS HA H 4.167 0.020 1 489 50 50 LYS HB2 H 2.080 0.020 2 490 50 50 LYS HB3 H 2.022 0.020 2 491 50 50 LYS HG2 H 1.220 0.020 2 492 50 50 LYS HG3 H 1.397 0.020 2 493 50 50 LYS HD2 H 1.418 0.020 2 494 50 50 LYS HD3 H 1.677 0.020 2 495 50 50 LYS HE2 H 2.934 0.020 2 496 50 50 LYS HE3 H 3.084 0.020 2 497 50 50 LYS CA C 56.039 0.400 1 498 50 50 LYS CB C 28.705 0.400 1 499 50 50 LYS CG C 24.059 0.400 1 500 50 50 LYS CD C 27.791 0.400 1 501 50 50 LYS N N 123.033 0.400 1 502 51 51 THR H H 7.356 0.020 1 503 51 51 THR HA H 5.477 0.020 1 504 51 51 THR HB H 3.742 0.020 1 505 51 51 THR HG2 H 0.970 0.020 1 506 51 51 THR CA C 61.620 0.400 1 507 51 51 THR CB C 71.382 0.400 1 508 51 51 THR CG2 C 20.235 0.400 1 509 51 51 THR N N 111.030 0.400 1 510 52 52 PHE H H 10.378 0.020 1 511 52 52 PHE HA H 5.660 0.020 1 512 52 52 PHE HB2 H 3.221 0.020 2 513 52 52 PHE HB3 H 3.288 0.020 2 514 52 52 PHE HD1 H 7.781 0.020 1 515 52 52 PHE HD2 H 7.781 0.020 1 516 52 52 PHE HE1 H 7.207 0.020 1 517 52 52 PHE HE2 H 7.207 0.020 1 518 52 52 PHE HZ H 6.984 0.020 1 519 52 52 PHE CA C 56.579 0.400 1 520 52 52 PHE CB C 42.155 0.400 1 521 52 52 PHE CD1 C 131.677 0.400 1 522 52 52 PHE CE1 C 130.845 0.400 1 523 52 52 PHE CZ C 130.572 0.400 1 524 52 52 PHE N N 130.820 0.400 1 525 53 53 THR H H 9.087 0.020 1 526 53 53 THR HA H 5.194 0.020 1 527 53 53 THR HB H 3.803 0.020 1 528 53 53 THR HG2 H 0.933 0.020 1 529 53 53 THR CA C 60.937 0.400 1 530 53 53 THR CB C 70.455 0.400 1 531 53 53 THR CG2 C 19.978 0.400 1 532 53 53 THR N N 116.885 0.400 1 533 54 54 VAL H H 8.177 0.020 1 534 54 54 VAL HA H 4.463 0.020 1 535 54 54 VAL HB H -0.324 0.020 1 536 54 54 VAL HG1 H 0.365 0.020 2 537 54 54 VAL HG2 H -0.364 0.020 2 538 54 54 VAL CA C 57.398 0.400 1 539 54 54 VAL CB C 31.788 0.400 1 540 54 54 VAL CG1 C 19.166 0.400 1 541 54 54 VAL CG2 C 20.192 0.400 1 542 54 54 VAL N N 123.065 0.400 1 543 55 55 THR H H 8.322 0.020 1 544 55 55 THR HA H 4.691 0.020 1 545 55 55 THR HB H 3.826 0.020 1 546 55 55 THR HG2 H 1.143 0.020 1 547 55 55 THR CA C 60.411 0.400 1 548 55 55 THR CB C 69.948 0.400 1 549 55 55 THR CG2 C 20.761 0.400 1 550 55 55 THR N N 123.192 0.400 1 551 56 56 GLU H H 8.086 0.020 1 552 56 56 GLU HA H 4.517 0.020 1 553 56 56 GLU HB2 H 1.984 0.020 2 554 56 56 GLU HB3 H 2.146 0.020 2 555 56 56 GLU HG2 H 2.388 0.020 1 556 56 56 GLU HG3 H 2.388 0.020 1 557 56 56 GLU CA C 55.735 0.400 1 558 56 56 GLU CB C 31.402 0.400 1 559 56 56 GLU CG C 36.079 0.400 1 560 56 56 GLU N N 128.667 0.400 1 561 57 57 GLY H H 8.762 0.020 1 562 57 57 GLY HA2 H 4.051 0.020 2 563 57 57 GLY HA3 H 3.928 0.020 2 564 57 57 GLY CA C 44.569 0.400 1 565 57 57 GLY N N 112.349 0.400 1 566 58 58 SER H H 8.306 0.020 1 567 58 58 SER HA H 4.430 0.020 1 568 58 58 SER HB2 H 3.811 0.020 1 569 58 58 SER HB3 H 3.811 0.020 1 570 58 58 SER CA C 57.476 0.400 1 571 58 58 SER CB C 63.353 0.400 1 572 58 58 SER N N 115.095 0.400 1 573 59 59 ASN HA H 4.661 0.020 1 574 59 59 ASN HB2 H 2.663 0.020 2 575 59 59 ASN HB3 H 2.740 0.020 2 576 59 59 ASN HD21 H 6.870 0.020 2 577 59 59 ASN HD22 H 7.554 0.020 2 578 59 59 ASN CA C 52.684 0.400 1 579 59 59 ASN CB C 38.280 0.400 1 580 59 59 ASN ND2 N 112.729 0.400 1 581 60 60 GLU H H 8.254 0.020 1 582 60 60 GLU HA H 4.157 0.020 1 583 60 60 GLU HB2 H 1.760 0.020 2 584 60 60 GLU HB3 H 1.846 0.020 2 585 60 60 GLU HG2 H 2.017 0.020 1 586 60 60 GLU CA C 56.050 0.400 1 587 60 60 GLU CB C 30.054 0.400 1 588 60 60 GLU CG C 35.557 0.400 1 589 60 60 GLU N N 120.738 0.400 1 590 61 61 PHE H H 8.227 0.020 1 591 61 61 PHE HA H 4.836 0.020 1 592 61 61 PHE HB2 H 2.913 0.020 2 593 61 61 PHE HB3 H 3.079 0.020 2 594 61 61 PHE HD1 H 7.247 0.020 1 595 61 61 PHE HD2 H 7.247 0.020 1 596 61 61 PHE HE1 H 7.436 0.020 1 597 61 61 PHE HE2 H 7.436 0.020 1 598 61 61 PHE HZ H 7.228 0.020 1 599 61 61 PHE CA C 54.935 0.400 1 600 61 61 PHE CB C 38.540 0.400 1 601 61 61 PHE CD1 C 131.392 0.400 1 602 61 61 PHE CE1 C 129.478 0.400 1 603 61 61 PHE CZ C 129.204 0.400 1 604 61 61 PHE N N 121.332 0.400 1 605 62 62 PRO HA H 4.411 0.020 1 606 62 62 PRO HB2 H 2.204 0.020 2 607 62 62 PRO HB3 H 1.915 0.020 2 608 62 62 PRO HG2 H 1.929 0.020 1 609 62 62 PRO HG3 H 1.929 0.020 1 610 62 62 PRO HD2 H 3.443 0.020 2 611 62 62 PRO HD3 H 3.682 0.020 2 612 62 62 PRO CA C 62.599 0.400 1 613 62 62 PRO CB C 31.400 0.400 1 614 62 62 PRO CG C 26.824 0.400 1 615 62 62 PRO CD C 50.009 0.400 1 616 63 63 LEU H H 8.343 0.020 1 617 63 63 LEU HA H 4.228 0.020 1 618 63 63 LEU HB2 H 1.557 0.020 2 619 63 63 LEU HB3 H 1.646 0.020 2 620 63 63 LEU HG H 1.660 0.020 1 621 63 63 LEU HD1 H 0.912 0.020 2 622 63 63 LEU HD2 H 0.868 0.020 2 623 63 63 LEU CA C 55.193 0.400 1 624 63 63 LEU CB C 41.424 0.400 1 625 63 63 LEU CG C 26.428 0.400 1 626 63 63 LEU CD1 C 24.555 0.400 1 627 63 63 LEU CD2 C 23.259 0.400 1 628 63 63 LEU N N 122.281 0.400 1 629 64 64 CYS H H 8.245 0.020 1 630 64 64 CYS HA H 4.466 0.020 1 631 64 64 CYS HB2 H 2.875 0.020 2 632 64 64 CYS HB3 H 2.922 0.020 2 633 64 64 CYS CA C 57.689 0.400 1 634 64 64 CYS CB C 27.515 0.400 1 635 64 64 CYS N N 118.360 0.400 1 636 65 65 SER H H 8.163 0.020 1 637 65 65 SER HA H 4.464 0.020 1 638 65 65 SER HB2 H 3.799 0.020 1 639 65 65 SER HB3 H 3.799 0.020 1 640 65 65 SER CA C 57.666 0.400 1 641 65 65 SER CB C 63.162 0.400 1 642 65 65 SER N N 117.570 0.400 1 643 66 66 LEU H H 7.932 0.020 1 644 66 66 LEU HA H 4.268 0.020 1 645 66 66 LEU HB2 H 1.106 0.020 2 646 66 66 LEU HB3 H 1.474 0.020 2 647 66 66 LEU HG H 1.376 0.020 1 648 66 66 LEU HD1 H 0.418 0.020 2 649 66 66 LEU HD2 H 0.161 0.020 2 650 66 66 LEU CA C 52.160 0.400 1 651 66 66 LEU CB C 41.303 0.400 1 652 66 66 LEU CG C 25.979 0.400 1 653 66 66 LEU CD1 C 24.560 0.400 1 654 66 66 LEU CD2 C 22.617 0.400 1 655 66 66 LEU N N 123.618 0.400 1 656 67 67 PRO HA H 4.323 0.020 1 657 67 67 PRO HB2 H 1.722 0.020 2 658 67 67 PRO HB3 H 2.373 0.020 2 659 67 67 PRO HG2 H 1.869 0.020 1 660 67 67 PRO HG3 H 1.869 0.020 1 661 67 67 PRO HD2 H 3.628 0.020 2 662 67 67 PRO HD3 H 3.024 0.020 2 663 67 67 PRO CA C 61.991 0.400 1 664 67 67 PRO CB C 31.374 0.400 1 665 67 67 PRO CG C 27.043 0.400 1 666 67 67 PRO CD C 49.745 0.400 1 667 68 68 GLU H H 8.491 0.020 1 668 68 68 GLU HA H 3.999 0.020 1 669 68 68 GLU HB2 H 1.927 0.020 1 670 68 68 GLU HB3 H 1.927 0.020 1 671 68 68 GLU HG2 H 2.250 0.020 1 672 68 68 GLU HG3 H 2.250 0.020 1 673 68 68 GLU CA C 57.134 0.400 1 674 68 68 GLU CB C 29.156 0.400 1 675 68 68 GLU CG C 35.573 0.400 1 676 68 68 GLU N N 121.685 0.400 1 677 69 69 GLY H H 8.648 0.020 1 678 69 69 GLY HA2 H 4.088 0.020 2 679 69 69 GLY HA3 H 3.708 0.020 2 680 69 69 GLY CA C 44.602 0.400 1 681 69 69 GLY N N 111.116 0.400 1 682 70 70 VAL H H 7.226 0.020 1 683 70 70 VAL HA H 3.900 0.020 1 684 70 70 VAL HB H 1.880 0.020 1 685 70 70 VAL HG1 H 0.708 0.020 2 686 70 70 VAL HG2 H 0.806 0.020 2 687 70 70 VAL CA C 61.496 0.400 1 688 70 70 VAL CB C 32.197 0.400 1 689 70 70 VAL CG1 C 22.064 0.400 1 690 70 70 VAL CG2 C 21.296 0.400 1 691 70 70 VAL N N 118.359 0.400 1 692 71 71 ASP H H 8.683 0.020 1 693 71 71 ASP HA H 4.517 0.020 1 694 71 71 ASP HB2 H 2.322 0.020 2 695 71 71 ASP HB3 H 2.662 0.020 2 696 71 71 ASP CA C 53.326 0.400 1 697 71 71 ASP CB C 41.541 0.400 1 698 71 71 ASP N N 127.269 0.400 1 699 72 72 GLN H H 8.957 0.020 1 700 72 72 GLN HA H 3.818 0.020 1 701 72 72 GLN HB2 H 2.083 0.020 1 702 72 72 GLN HB3 H 2.083 0.020 1 703 72 72 GLN HG2 H 2.341 0.020 2 704 72 72 GLN HG3 H 2.398 0.020 2 705 72 72 GLN HE21 H 6.771 0.020 2 706 72 72 GLN HE22 H 7.529 0.020 2 707 72 72 GLN CA C 58.673 0.400 1 708 72 72 GLN CB C 27.944 0.400 1 709 72 72 GLN CG C 33.299 0.400 1 710 72 72 GLN N N 127.038 0.400 1 711 72 72 GLN NE2 N 111.198 0.400 1 712 73 73 GLU H H 8.230 0.020 1 713 73 73 GLU HA H 4.023 0.020 1 714 73 73 GLU HB2 H 2.094 0.020 1 715 73 73 GLU HB3 H 2.094 0.020 1 716 73 73 GLU HG2 H 2.199 0.020 2 717 73 73 GLU HG3 H 2.340 0.020 2 718 73 73 GLU CA C 58.188 0.400 1 719 73 73 GLU CB C 28.424 0.400 1 720 73 73 GLU CG C 35.832 0.400 1 721 73 73 GLU N N 118.406 0.400 1 722 74 74 VAL H H 7.736 0.020 1 723 74 74 VAL HA H 3.285 0.020 1 724 74 74 VAL HB H 2.111 0.020 1 725 74 74 VAL HG1 H 0.682 0.020 2 726 74 74 VAL HG2 H 0.992 0.020 2 727 74 74 VAL CA C 65.383 0.400 1 728 74 74 VAL CB C 31.144 0.400 1 729 74 74 VAL CG1 C 20.218 0.400 1 730 74 74 VAL CG2 C 21.593 0.400 1 731 74 74 VAL N N 119.834 0.400 1 732 75 75 PHE H H 8.224 0.020 1 733 75 75 PHE HA H 3.654 0.020 1 734 75 75 PHE HB2 H 2.869 0.020 2 735 75 75 PHE HB3 H 3.025 0.020 2 736 75 75 PHE HD1 H 6.931 0.020 1 737 75 75 PHE HD2 H 6.931 0.020 1 738 75 75 PHE HE1 H 7.234 0.020 1 739 75 75 PHE HE2 H 7.234 0.020 1 740 75 75 PHE HZ H 7.197 0.020 1 741 75 75 PHE CA C 61.232 0.400 1 742 75 75 PHE CB C 39.626 0.400 1 743 75 75 PHE CD1 C 130.845 0.400 1 744 75 75 PHE CE1 C 130.845 0.400 1 745 75 75 PHE N N 118.185 0.400 1 746 76 76 LYS H H 7.628 0.020 1 747 76 76 LYS HA H 3.795 0.020 1 748 76 76 LYS HB2 H 1.875 0.020 1 749 76 76 LYS HB3 H 1.875 0.020 1 750 76 76 LYS HG2 H 1.601 0.020 2 751 76 76 LYS HG3 H 1.664 0.020 2 752 76 76 LYS HD2 H 1.678 0.020 2 753 76 76 LYS HD3 H 1.713 0.020 2 754 76 76 LYS CA C 57.652 0.400 1 755 76 76 LYS CB C 31.976 0.400 1 756 76 76 LYS CG C 24.862 0.400 1 757 76 76 LYS CD C 28.975 0.400 1 758 76 76 LYS N N 113.494 0.400 1 759 77 77 GLN H H 7.471 0.020 1 760 77 77 GLN HA H 4.198 0.020 1 761 77 77 GLN HB2 H 1.583 0.020 2 762 77 77 GLN HB3 H 2.164 0.020 2 763 77 77 GLN HG2 H 2.358 0.020 2 764 77 77 GLN HG3 H 2.253 0.020 2 765 77 77 GLN HE21 H 6.808 0.020 2 766 77 77 GLN HE22 H 7.429 0.020 2 767 77 77 GLN CA C 54.467 0.400 1 768 77 77 GLN CB C 28.671 0.400 1 769 77 77 GLN CG C 33.249 0.400 1 770 77 77 GLN N N 115.735 0.400 1 771 77 77 GLN NE2 N 112.362 0.400 1 772 78 78 LEU H H 7.083 0.020 1 773 78 78 LEU HA H 4.302 0.020 1 774 78 78 LEU HB2 H 0.918 0.020 2 775 78 78 LEU HB3 H 1.484 0.020 2 776 78 78 LEU HG H 1.917 0.020 1 777 78 78 LEU HD1 H 0.621 0.020 2 778 78 78 LEU HD2 H 0.470 0.020 2 779 78 78 LEU CA C 51.933 0.400 1 780 78 78 LEU CB C 40.173 0.400 1 781 78 78 LEU CG C 24.585 0.400 1 782 78 78 LEU CD1 C 25.987 0.400 1 783 78 78 LEU CD2 C 21.336 0.400 1 784 78 78 LEU N N 119.615 0.400 1 785 79 79 PRO HA H 4.468 0.020 1 786 79 79 PRO HB2 H 2.522 0.020 2 787 79 79 PRO HB3 H 2.083 0.020 2 788 79 79 PRO HG2 H 1.924 0.020 2 789 79 79 PRO HG3 H 1.992 0.020 2 790 79 79 PRO HD2 H 3.244 0.020 2 791 79 79 PRO HD3 H 3.573 0.020 2 792 79 79 PRO CA C 61.505 0.400 1 793 79 79 PRO CB C 31.956 0.400 1 794 79 79 PRO CG C 27.307 0.400 1 795 79 79 PRO CD C 49.733 0.400 1 796 80 80 VAL H H 8.659 0.020 1 797 80 80 VAL HA H 3.708 0.020 1 798 80 80 VAL HB H 2.056 0.020 1 799 80 80 VAL HG1 H 0.969 0.020 2 800 80 80 VAL HG2 H 1.020 0.020 2 801 80 80 VAL CA C 65.081 0.400 1 802 80 80 VAL CB C 31.171 0.400 1 803 80 80 VAL CG1 C 20.194 0.400 1 804 80 80 VAL CG2 C 20.748 0.400 1 805 80 80 VAL N N 122.107 0.400 1 806 81 81 ASP H H 8.691 0.020 1 807 81 81 ASP HA H 4.354 0.020 1 808 81 81 ASP HB2 H 2.527 0.020 2 809 81 81 ASP HB3 H 2.689 0.020 2 810 81 81 ASP CA C 55.818 0.400 1 811 81 81 ASP CB C 38.532 0.400 1 812 81 81 ASP N N 117.312 0.400 1 813 82 82 ILE H H 7.116 0.020 1 814 82 82 ILE HA H 3.835 0.020 1 815 82 82 ILE HB H 1.691 0.020 1 816 82 82 ILE HG12 H 1.027 0.020 2 817 82 82 ILE HG13 H 1.559 0.020 2 818 82 82 ILE HG2 H 0.863 0.020 1 819 82 82 ILE HD1 H 0.676 0.020 1 820 82 82 ILE CA C 63.134 0.400 1 821 82 82 ILE CB C 36.622 0.400 1 822 82 82 ILE CG1 C 27.976 0.400 1 823 82 82 ILE CG2 C 17.975 0.400 1 824 82 82 ILE CD1 C 11.690 0.400 1 825 82 82 ILE N N 121.282 0.400 1 826 83 83 GLN H H 8.039 0.020 1 827 83 83 GLN HA H 3.582 0.020 1 828 83 83 GLN HB2 H 1.735 0.020 1 829 83 83 GLN HB3 H 1.735 0.020 1 830 83 83 GLN HG2 H 2.223 0.020 1 831 83 83 GLN HG3 H 2.223 0.020 1 832 83 83 GLN HE21 H 6.331 0.020 2 833 83 83 GLN HE22 H 6.921 0.020 2 834 83 83 GLN CA C 59.313 0.400 1 835 83 83 GLN CB C 27.308 0.400 1 836 83 83 GLN N N 119.414 0.400 1 837 83 83 GLN NE2 N 110.886 0.400 1 838 84 84 GLU H H 8.249 0.020 1 839 84 84 GLU HA H 3.947 0.020 1 840 84 84 GLU HB2 H 2.020 0.020 2 841 84 84 GLU HB3 H 2.075 0.020 2 842 84 84 GLU HG2 H 2.444 0.020 2 843 84 84 GLU HG3 H 2.234 0.020 2 844 84 84 GLU CA C 58.820 0.400 1 845 84 84 GLU CB C 28.961 0.400 1 846 84 84 GLU CG C 36.067 0.400 1 847 84 84 GLU N N 115.831 0.400 1 848 85 85 GLU H H 7.589 0.020 1 849 85 85 GLU HA H 4.001 0.020 1 850 85 85 GLU HB2 H 2.176 0.020 2 851 85 85 GLU HB3 H 2.326 0.020 2 852 85 85 GLU HG2 H 2.479 0.020 2 853 85 85 GLU HG3 H 2.128 0.020 2 854 85 85 GLU CA C 58.775 0.400 1 855 85 85 GLU CB C 29.684 0.400 1 856 85 85 GLU CG C 35.714 0.400 1 857 85 85 GLU N N 121.288 0.400 1 858 86 86 ILE H H 8.152 0.020 1 859 86 86 ILE HA H 3.779 0.020 1 860 86 86 ILE HB H 2.184 0.020 1 861 86 86 ILE HG12 H 1.196 0.020 2 862 86 86 ILE HG13 H 1.738 0.020 2 863 86 86 ILE HG2 H 0.899 0.020 1 864 86 86 ILE HD1 H 0.856 0.020 1 865 86 86 ILE CA C 63.695 0.400 1 866 86 86 ILE CB C 37.723 0.400 1 867 86 86 ILE CG1 C 28.401 0.400 1 868 86 86 ILE CG2 C 16.898 0.400 1 869 86 86 ILE CD1 C 14.700 0.400 1 870 86 86 ILE N N 120.118 0.400 1 871 87 87 LEU H H 8.266 0.020 1 872 87 87 LEU HA H 4.073 0.020 1 873 87 87 LEU HB2 H 1.865 0.020 2 874 87 87 LEU HB3 H 1.540 0.020 2 875 87 87 LEU HG H 1.919 0.020 1 876 87 87 LEU HD1 H 0.891 0.020 2 877 87 87 LEU HD2 H 0.703 0.020 2 878 87 87 LEU CA C 56.500 0.400 1 879 87 87 LEU CB C 41.299 0.400 1 880 87 87 LEU CG C 26.226 0.400 1 881 87 87 LEU CD1 C 25.132 0.400 1 882 87 87 LEU CD2 C 22.092 0.400 1 883 87 87 LEU N N 118.574 0.400 1 884 88 88 SER H H 8.081 0.020 1 885 88 88 SER HA H 4.402 0.020 1 886 88 88 SER HB2 H 3.997 0.020 1 887 88 88 SER HB3 H 3.997 0.020 1 888 88 88 SER CA C 59.317 0.400 1 889 88 88 SER CB C 63.412 0.400 1 890 88 88 SER N N 112.968 0.400 1 891 89 89 GLY H H 8.005 0.020 1 892 89 89 GLY HA2 H 3.937 0.020 2 893 89 89 GLY HA3 H 4.041 0.020 2 894 89 89 GLY CA C 45.607 0.400 1 895 89 89 GLY N N 110.018 0.400 1 896 90 90 LYS H H 8.008 0.020 1 897 90 90 LYS HA H 4.317 0.020 1 898 90 90 LYS HB2 H 1.711 0.020 2 899 90 90 LYS HB3 H 1.850 0.020 2 900 90 90 LYS HG2 H 1.413 0.020 1 901 90 90 LYS HG3 H 1.413 0.020 1 902 90 90 LYS HD2 H 1.631 0.020 1 903 90 90 LYS HD3 H 1.631 0.020 1 904 90 90 LYS HE2 H 2.935 0.020 1 905 90 90 LYS HE3 H 2.935 0.020 1 906 90 90 LYS CA C 55.959 0.400 1 907 90 90 LYS CB C 32.554 0.400 1 908 90 90 LYS CG C 24.038 0.400 1 909 90 90 LYS CD C 28.412 0.400 1 910 90 90 LYS CE C 41.509 0.400 1 911 90 90 LYS N N 119.834 0.400 1 912 91 91 SER H H 8.179 0.020 1 913 91 91 SER HA H 4.357 0.020 1 914 91 91 SER HB2 H 3.873 0.020 1 915 91 91 SER HB3 H 3.873 0.020 1 916 91 91 SER CA C 58.171 0.400 1 917 91 91 SER CB C 63.087 0.400 1 918 91 91 SER N N 115.231 0.400 1 919 92 92 ARG H H 8.383 0.020 1 920 92 92 ARG HA H 4.275 0.020 1 921 92 92 ARG CA C 55.985 0.400 1 922 92 92 ARG N N 122.647 0.400 1 923 93 93 GLU H H 8.408 0.020 1 924 93 93 GLU HA H 4.055 0.020 1 925 93 93 GLU HB2 H 1.918 0.020 1 926 93 93 GLU HB3 H 1.918 0.020 1 927 93 93 GLU HG2 H 2.236 0.020 1 928 93 93 GLU HG3 H 2.236 0.020 1 929 93 93 GLU CA C 56.594 0.400 1 930 93 93 GLU CB C 29.448 0.400 1 931 93 93 GLU CG C 36.071 0.400 1 932 93 93 GLU N N 120.781 0.400 1 933 94 94 LYS H H 8.148 0.020 1 934 94 94 LYS HA H 4.198 0.020 1 935 94 94 LYS HB2 H 1.657 0.020 1 936 94 94 LYS HB3 H 1.657 0.020 1 937 94 94 LYS HG2 H 1.317 0.020 1 938 94 94 LYS HG3 H 1.317 0.020 1 939 94 94 LYS CA C 56.035 0.400 1 940 94 94 LYS CB C 32.172 0.400 1 941 94 94 LYS CG C 24.031 0.400 1 942 94 94 LYS N N 120.821 0.400 1 943 95 95 PHE H H 8.172 0.020 1 944 95 95 PHE HA H 4.562 0.020 1 945 95 95 PHE HB2 H 3.002 0.020 2 946 95 95 PHE HB3 H 3.100 0.020 2 947 95 95 PHE HD1 H 7.204 0.020 1 948 95 95 PHE HD2 H 7.204 0.020 1 949 95 95 PHE HE1 H 7.268 0.020 1 950 95 95 PHE HE2 H 7.268 0.020 1 951 95 95 PHE HZ H 7.239 0.020 1 952 95 95 PHE CA C 57.341 0.400 1 953 95 95 PHE CB C 38.844 0.400 1 954 95 95 PHE CD1 C 131.130 0.400 1 955 95 95 PHE CE1 C 130.845 0.400 1 956 95 95 PHE N N 120.657 0.400 1 957 96 96 GLN H H 8.256 0.020 1 958 96 96 GLN HA H 4.283 0.020 1 959 96 96 GLN HB2 H 1.913 0.020 1 960 96 96 GLN HE21 H 6.844 0.020 2 961 96 96 GLN HE22 H 7.499 0.020 2 962 96 96 GLN CA C 55.430 0.400 1 963 96 96 GLN CB C 28.936 0.400 1 964 96 96 GLN N N 121.865 0.400 1 965 96 96 GLN NE2 N 112.095 0.400 1 966 97 97 GLY H H 7.926 0.020 1 967 97 97 GLY N N 109.195 0.400 1 968 98 98 LYS H H 8.145 0.020 1 969 98 98 LYS HA H 4.302 0.020 1 970 98 98 LYS HB2 H 1.691 0.020 1 971 98 98 LYS CA C 55.640 0.400 1 972 98 98 LYS CB C 32.448 0.400 1 973 98 98 LYS N N 120.394 0.400 1 974 99 99 LEU H H 8.289 0.020 1 975 99 99 LEU HA H 4.289 0.020 1 976 99 99 LEU HB2 H 1.438 0.020 1 977 99 99 LEU HG H 1.539 0.020 1 978 99 99 LEU HD1 H 0.840 0.020 2 979 99 99 LEU HD2 H 0.803 0.020 2 980 99 99 LEU CA C 54.494 0.400 1 981 99 99 LEU CB C 41.766 0.400 1 982 99 99 LEU CG C 26.484 0.400 1 983 99 99 LEU CD1 C 24.541 0.400 1 984 99 99 LEU CD2 C 22.959 0.400 1 985 99 99 LEU N N 123.254 0.400 1 986 100 100 GLU H H 8.339 0.020 1 987 100 100 GLU HB2 H 1.842 0.020 1 988 100 100 GLU HB3 H 1.842 0.020 1 989 100 100 GLU HG2 H 2.112 0.020 1 990 100 100 GLU HG3 H 2.112 0.020 1 991 100 100 GLU CB C 29.695 0.400 1 992 100 100 GLU CG C 35.547 0.400 1 993 100 100 GLU N N 121.442 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D sparse-sampled HNCO' '3D sparse-sampled HNCA' '3D sparse-sampled HNCACB' '3D sparse-sampled HN(CO)CA' '3D sparse-sampled HN(COCA)CB' '3D (HACA)CO(CA)NH' '3D sparse-sampled HA(CACO)NH' '3D sparse-sampled HA(CA)NH' '4D sparse-sampled HC(CO)NH-TOCSY' stop_ loop_ _Sample_label $15N_labeled $13C15N_labeled stop_ _Sample_conditions_label $sample_conditions_1 _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 1 200 3 HIS HA H 4.701 0.020 1 2 200 3 HIS HB2 H 3.027 0.020 1 3 200 3 HIS HB3 H 3.027 0.020 1 4 200 3 HIS HD2 H 6.896 0.020 1 5 200 3 HIS CA C 55.778 0.400 1 6 200 3 HIS CB C 30.309 0.400 1 7 201 4 MET H H 9.176 0.020 1 8 201 4 MET HA H 4.659 0.020 1 9 201 4 MET HB2 H 1.851 0.020 1 10 201 4 MET HB3 H 1.851 0.020 1 11 201 4 MET HG2 H 2.367 0.020 2 12 201 4 MET HG3 H 1.984 0.020 2 13 201 4 MET HE H 1.611 0.020 1 14 201 4 MET CA C 53.802 0.400 1 15 201 4 MET CB C 34.435 0.400 1 16 201 4 MET CG C 31.378 0.400 1 17 201 4 MET CE C 17.257 0.400 1 18 201 4 MET N N 119.642 0.400 1 19 202 5 GLN H H 8.404 0.020 1 20 202 5 GLN HA H 5.351 0.020 1 21 202 5 GLN HB2 H 2.174 0.020 2 22 202 5 GLN HB3 H 1.925 0.020 2 23 202 5 GLN HG2 H 1.605 0.020 2 24 202 5 GLN HG3 H 1.782 0.020 2 25 202 5 GLN HE21 H 6.718 0.020 2 26 202 5 GLN HE22 H 7.664 0.020 2 27 202 5 GLN CA C 53.685 0.400 1 28 202 5 GLN CB C 33.878 0.400 1 29 202 5 GLN CG C 30.249 0.400 1 30 202 5 GLN N N 120.764 0.400 1 31 202 5 GLN NE2 N 111.755 0.400 1 32 203 6 ILE H H 8.285 0.020 1 33 203 6 ILE HA H 4.149 0.020 1 34 203 6 ILE HB H 1.745 0.020 1 35 203 6 ILE HG12 H 0.792 0.020 2 36 203 6 ILE HG13 H 1.035 0.020 2 37 203 6 ILE HG2 H 0.604 0.020 1 38 203 6 ILE HD1 H 0.566 0.020 1 39 203 6 ILE CA C 59.034 0.400 1 40 203 6 ILE CB C 41.528 0.400 1 41 203 6 ILE CG2 C 17.395 0.400 1 42 203 6 ILE CD1 C 13.650 0.400 1 43 203 6 ILE N N 114.142 0.400 1 44 204 7 PHE H H 8.576 0.020 1 45 204 7 PHE HA H 5.511 0.020 1 46 204 7 PHE HB2 H 2.826 0.020 2 47 204 7 PHE HB3 H 3.014 0.020 2 48 204 7 PHE HD1 H 7.037 0.020 1 49 204 7 PHE HD2 H 7.037 0.020 1 50 204 7 PHE HE1 H 7.198 0.020 1 51 204 7 PHE HE2 H 7.198 0.020 1 52 204 7 PHE HZ H 7.220 0.020 1 53 204 7 PHE CA C 54.633 0.400 1 54 204 7 PHE CB C 40.694 0.400 1 55 204 7 PHE CD1 C 131.392 0.400 1 56 204 7 PHE CE1 C 130.298 0.400 1 57 204 7 PHE CZ C 128.978 0.400 1 58 204 7 PHE N N 118.336 0.400 1 59 205 8 VAL H H 9.357 0.020 1 60 205 8 VAL HA H 4.775 0.020 1 61 205 8 VAL HB H 1.890 0.020 1 62 205 8 VAL HG1 H 0.696 0.020 2 63 205 8 VAL HG2 H 0.659 0.020 2 64 205 8 VAL CA C 59.853 0.400 1 65 205 8 VAL CB C 33.400 0.400 1 66 205 8 VAL CG1 C 20.249 0.400 1 67 205 8 VAL CG2 C 22.171 0.400 1 68 205 8 VAL N N 121.834 0.400 1 69 206 9 LYS H H 9.074 0.020 1 70 206 9 LYS HA H 5.556 0.020 1 71 206 9 LYS HB2 H 1.726 0.020 2 72 206 9 LYS HB3 H 1.508 0.020 2 73 206 9 LYS HG2 H 1.280 0.020 2 74 206 9 LYS HG3 H 1.530 0.020 2 75 206 9 LYS HD2 H 1.570 0.020 1 76 206 9 LYS HD3 H 1.570 0.020 1 77 206 9 LYS HE2 H 2.836 0.020 1 78 206 9 LYS HE3 H 2.836 0.020 1 79 206 9 LYS CA C 53.574 0.400 1 80 206 9 LYS CB C 34.914 0.400 1 81 206 9 LYS CG C 24.808 0.400 1 82 206 9 LYS CD C 28.875 0.400 1 83 206 9 LYS CE C 41.364 0.400 1 84 206 9 LYS N N 127.957 0.400 1 85 207 10 THR H H 8.785 0.020 1 86 207 10 THR HA H 5.103 0.020 1 87 207 10 THR HB H 4.866 0.020 1 88 207 10 THR HG2 H 1.193 0.020 1 89 207 10 THR CA C 59.573 0.400 1 90 207 10 THR CB C 70.039 0.400 1 91 207 10 THR CG2 C 21.034 0.400 1 92 207 10 THR N N 114.380 0.400 1 93 208 11 LEU H H 8.803 0.020 1 94 208 11 LEU HA H 4.223 0.020 1 95 208 11 LEU HB2 H 1.846 0.020 2 96 208 11 LEU HB3 H 1.939 0.020 2 97 208 11 LEU HG H 1.981 0.020 1 98 208 11 LEU HD1 H 1.074 0.020 2 99 208 11 LEU HD2 H 1.008 0.020 2 100 208 11 LEU CA C 56.592 0.400 1 101 208 11 LEU CB C 42.306 0.400 1 102 208 11 LEU CG C 26.709 0.400 1 103 208 11 LEU CD1 C 24.839 0.400 1 104 208 11 LEU CD2 C 24.585 0.400 1 105 208 11 LEU N N 119.226 0.400 1 106 209 12 THR H H 7.506 0.020 1 107 209 12 THR HA H 4.576 0.020 1 108 209 12 THR HB H 4.577 0.020 1 109 209 12 THR HG2 H 1.212 0.020 1 110 209 12 THR CA C 60.439 0.400 1 111 209 12 THR CB C 68.578 0.400 1 112 209 12 THR CG2 C 21.269 0.400 1 113 209 12 THR N N 103.271 0.400 1 114 210 13 GLY H H 8.099 0.020 1 115 210 13 GLY HA2 H 3.531 0.020 2 116 210 13 GLY HA3 H 4.360 0.020 2 117 210 13 GLY CA C 44.829 0.400 1 118 210 13 GLY N N 109.377 0.400 1 119 211 14 LYS H H 7.319 0.020 1 120 211 14 LYS HA H 4.272 0.020 1 121 211 14 LYS HB2 H 1.701 0.020 2 122 211 14 LYS HB3 H 1.819 0.020 2 123 211 14 LYS HG2 H 1.411 0.020 2 124 211 14 LYS HG3 H 1.198 0.020 2 125 211 14 LYS HD2 H 1.594 0.020 1 126 211 14 LYS HD3 H 1.594 0.020 1 127 211 14 LYS HE2 H 2.882 0.020 1 128 211 14 LYS HE3 H 2.882 0.020 1 129 211 14 LYS CA C 56.005 0.400 1 130 211 14 LYS CB C 32.766 0.400 1 131 211 14 LYS CG C 24.820 0.400 1 132 211 14 LYS CD C 28.890 0.400 1 133 211 14 LYS CE C 41.268 0.400 1 134 211 14 LYS N N 122.685 0.400 1 135 212 15 THR H H 8.602 0.020 1 136 212 15 THR HA H 5.046 0.020 1 137 212 15 THR HB H 3.916 0.020 1 138 212 15 THR HG2 H 1.055 0.020 1 139 212 15 THR CA C 61.817 0.400 1 140 212 15 THR CB C 69.178 0.400 1 141 212 15 THR CG2 C 21.306 0.400 1 142 212 15 THR N N 120.675 0.400 1 143 213 16 ILE H H 9.715 0.020 1 144 213 16 ILE HA H 4.404 0.020 1 145 213 16 ILE HB H 1.834 0.020 1 146 213 16 ILE HG12 H 1.036 0.020 2 147 213 16 ILE HG13 H 1.438 0.020 2 148 213 16 ILE HG2 H 0.845 0.020 1 149 213 16 ILE HD1 H 0.685 0.020 1 150 213 16 ILE CA C 59.570 0.400 1 151 213 16 ILE CB C 40.459 0.400 1 152 213 16 ILE CG1 C 26.548 0.400 1 153 213 16 ILE CG2 C 17.173 0.400 1 154 213 16 ILE CD1 C 14.128 0.400 1 155 213 16 ILE N N 129.294 0.400 1 156 214 17 THR H H 8.761 0.020 1 157 214 17 THR HA H 4.900 0.020 1 158 214 17 THR HB H 3.993 0.020 1 159 214 17 THR HG2 H 1.096 0.020 1 160 214 17 THR CA C 61.724 0.400 1 161 214 17 THR CB C 68.907 0.400 1 162 214 17 THR CG2 C 21.119 0.400 1 163 214 17 THR N N 122.640 0.400 1 164 215 18 LEU H H 8.713 0.020 1 165 215 18 LEU HA H 4.755 0.020 1 166 215 18 LEU HB2 H 1.176 0.020 2 167 215 18 LEU HB3 H 1.358 0.020 2 168 215 18 LEU HG H 1.391 0.020 1 169 215 18 LEU HD1 H 0.686 0.020 2 170 215 18 LEU HD2 H 0.730 0.020 2 171 215 18 LEU CA C 52.203 0.400 1 172 215 18 LEU CB C 46.380 0.400 1 173 215 18 LEU CG C 26.197 0.400 1 174 215 18 LEU CD1 C 26.705 0.400 1 175 215 18 LEU CD2 C 23.537 0.400 1 176 215 18 LEU N N 124.951 0.400 1 177 216 19 GLU H H 8.142 0.020 1 178 216 19 GLU HA H 4.886 0.020 1 179 216 19 GLU HB2 H 1.787 0.020 2 180 216 19 GLU HB3 H 1.847 0.020 2 181 216 19 GLU HG2 H 2.040 0.020 2 182 216 19 GLU HG3 H 2.150 0.020 2 183 216 19 GLU CA C 54.909 0.400 1 184 216 19 GLU CB C 29.806 0.400 1 185 216 19 GLU CG C 36.108 0.400 1 186 216 19 GLU N N 121.581 0.400 1 187 217 20 VAL H H 8.811 0.020 1 188 217 20 VAL HA H 4.717 0.020 1 189 217 20 VAL HB H 2.359 0.020 1 190 217 20 VAL HG1 H 0.647 0.020 2 191 217 20 VAL HG2 H 0.446 0.020 2 192 217 20 VAL CA C 58.052 0.400 1 193 217 20 VAL CB C 35.828 0.400 1 194 217 20 VAL CG1 C 21.570 0.400 1 195 217 20 VAL CG2 C 18.810 0.400 1 196 217 20 VAL N N 116.443 0.400 1 197 218 21 GLU H H 8.568 0.020 1 198 218 21 GLU HA H 4.909 0.020 1 199 218 21 GLU HB2 H 1.613 0.020 2 200 218 21 GLU HB3 H 1.992 0.020 2 201 218 21 GLU HG2 H 1.945 0.020 2 202 218 21 GLU HG3 H 2.083 0.020 2 203 218 21 GLU CA C 52.791 0.400 1 204 218 21 GLU CB C 30.879 0.400 1 205 218 21 GLU CG C 35.845 0.400 1 206 218 21 GLU N N 118.305 0.400 1 207 219 22 PRO HA H 4.086 0.020 1 208 219 22 PRO HB2 H 2.389 0.020 2 209 219 22 PRO HB3 H 1.960 0.020 2 210 219 22 PRO HG2 H 2.014 0.020 2 211 219 22 PRO HG3 H 2.140 0.020 2 212 219 22 PRO HD2 H 3.775 0.020 2 213 219 22 PRO HD3 H 3.870 0.020 2 214 219 22 PRO CA C 64.839 0.400 1 215 219 22 PRO CB C 31.372 0.400 1 216 219 22 PRO CG C 27.372 0.400 1 217 219 22 PRO CD C 50.032 0.400 1 218 220 23 SER H H 7.048 0.020 1 219 220 23 SER HA H 4.317 0.020 1 220 220 23 SER HB2 H 3.733 0.020 2 221 220 23 SER HB3 H 4.093 0.020 2 222 220 23 SER CA C 56.846 0.400 1 223 220 23 SER CB C 62.640 0.400 1 224 220 23 SER N N 103.487 0.400 1 225 221 24 ASP H H 8.012 0.020 1 226 221 24 ASP HA H 4.646 0.020 1 227 221 24 ASP HB2 H 2.909 0.020 2 228 221 24 ASP HB3 H 2.458 0.020 2 229 221 24 ASP CA C 55.438 0.400 1 230 221 24 ASP CB C 40.419 0.400 1 231 221 24 ASP N N 123.685 0.400 1 232 222 25 THR H H 7.813 0.020 1 233 222 25 THR HA H 4.867 0.020 1 234 222 25 THR HB H 4.799 0.020 1 235 222 25 THR HG2 H 1.223 0.020 1 236 222 25 THR CA C 58.978 0.400 1 237 222 25 THR CB C 70.510 0.400 1 238 222 25 THR CG2 C 21.574 0.400 1 239 222 25 THR N N 108.936 0.400 1 240 223 26 ILE H H 8.512 0.020 1 241 223 26 ILE HA H 3.628 0.020 1 242 223 26 ILE HB H 2.560 0.020 1 243 223 26 ILE HG12 H 1.277 0.020 2 244 223 26 ILE HG13 H 1.906 0.020 2 245 223 26 ILE HG2 H 0.758 0.020 1 246 223 26 ILE HD1 H 0.542 0.020 1 247 223 26 ILE CA C 61.708 0.400 1 248 223 26 ILE CB C 33.808 0.400 1 249 223 26 ILE CG1 C 27.279 0.400 1 250 223 26 ILE CG2 C 17.555 0.400 1 251 223 26 ILE CD1 C 8.756 0.400 1 252 223 26 ILE N N 121.443 0.400 1 253 224 27 GLU H H 9.779 0.020 1 254 224 27 GLU HA H 3.810 0.020 1 255 224 27 GLU HB2 H 2.003 0.020 2 256 224 27 GLU HB3 H 2.085 0.020 2 257 224 27 GLU HG2 H 2.250 0.020 1 258 224 27 GLU HG3 H 2.250 0.020 1 259 224 27 GLU CA C 59.563 0.400 1 260 224 27 GLU CB C 28.461 0.400 1 261 224 27 GLU CG C 35.546 0.400 1 262 224 27 GLU N N 120.709 0.400 1 263 225 28 ASN H H 7.934 0.020 1 264 225 28 ASN HA H 4.565 0.020 1 265 225 28 ASN HB2 H 3.213 0.020 2 266 225 28 ASN HB3 H 2.805 0.020 2 267 225 28 ASN HD21 H 6.882 0.020 2 268 225 28 ASN HD22 H 7.867 0.020 2 269 225 28 ASN CA C 55.298 0.400 1 270 225 28 ASN CB C 37.671 0.400 1 271 225 28 ASN N N 121.015 0.400 1 272 225 28 ASN ND2 N 109.609 0.400 1 273 226 29 VAL H H 8.145 0.020 1 274 226 29 VAL HA H 3.361 0.020 1 275 226 29 VAL HB H 2.267 0.020 1 276 226 29 VAL HG1 H 0.679 0.020 2 277 226 29 VAL HG2 H 0.938 0.020 2 278 226 29 VAL CA C 67.191 0.400 1 279 226 29 VAL CB C 30.277 0.400 1 280 226 29 VAL CG1 C 21.058 0.400 1 281 226 29 VAL CG2 C 23.162 0.400 1 282 226 29 VAL N N 122.130 0.400 1 283 227 30 LYS H H 8.505 0.020 1 284 227 30 LYS HA H 4.570 0.020 1 285 227 30 LYS HB2 H 1.386 0.020 2 286 227 30 LYS HB3 H 1.980 0.020 2 287 227 30 LYS HG3 H 1.576 0.020 1 288 227 30 LYS HE2 H 2.519 0.020 1 289 227 30 LYS HE3 H 2.519 0.020 1 290 227 30 LYS CA C 58.739 0.400 1 291 227 30 LYS N N 119.034 0.400 1 292 228 31 ALA H H 7.958 0.020 1 293 228 31 ALA HA H 4.118 0.020 1 294 228 31 ALA HB H 1.601 0.020 1 295 228 31 ALA CA C 54.705 0.400 1 296 228 31 ALA CB C 17.190 0.400 1 297 228 31 ALA N N 123.314 0.400 1 298 229 32 LYS H H 7.922 0.020 1 299 229 32 LYS HA H 4.169 0.020 1 300 229 32 LYS HB2 H 2.124 0.020 2 301 229 32 LYS HB3 H 1.927 0.020 2 302 229 32 LYS HG2 H 1.775 0.020 2 303 229 32 LYS HG3 H 1.588 0.020 2 304 229 32 LYS HD2 H 1.413 0.020 2 305 229 32 LYS HD3 H 1.776 0.020 2 306 229 32 LYS HE2 H 2.922 0.020 2 307 229 32 LYS HE3 H 3.180 0.020 2 308 229 32 LYS CA C 59.317 0.400 1 309 229 32 LYS CB C 32.789 0.400 1 310 229 32 LYS CG C 25.949 0.400 1 311 229 32 LYS CD C 29.710 0.400 1 312 229 32 LYS CE C 41.788 0.400 1 313 229 32 LYS N N 120.410 0.400 1 314 230 33 ILE H H 8.274 0.020 1 315 230 33 ILE HA H 3.479 0.020 1 316 230 33 ILE HB H 2.326 0.020 1 317 230 33 ILE HG12 H 0.667 0.020 2 318 230 33 ILE HG13 H 1.990 0.020 2 319 230 33 ILE HG2 H 0.672 0.020 1 320 230 33 ILE HD1 H 0.867 0.020 1 321 230 33 ILE CA C 65.592 0.400 1 322 230 33 ILE CB C 36.104 0.400 1 323 230 33 ILE CG1 C 30.614 0.400 1 324 230 33 ILE CG2 C 16.565 0.400 1 325 230 33 ILE CD1 C 14.511 0.400 1 326 230 33 ILE N N 121.373 0.400 1 327 231 34 GLN H H 8.486 0.020 1 328 231 34 GLN HA H 3.793 0.020 1 329 231 34 GLN HB2 H 1.983 0.020 2 330 231 34 GLN HB3 H 2.483 0.020 2 331 231 34 GLN HG2 H 1.892 0.020 2 332 231 34 GLN HG3 H 2.206 0.020 2 333 231 34 GLN HE21 H 7.643 0.020 2 334 231 34 GLN HE22 H 6.795 0.020 2 335 231 34 GLN CA C 59.524 0.400 1 336 231 34 GLN CB C 27.094 0.400 1 337 231 34 GLN CG C 33.260 0.400 1 338 231 34 GLN N N 123.532 0.400 1 339 231 34 GLN NE2 N 110.080 0.400 1 340 232 35 ASP H H 8.064 0.020 1 341 232 35 ASP HA H 4.297 0.020 1 342 232 35 ASP HB2 H 2.715 0.020 2 343 232 35 ASP HB3 H 2.811 0.020 2 344 232 35 ASP CA C 56.882 0.400 1 345 232 35 ASP CB C 40.474 0.400 1 346 232 35 ASP N N 119.882 0.400 1 347 233 36 LYS H H 7.476 0.020 1 348 233 36 LYS HA H 4.263 0.020 1 349 233 36 LYS HB2 H 1.813 0.020 2 350 233 36 LYS HB3 H 1.977 0.020 2 351 233 36 LYS HG2 H 1.574 0.020 1 352 233 36 LYS HG3 H 1.574 0.020 1 353 233 36 LYS HD2 H 1.683 0.020 1 354 233 36 LYS HD3 H 1.683 0.020 1 355 233 36 LYS HE2 H 3.100 0.020 2 356 233 36 LYS HE3 H 3.148 0.020 2 357 233 36 LYS CA C 57.733 0.400 1 358 233 36 LYS CB C 33.373 0.400 1 359 233 36 LYS CG C 24.816 0.400 1 360 233 36 LYS CD C 28.379 0.400 1 361 233 36 LYS CE C 41.267 0.400 1 362 233 36 LYS N N 115.529 0.400 1 363 234 37 GLU H H 8.683 0.020 1 364 234 37 GLU HA H 4.548 0.020 1 365 234 37 GLU HB2 H 1.637 0.020 2 366 234 37 GLU HB3 H 2.246 0.020 2 367 234 37 GLU HG2 H 2.036 0.020 2 368 234 37 GLU HG3 H 2.149 0.020 2 369 234 37 GLU CA C 54.705 0.400 1 370 234 37 GLU CB C 32.746 0.400 1 371 234 37 GLU CG C 35.751 0.400 1 372 234 37 GLU N N 113.898 0.400 1 373 235 38 GLY H H 8.468 0.020 1 374 235 38 GLY HA2 H 3.889 0.020 2 375 235 38 GLY HA3 H 4.102 0.020 2 376 235 38 GLY CA C 45.372 0.400 1 377 235 38 GLY N N 108.842 0.400 1 378 236 39 ILE H H 6.101 0.020 1 379 236 39 ILE HA H 4.338 0.020 1 380 236 39 ILE HB H 1.376 0.020 1 381 236 39 ILE HG12 H 1.066 0.020 2 382 236 39 ILE HG13 H 1.366 0.020 2 383 236 39 ILE HG2 H 0.900 0.020 1 384 236 39 ILE HD1 H 0.746 0.020 1 385 236 39 ILE CA C 57.350 0.400 1 386 236 39 ILE CB C 39.966 0.400 1 387 236 39 ILE CG1 C 26.472 0.400 1 388 236 39 ILE CG2 C 17.340 0.400 1 389 236 39 ILE CD1 C 13.068 0.400 1 390 236 39 ILE N N 120.300 0.400 1 391 237 40 PRO HA H 4.586 0.020 1 392 237 40 PRO HB2 H 2.044 0.020 2 393 237 40 PRO HB3 H 2.403 0.020 2 394 237 40 PRO HG2 H 2.097 0.020 1 395 237 40 PRO HG3 H 2.097 0.020 1 396 237 40 PRO HD2 H 3.545 0.020 2 397 237 40 PRO HD3 H 4.174 0.020 2 398 237 40 PRO CA C 60.958 0.400 1 399 237 40 PRO CB C 31.411 0.400 1 400 237 40 PRO CG C 27.846 0.400 1 401 237 40 PRO CD C 50.531 0.400 1 402 238 41 PRO HA H 4.102 0.020 1 403 238 41 PRO HB2 H 2.214 0.020 2 404 238 41 PRO HB3 H 1.991 0.020 2 405 238 41 PRO HG2 H 1.601 0.020 2 406 238 41 PRO HG3 H 2.154 0.020 2 407 238 41 PRO HD2 H 3.734 0.020 1 408 238 41 PRO HD3 H 3.734 0.020 1 409 238 41 PRO CA C 65.559 0.400 1 410 238 41 PRO CB C 32.251 0.400 1 411 238 41 PRO CG C 27.193 0.400 1 412 238 41 PRO CD C 50.604 0.400 1 413 239 42 ASP H H 8.535 0.020 1 414 239 42 ASP HA H 4.355 0.020 1 415 239 42 ASP HB2 H 2.637 0.020 2 416 239 42 ASP HB3 H 2.747 0.020 2 417 239 42 ASP CA C 54.957 0.400 1 418 239 42 ASP CB C 39.111 0.400 1 419 239 42 ASP N N 113.639 0.400 1 420 240 43 GLN H H 7.763 0.020 1 421 240 43 GLN HA H 4.338 0.020 1 422 240 43 GLN HB2 H 1.819 0.020 2 423 240 43 GLN HB3 H 2.462 0.020 2 424 240 43 GLN HG2 H 2.388 0.020 1 425 240 43 GLN HG3 H 2.388 0.020 1 426 240 43 GLN HE21 H 6.734 0.020 2 427 240 43 GLN HE22 H 7.660 0.020 2 428 240 43 GLN CA C 54.945 0.400 1 429 240 43 GLN CB C 29.520 0.400 1 430 240 43 GLN CG C 33.646 0.400 1 431 240 43 GLN N N 116.582 0.400 1 432 240 43 GLN NE2 N 111.331 0.400 1 433 241 44 GLN H H 7.505 0.020 1 434 241 44 GLN HA H 4.023 0.020 1 435 241 44 GLN HB2 H 1.778 0.020 2 436 241 44 GLN HB3 H 1.902 0.020 2 437 241 44 GLN HG2 H 1.594 0.020 2 438 241 44 GLN HG3 H 2.499 0.020 2 439 241 44 GLN HE21 H 5.985 0.020 2 440 241 44 GLN HE22 H 6.476 0.020 2 441 241 44 GLN CA C 56.318 0.400 1 442 241 44 GLN CG C 33.049 0.400 1 443 241 44 GLN N N 117.787 0.400 1 444 241 44 GLN NE2 N 104.250 0.400 1 445 242 45 ARG H H 7.664 0.020 1 446 242 45 ARG HA H 4.474 0.020 1 447 242 45 ARG HB2 H 1.404 0.020 1 448 242 45 ARG HB3 H 1.404 0.020 1 449 242 45 ARG HG2 H 1.431 0.020 1 450 242 45 ARG HG3 H 1.431 0.020 1 451 242 45 ARG HD2 H 2.932 0.020 2 452 242 45 ARG HD3 H 3.110 0.020 2 453 242 45 ARG CA C 54.829 0.400 1 454 242 45 ARG CB C 31.148 0.400 1 455 242 45 ARG CG C 25.964 0.400 1 456 242 45 ARG CD C 43.729 0.400 1 457 243 46 LEU H H 8.776 0.020 1 458 243 46 LEU HA H 5.331 0.020 1 459 243 46 LEU HB2 H 1.130 0.020 2 460 243 46 LEU HB3 H 1.476 0.020 2 461 243 46 LEU HG H 1.424 0.020 1 462 243 46 LEU HD1 H 0.739 0.020 2 463 243 46 LEU HD2 H 0.772 0.020 2 464 243 46 LEU CA C 52.389 0.400 1 465 243 46 LEU CB C 45.014 0.400 1 466 243 46 LEU CG C 26.773 0.400 1 467 243 46 LEU CD1 C 26.163 0.400 1 468 243 46 LEU CD2 C 23.774 0.400 1 469 243 46 LEU N N 123.359 0.400 1 470 244 47 ILE H H 9.265 0.020 1 471 244 47 ILE HA H 4.967 0.020 1 472 244 47 ILE HB H 1.826 0.020 1 473 244 47 ILE HG12 H 1.081 0.020 2 474 244 47 ILE HG13 H 1.196 0.020 2 475 244 47 ILE HG2 H 0.770 0.020 1 476 244 47 ILE HD1 H 0.636 0.020 1 477 244 47 ILE CA C 58.176 0.400 1 478 244 47 ILE CB C 40.682 0.400 1 479 244 47 ILE CG1 C 28.386 0.400 1 480 244 47 ILE CG2 C 18.303 0.400 1 481 244 47 ILE CD1 C 12.812 0.400 1 482 244 47 ILE N N 123.222 0.400 1 483 245 48 PHE H H 8.798 0.020 1 484 245 48 PHE HA H 5.171 0.020 1 485 245 48 PHE HB2 H 2.745 0.020 2 486 245 48 PHE HB3 H 3.009 0.020 2 487 245 48 PHE HD1 H 7.322 0.020 1 488 245 48 PHE HD2 H 7.322 0.020 1 489 245 48 PHE HE1 H 7.473 0.020 1 490 245 48 PHE HE2 H 7.473 0.020 1 491 245 48 PHE HZ H 7.445 0.020 1 492 245 48 PHE CA C 56.253 0.400 1 493 245 48 PHE CB C 43.448 0.400 1 494 245 48 PHE CD2 C 131.392 0.400 1 495 245 48 PHE CE2 C 131.392 0.400 1 496 245 48 PHE CZ C 129.494 0.400 1 497 245 48 PHE N N 124.708 0.400 1 498 246 49 ALA H H 8.771 0.020 1 499 246 49 ALA HA H 3.710 0.020 1 500 246 49 ALA HB H 0.873 0.020 1 501 246 49 ALA CA C 51.900 0.400 1 502 246 49 ALA CB C 16.053 0.400 1 503 246 49 ALA N N 132.278 0.400 1 504 247 50 GLY H H 8.450 0.020 1 505 247 50 GLY HA2 H 3.376 0.020 2 506 247 50 GLY HA3 H 4.035 0.020 2 507 247 50 GLY CA C 44.840 0.400 1 508 247 50 GLY N N 102.336 0.400 1 509 248 51 LYS H H 7.818 0.020 1 510 248 51 LYS HA H 4.648 0.020 1 511 248 51 LYS HB2 H 1.845 0.020 1 512 248 51 LYS HB3 H 1.845 0.020 1 513 248 51 LYS HG2 H 1.486 0.020 1 514 248 51 LYS HG3 H 1.486 0.020 1 515 248 51 LYS HD2 H 1.818 0.020 1 516 248 51 LYS HD3 H 1.818 0.020 1 517 248 51 LYS HE2 H 3.122 0.020 1 518 248 51 LYS HE3 H 3.122 0.020 1 519 248 51 LYS CA C 53.803 0.400 1 520 248 51 LYS CB C 34.425 0.400 1 521 248 51 LYS CG C 23.749 0.400 1 522 248 51 LYS CD C 28.407 0.400 1 523 248 51 LYS CE C 41.525 0.400 1 524 248 51 LYS N N 119.982 0.400 1 525 249 52 GLN H H 8.818 0.020 1 526 249 52 GLN HA H 4.522 0.020 1 527 249 52 GLN HB2 H 1.893 0.020 2 528 249 52 GLN HB3 H 1.993 0.020 2 529 249 52 GLN HG2 H 2.211 0.020 1 530 249 52 GLN HG3 H 2.211 0.020 1 531 249 52 GLN HE21 H 6.947 0.020 2 532 249 52 GLN HE22 H 7.746 0.020 2 533 249 52 GLN CA C 55.526 0.400 1 534 249 52 GLN CB C 28.424 0.400 1 535 249 52 GLN CG C 34.389 0.400 1 536 249 52 GLN N N 122.369 0.400 1 537 249 52 GLN NE2 N 112.132 0.400 1 538 250 53 LEU H H 8.674 0.020 1 539 250 53 LEU HA H 4.105 0.020 1 540 250 53 LEU HB2 H 1.057 0.020 2 541 250 53 LEU HB3 H 1.428 0.020 2 542 250 53 LEU HG H 1.494 0.020 1 543 250 53 LEU HD1 H 0.467 0.020 2 544 250 53 LEU HD2 H -0.197 0.020 2 545 250 53 LEU CA C 53.616 0.400 1 546 250 53 LEU CB C 41.272 0.400 1 547 250 53 LEU CG C 25.193 0.400 1 548 250 53 LEU CD1 C 25.209 0.400 1 549 250 53 LEU CD2 C 18.622 0.400 1 550 250 53 LEU N N 125.680 0.400 1 551 251 54 GLU H H 8.435 0.020 1 552 251 54 GLU HA H 4.443 0.020 1 553 251 54 GLU HB2 H 1.976 0.020 2 554 251 54 GLU HB3 H 2.200 0.020 2 555 251 54 GLU HG2 H 2.319 0.020 1 556 251 54 GLU HG3 H 2.319 0.020 1 557 251 54 GLU CA C 55.436 0.400 1 558 251 54 GLU CB C 31.422 0.400 1 559 251 54 GLU CG C 36.088 0.400 1 560 251 54 GLU N N 122.681 0.400 1 561 252 55 ASP H H 8.163 0.020 1 562 252 55 ASP HA H 4.346 0.020 1 563 252 55 ASP HB2 H 2.499 0.020 2 564 252 55 ASP HB3 H 2.587 0.020 2 565 252 55 ASP CA C 56.035 0.400 1 566 252 55 ASP CB C 40.415 0.400 1 567 252 55 ASP N N 120.385 0.400 1 568 253 56 GLY H H 9.314 0.020 1 569 253 56 GLY HA2 H 3.872 0.020 2 570 253 56 GLY HA3 H 4.075 0.020 2 571 253 56 GLY CA C 44.611 0.400 1 572 253 56 GLY N N 106.316 0.400 1 573 254 57 ARG H H 7.357 0.020 1 574 254 57 ARG HA H 4.654 0.020 1 575 254 57 ARG HB2 H 1.972 0.020 1 576 254 57 ARG HB3 H 1.972 0.020 1 577 254 57 ARG HG2 H 1.757 0.020 2 578 254 57 ARG HG3 H 1.681 0.020 2 579 254 57 ARG HD2 H 3.010 0.020 2 580 254 57 ARG HD3 H 3.081 0.020 2 581 254 57 ARG CA C 53.797 0.400 1 582 254 57 ARG CB C 32.002 0.400 1 583 254 57 ARG CG C 27.033 0.400 1 584 254 57 ARG CD C 42.295 0.400 1 585 254 57 ARG N N 119.099 0.400 1 586 255 58 THR H H 8.806 0.020 1 587 255 58 THR HA H 5.182 0.020 1 588 255 58 THR HB H 4.491 0.020 1 589 255 58 THR HG2 H 1.095 0.020 1 590 255 58 THR CA C 59.074 0.400 1 591 255 58 THR CB C 71.807 0.400 1 592 255 58 THR CG2 C 21.899 0.400 1 593 255 58 THR N N 108.586 0.400 1 594 256 59 LEU H H 8.157 0.020 1 595 256 59 LEU HA H 4.023 0.020 1 596 256 59 LEU HB2 H 2.064 0.020 2 597 256 59 LEU HB3 H 1.150 0.020 2 598 256 59 LEU HG H 1.714 0.020 1 599 256 59 LEU HD1 H 0.718 0.020 2 600 256 59 LEU HD2 H 0.586 0.020 2 601 256 59 LEU CA C 57.932 0.400 1 602 256 59 LEU CB C 39.626 0.400 1 603 256 59 LEU CG C 26.004 0.400 1 604 256 59 LEU CD1 C 26.228 0.400 1 605 256 59 LEU CD2 C 22.596 0.400 1 606 256 59 LEU N N 117.537 0.400 1 607 257 60 SER H H 8.319 0.020 1 608 257 60 SER HA H 4.204 0.020 1 609 257 60 SER HB2 H 3.705 0.020 2 610 257 60 SER HB3 H 3.798 0.020 2 611 257 60 SER CA C 60.494 0.400 1 612 257 60 SER CB C 62.006 0.400 1 613 257 60 SER N N 113.050 0.400 1 614 258 61 ASP H H 7.957 0.020 1 615 258 61 ASP HA H 4.222 0.020 1 616 258 61 ASP HB2 H 3.011 0.020 2 617 258 61 ASP HB3 H 2.244 0.020 2 618 258 61 ASP CA C 56.832 0.400 1 619 258 61 ASP CB C 39.852 0.400 1 620 258 61 ASP N N 124.570 0.400 1 621 259 62 TYR H H 7.199 0.020 1 622 259 62 TYR HA H 4.636 0.020 1 623 259 62 TYR HB2 H 2.497 0.020 2 624 259 62 TYR HB3 H 3.404 0.020 2 625 259 62 TYR HD1 H 7.204 0.020 1 626 259 62 TYR HD2 H 7.204 0.020 1 627 259 62 TYR HE1 H 6.862 0.020 1 628 259 62 TYR HE2 H 6.862 0.020 1 629 259 62 TYR CA C 57.736 0.400 1 630 259 62 TYR CB C 39.398 0.400 1 631 259 62 TYR CD2 C 132.760 0.400 1 632 259 62 TYR CE1 C 117.991 0.400 1 633 259 62 TYR CE2 C 117.991 0.400 1 634 259 62 TYR N N 115.532 0.400 1 635 260 63 ASN H H 8.133 0.020 1 636 260 63 ASN HA H 4.308 0.020 1 637 260 63 ASN HB2 H 2.784 0.020 2 638 260 63 ASN HB3 H 3.288 0.020 2 639 260 63 ASN HD21 H 6.804 0.020 2 640 260 63 ASN HD22 H 7.543 0.020 2 641 260 63 ASN CA C 53.549 0.400 1 642 260 63 ASN CB C 36.839 0.400 1 643 260 63 ASN N N 115.755 0.400 1 644 260 63 ASN ND2 N 111.459 0.400 1 645 261 64 ILE H H 7.325 0.020 1 646 261 64 ILE HA H 3.298 0.020 1 647 261 64 ILE HB H 1.349 0.020 1 648 261 64 ILE HG12 H 1.042 0.020 2 649 261 64 ILE HG13 H -0.583 0.020 2 650 261 64 ILE HG2 H 0.437 0.020 1 651 261 64 ILE HD1 H 0.099 0.020 1 652 261 64 ILE CA C 61.984 0.400 1 653 261 64 ILE CB C 36.140 0.400 1 654 261 64 ILE CG1 C 27.615 0.400 1 655 261 64 ILE CG2 C 17.449 0.400 1 656 261 64 ILE CD1 C 14.096 0.400 1 657 261 64 ILE N N 119.070 0.400 1 658 262 65 GLN H H 7.593 0.020 1 659 262 65 GLN HA H 4.448 0.020 1 660 262 65 GLN HB2 H 1.845 0.020 2 661 262 65 GLN HB3 H 2.207 0.020 2 662 262 65 GLN HG2 H 2.258 0.020 2 663 262 65 GLN HG3 H 2.318 0.020 2 664 262 65 GLN HE21 H 7.265 0.020 2 665 262 65 GLN HE22 H 6.796 0.020 2 666 262 65 GLN CA C 52.988 0.400 1 667 262 65 GLN CB C 31.119 0.400 1 668 262 65 GLN CG C 32.774 0.400 1 669 262 65 GLN N N 124.673 0.400 1 670 262 65 GLN NE2 N 112.218 0.400 1 671 263 66 LYS H H 8.424 0.020 1 672 263 66 LYS HA H 3.929 0.020 1 673 263 66 LYS HB2 H 1.861 0.020 2 674 263 66 LYS HB3 H 2.018 0.020 2 675 263 66 LYS HG2 H 1.483 0.020 1 676 263 66 LYS HG3 H 1.483 0.020 1 677 263 66 LYS HD2 H 1.719 0.020 1 678 263 66 LYS HD3 H 1.719 0.020 1 679 263 66 LYS HE2 H 3.011 0.020 2 680 263 66 LYS HE3 H 3.078 0.020 2 681 263 66 LYS CA C 57.417 0.400 1 682 263 66 LYS CB C 31.983 0.400 1 683 263 66 LYS CG C 23.709 0.400 1 684 263 66 LYS CD C 29.181 0.400 1 685 263 66 LYS CE C 42.340 0.400 1 686 263 66 LYS N N 120.147 0.400 1 687 264 67 GLU H H 9.266 0.020 1 688 264 67 GLU HA H 3.331 0.020 1 689 264 67 GLU HB2 H 2.362 0.020 2 690 264 67 GLU HB3 H 2.516 0.020 2 691 264 67 GLU HG2 H 2.211 0.020 1 692 264 67 GLU HG3 H 2.211 0.020 1 693 264 67 GLU CA C 57.780 0.400 1 694 264 67 GLU CB C 25.471 0.400 1 695 264 67 GLU CG C 36.873 0.400 1 696 264 67 GLU N N 114.881 0.400 1 697 265 68 SER H H 7.702 0.020 1 698 265 68 SER HA H 4.578 0.020 1 699 265 68 SER HB2 H 3.638 0.020 2 700 265 68 SER HB3 H 3.896 0.020 2 701 265 68 SER CA C 60.376 0.400 1 702 265 68 SER CB C 64.331 0.400 1 703 265 68 SER N N 114.919 0.400 1 704 266 69 THR H H 8.649 0.020 1 705 266 69 THR HA H 5.273 0.020 1 706 266 69 THR HB H 3.954 0.020 1 707 266 69 THR HG2 H 0.860 0.020 1 708 266 69 THR CA C 61.776 0.400 1 709 266 69 THR CB C 69.703 0.400 1 710 266 69 THR CG2 C 21.007 0.400 1 711 266 69 THR N N 117.191 0.400 1 712 267 70 LEU H H 9.342 0.020 1 713 267 70 LEU HA H 4.960 0.020 1 714 267 70 LEU HB2 H 1.533 0.020 2 715 267 70 LEU HB3 H 1.624 0.020 2 716 267 70 LEU HG H 1.727 0.020 1 717 267 70 LEU HD1 H 0.648 0.020 2 718 267 70 LEU HD2 H 0.609 0.020 2 719 267 70 LEU CA C 53.283 0.400 1 720 267 70 LEU CB C 44.056 0.400 1 721 267 70 LEU CG C 29.219 0.400 1 722 267 70 LEU CD1 C 24.322 0.400 1 723 267 70 LEU CD2 C 25.057 0.400 1 724 267 70 LEU N N 127.952 0.400 1 725 268 71 HIS H H 9.108 0.020 1 726 268 71 HIS HA H 5.457 0.020 1 727 268 71 HIS HB2 H 2.641 0.020 2 728 268 71 HIS HB3 H 2.809 0.020 2 729 268 71 HIS HD2 H 6.774 0.020 1 730 268 71 HIS HE1 H 7.519 0.020 1 731 268 71 HIS CA C 55.970 0.400 1 732 268 71 HIS CB C 32.516 0.400 1 733 268 71 HIS CD2 C 116.839 0.400 1 734 268 71 HIS CE1 C 137.414 0.400 1 735 268 71 HIS N N 118.537 0.400 1 736 269 72 LEU H H 8.437 0.020 1 737 269 72 LEU HA H 5.246 0.020 1 738 269 72 LEU HB2 H 1.055 0.020 2 739 269 72 LEU HB3 H 1.473 0.020 2 740 269 72 LEU HG H 1.275 0.020 1 741 269 72 LEU HD1 H 0.798 0.020 2 742 269 72 LEU HD2 H 0.691 0.020 2 743 269 72 LEU CA C 52.752 0.400 1 744 269 72 LEU CB C 44.255 0.400 1 745 269 72 LEU CG C 27.311 0.400 1 746 269 72 LEU CD1 C 23.208 0.400 1 747 269 72 LEU CD2 C 25.679 0.400 1 748 269 72 LEU N N 123.976 0.400 1 749 270 73 VAL H H 8.934 0.020 1 750 270 73 VAL HA H 4.329 0.020 1 751 270 73 VAL HB H 1.858 0.020 1 752 270 73 VAL HG1 H 0.967 0.020 2 753 270 73 VAL HG2 H 0.838 0.020 2 754 270 73 VAL CA C 60.067 0.400 1 755 270 73 VAL CB C 34.186 0.400 1 756 270 73 VAL CG1 C 21.208 0.400 1 757 270 73 VAL CG2 C 21.239 0.400 1 758 270 73 VAL N N 126.512 0.400 1 759 271 74 LEU HA H 4.962 0.020 1 760 271 74 LEU HB2 H 1.551 0.020 2 761 271 74 LEU HB3 H 1.729 0.020 2 762 271 74 LEU HG H 1.738 0.020 1 763 271 74 LEU HD1 H 0.934 0.020 2 764 271 74 LEU HD2 H 0.823 0.020 2 765 271 74 LEU CA C 53.845 0.400 1 766 271 74 LEU CB C 41.507 0.400 1 767 271 74 LEU CG C 27.279 0.400 1 768 271 74 LEU CD1 C 24.602 0.400 1 769 271 74 LEU CD2 C 23.226 0.400 1 770 272 75 ARG H H 8.560 0.020 1 771 272 75 ARG HA H 4.179 0.020 1 772 272 75 ARG HB2 H 1.546 0.020 2 773 272 75 ARG HB3 H 1.755 0.020 2 774 272 75 ARG HG2 H 1.476 0.020 2 775 272 75 ARG HG3 H 1.530 0.020 2 776 272 75 ARG HD2 H 3.161 0.020 1 777 272 75 ARG HD3 H 3.161 0.020 1 778 272 75 ARG CA C 55.759 0.400 1 779 272 75 ARG CB C 30.621 0.400 1 780 272 75 ARG CG C 27.555 0.400 1 781 272 75 ARG CD C 42.689 0.400 1 782 272 75 ARG N N 122.244 0.400 1 783 273 76 LEU H H 8.500 0.020 1 784 273 76 LEU HA H 4.306 0.020 1 785 273 76 LEU HB2 H 1.540 0.020 2 786 273 76 LEU HB3 H 1.606 0.020 2 787 273 76 LEU HG H 1.600 0.020 1 788 273 76 LEU HD1 H 0.826 0.020 2 789 273 76 LEU HD2 H 0.798 0.020 2 790 273 76 LEU CA C 54.410 0.400 1 791 273 76 LEU CB C 41.622 0.400 1 792 273 76 LEU CG C 26.479 0.400 1 793 273 76 LEU CD1 C 24.584 0.400 1 794 273 76 LEU CD2 C 22.940 0.400 1 795 273 76 LEU N N 123.971 0.400 1 796 274 77 ARG H H 8.408 0.020 1 797 274 77 ARG HA H 4.288 0.020 1 798 274 77 ARG HB2 H 1.749 0.020 1 799 274 77 ARG HB3 H 1.749 0.020 1 800 274 77 ARG HG2 H 1.602 0.020 1 801 274 77 ARG HG3 H 1.602 0.020 1 802 274 77 ARG HD2 H 3.170 0.020 1 803 274 77 ARG HD3 H 3.170 0.020 1 804 274 77 ARG CA C 55.747 0.400 1 805 274 77 ARG CB C 30.333 0.400 1 806 274 77 ARG CG C 26.526 0.400 1 807 274 77 ARG CD C 42.635 0.400 1 808 274 77 ARG N N 121.647 0.400 1 809 275 78 GLY H H 8.462 0.020 1 810 275 78 GLY HA2 H 3.936 0.020 1 811 275 78 GLY HA3 H 3.936 0.020 1 812 275 78 GLY CA C 44.549 0.400 1 813 275 78 GLY N N 110.794 0.400 1 814 276 79 GLY H H 7.933 0.020 1 815 276 79 GLY HA2 H 3.706 0.020 2 816 276 79 GLY HA3 H 3.762 0.020 2 817 276 79 GLY CA C 45.440 0.400 1 818 276 79 GLY N N 114.988 0.400 1 stop_ save_