data_18885 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; S. cerevisiae proteasome regulatory particle ATPase Rpt6 C-terminal domain ; _BMRB_accession_number 18885 _BMRB_flat_file_name bmr18885.str _Entry_type original _Submission_date 2012-12-07 _Accession_date 2012-12-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'S. cerevisiae proteasome regulatory particle ATPase Rpt6 C-terminal domain [318-405] 4-helix and partially unfolded conformations' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ehlinger Aaron C. . 2 Walters Kylie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 112 "13C chemical shifts" 299 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-22 update BMRB 'update entry citation' 2013-02-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Rpt6-C _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational dynamics of the rpt6 ATPase in proteasome assembly and rpn14 binding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23562395 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ehlinger Aaron . . 2 Park Soyeon . . 3 Fahmy Amr . . 4 Lary Jeffrey W. . 5 Cole James L. . 6 Finley Daniel . . 7 Walters Kylie J. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 753 _Page_last 765 _Year 2013 _Details . loop_ _Keyword Proteasome Rpn14 Rpt6 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rpt6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rpt6 4-helix bundle' $Rpt6 'Rpt6 partially unfolded' $Rpt6 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_Rpt6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpt6 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'proteasome assembly; proteasome substrate unfolding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MHHHHHHSQHMPPSVAARAE ILRIHSRKMNLTRGINLRKV AEKMNGCSGADVKGVCTEAG MYALRERRIHVTQEDFELAV GKVMNKNQETAISVAKLFK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 SER 9 GLN 10 HIS 11 MET 12 PRO 13 PRO 14 SER 15 VAL 16 ALA 17 ALA 18 ARG 19 ALA 20 GLU 21 ILE 22 LEU 23 ARG 24 ILE 25 HIS 26 SER 27 ARG 28 LYS 29 MET 30 ASN 31 LEU 32 THR 33 ARG 34 GLY 35 ILE 36 ASN 37 LEU 38 ARG 39 LYS 40 VAL 41 ALA 42 GLU 43 LYS 44 MET 45 ASN 46 GLY 47 CYS 48 SER 49 GLY 50 ALA 51 ASP 52 VAL 53 LYS 54 GLY 55 VAL 56 CYS 57 THR 58 GLU 59 ALA 60 GLY 61 MET 62 TYR 63 ALA 64 LEU 65 ARG 66 GLU 67 ARG 68 ARG 69 ILE 70 HIS 71 VAL 72 THR 73 GLN 74 GLU 75 ASP 76 PHE 77 GLU 78 LEU 79 ALA 80 VAL 81 GLY 82 LYS 83 VAL 84 MET 85 ASN 86 LYS 87 ASN 88 GLN 89 GLU 90 THR 91 ALA 92 ILE 93 SER 94 VAL 95 ALA 96 LYS 97 LEU 98 PHE 99 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 4CR2 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 88.89 405 100.00 100.00 1.47e-53 PDB 4CR3 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 88.89 405 100.00 100.00 1.47e-53 PDB 4CR4 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 88.89 405 100.00 100.00 1.47e-53 PDB 5A5B "Structure Of The 26s Proteasome-ubp6 Complex" 88.89 405 100.00 100.00 1.47e-53 DBJ GAA23341 "K7_Rpt6p [Saccharomyces cerevisiae Kyokai no. 7]" 88.89 405 100.00 100.00 1.47e-53 EMBL CAA47023 "sug1 [Saccharomyces cerevisiae]" 88.89 405 100.00 100.00 1.44e-53 EMBL CAA96750 "SUG1 [Saccharomyces cerevisiae]" 88.89 405 100.00 100.00 1.47e-53 EMBL CAY79712 "Rpt6p [Saccharomyces cerevisiae EC1118]" 88.89 405 100.00 100.00 1.47e-53 EMBL CCD24599 "hypothetical protein NDAI_0D02850 [Naumovozyma dairenensis CBS 421]" 88.89 405 98.86 100.00 2.50e-53 GB AAA35138 "Tat-binding protein [Saccharomyces cerevisiae]" 88.89 405 100.00 100.00 1.47e-53 GB AAB35417 "26S protease subunit S8=SUG1 homolog [human, erythrocytes, Peptide, 405 aa]" 88.89 405 100.00 100.00 1.44e-53 GB AAT93154 "YGL048C [Saccharomyces cerevisiae]" 88.89 405 100.00 100.00 1.47e-53 GB AHY79325 "Rpt6p [Saccharomyces cerevisiae YJM993]" 88.89 405 100.00 100.00 1.47e-53 GB AJP38743 "Rpt6p [Saccharomyces cerevisiae YJM1078]" 88.89 405 100.00 100.00 1.44e-53 PRF 1813279A "SUG1 gene" 83.84 400 100.00 100.00 6.41e-50 REF NP_011467 "proteasome regulatory particle base subunit RPT6 [Saccharomyces cerevisiae S288c]" 88.89 405 100.00 100.00 1.47e-53 REF XP_003669842 "hypothetical protein NDAI_0D02850 [Naumovozyma dairenensis CBS 421]" 88.89 405 98.86 100.00 2.50e-53 SP Q01939 "RecName: Full=26S protease regulatory subunit 8 homolog; AltName: Full=Protein CIM3; AltName: Full=Protein SUG1; AltName: Full=" 88.89 405 100.00 100.00 1.47e-53 TPG DAA08053 "TPA: proteasome regulatory particle base subunit RPT6 [Saccharomyces cerevisiae S288c]" 88.89 405 100.00 100.00 1.47e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rpt6 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Rpt6 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pRSF-duet1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rpt6 0.3 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' beta-mercaptoethanol 14 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_2D_ZZ-Exchange_Spectroscopy_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ZZ-Exchange Spectroscopy' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 273 . 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_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' '3D HNCACO' '2D ZZ-Exchange Spectroscopy' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Rpt6 4-helix bundle' _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 1 322 16 ALA H H 8.203 . 1 2 322 16 ALA C C 180.6 . 1 3 322 16 ALA CA C 54.9 . 1 4 322 16 ALA N N 121.9 . 1 5 323 17 ALA H H 7.946 . 1 6 323 17 ALA C C 180.9 . 1 7 323 17 ALA CA C 54.6 . 1 8 323 17 ALA N N 120.98 . 1 9 324 18 ARG H H 8.295 . 1 10 324 18 ARG C C 177.8 . 1 11 324 18 ARG CA C 60 . 1 12 324 18 ARG N N 118.12 . 1 13 325 19 ALA H H 8.565 . 1 14 325 19 ALA C C 179.3 . 1 15 325 19 ALA CA C 55.3 . 1 16 325 19 ALA CB C 17.2 . 1 17 325 19 ALA N N 120.94 . 1 18 326 20 GLU H H 7.707 . 1 19 326 20 GLU C C 178.1 . 1 20 326 20 GLU CA C 58.4 . 1 21 326 20 GLU CB C 29.1 . 1 22 326 20 GLU N N 119.06 . 1 23 327 21 ILE H H 7.772 . 1 24 327 21 ILE C C 178.5 . 1 25 327 21 ILE CA C 65.1 . 1 26 327 21 ILE CB C 38.1 . 1 27 327 21 ILE N N 120 . 1 28 328 22 LEU H H 8.153 . 1 29 328 22 LEU C C 177.9 . 1 30 328 22 LEU CA C 58 . 1 31 328 22 LEU CB C 42.6 . 1 32 328 22 LEU N N 119.53 . 1 33 329 23 ARG H H 8.125 . 1 34 329 23 ARG C C 178.8 . 1 35 329 23 ARG CA C 59.6 . 1 36 329 23 ARG N N 121.22 . 1 37 330 24 ILE H H 8.163 . 1 38 330 24 ILE C C 179.6 . 1 39 330 24 ILE CA C 65 . 1 40 330 24 ILE N N 119.47 . 1 41 331 25 HIS H H 8.17 . 1 42 331 25 HIS C C 176.7 . 1 43 331 25 HIS CA C 59.2 . 1 44 331 25 HIS CB C 30.4 . 1 45 331 25 HIS N N 116.25 . 1 46 332 26 SER H H 8.08 . 1 47 332 26 SER C C 176.2 . 1 48 332 26 SER CA C 59.1 . 1 49 332 26 SER CB C 64.9 . 1 50 332 26 SER N N 113.44 . 1 51 333 27 ARG H H 7.211 . 1 52 333 27 ARG C C 177.2 . 1 53 333 27 ARG CA C 59 . 1 54 333 27 ARG CB C 30.2 . 1 55 333 27 ARG N N 121.87 . 1 56 334 28 LYS H H 8.214 . 1 57 334 28 LYS C C 176.9 . 1 58 334 28 LYS CA C 55.6 . 1 59 334 28 LYS CB C 31.9 . 1 60 334 28 LYS N N 115.78 . 1 61 335 29 MET C C 174.7 . 1 62 335 29 MET CA C 55.2 . 1 63 336 30 ASN H H 8.93 . 1 64 336 30 ASN C C 173.9 . 1 65 336 30 ASN CA C 52 . 1 66 336 30 ASN CB C 37.9 . 1 67 336 30 ASN N N 120.47 . 1 68 337 31 LEU H H 8.366 . 1 69 337 31 LEU C C 178 . 1 70 337 31 LEU CA C 54.4 . 1 71 337 31 LEU CB C 42.6 . 1 72 337 31 LEU N N 123.28 . 1 73 338 32 THR H H 8.251 . 1 74 338 32 THR C C 174.4 . 1 75 338 32 THR CA C 63 . 1 76 338 32 THR CB C 70 . 1 77 338 32 THR N N 116.72 . 1 78 339 33 ARG H H 8.434 . 1 79 339 33 ARG C C 175 . 1 80 339 33 ARG CA C 57.6 . 1 81 339 33 ARG CB C 29.8 . 1 82 339 33 ARG N N 124.68 . 1 83 340 34 GLY H H 8.794 . 1 84 340 34 GLY C C 174.9 . 1 85 340 34 GLY CA C 44.25 . 1 86 340 34 GLY N N 111.09 . 1 87 341 35 ILE H H 7.311 . 1 88 341 35 ILE C C 174.2 . 1 89 341 35 ILE CA C 61.5 . 1 90 341 35 ILE CB C 38.1 . 1 91 341 35 ILE N N 121.4 . 1 92 342 36 ASN H H 9.186 . 1 93 342 36 ASN C C 175.9 . 1 94 342 36 ASN CA C 51 . 1 95 342 36 ASN CB C 38.4 . 1 96 342 36 ASN N N 126.56 . 1 97 343 37 LEU H H 8.728 . 1 98 343 37 LEU C C 179.2 . 1 99 343 37 LEU CA C 56.5 . 1 100 343 37 LEU CB C 41 . 1 101 343 37 LEU N N 123.28 . 1 102 344 38 ARG H H 8.172 . 1 103 344 38 ARG C C 177.9 . 1 104 344 38 ARG CA C 59.5 . 1 105 344 38 ARG CB C 32.7 . 1 106 344 38 ARG N N 121.4 . 1 107 345 39 LYS H H 7.304 . 1 108 345 39 LYS C C 179.2 . 1 109 345 39 LYS CA C 58.3 . 1 110 345 39 LYS CB C 32.3 . 1 111 345 39 LYS N N 117.66 . 1 112 346 40 VAL H H 6.822 . 1 113 346 40 VAL C C 177.1 . 1 114 346 40 VAL CA C 66.2 . 1 115 346 40 VAL CB C 31 . 1 116 346 40 VAL N N 117.66 . 1 117 347 41 ALA H H 8.06 . 1 118 347 41 ALA C C 181.3 . 1 119 347 41 ALA CA C 55.1 . 1 120 347 41 ALA N N 119.86 . 1 121 348 42 GLU H H 8.388 . 1 122 348 42 GLU C C 177.4 . 1 123 348 42 GLU CA C 58.9 . 1 124 348 42 GLU CB C 29.9 . 1 125 348 42 GLU N N 119.06 . 1 126 349 43 LYS H H 7.392 . 1 127 349 43 LYS C C 176.9 . 1 128 349 43 LYS CA C 56.8 . 1 129 349 43 LYS CB C 32.8 . 1 130 349 43 LYS N N 116.77 . 1 131 350 44 MET H H 7.103 . 1 132 350 44 MET C C 176.7 . 1 133 350 44 MET CA C 55.5 . 1 134 350 44 MET CB C 30.4 . 1 135 350 44 MET N N 116.25 . 1 136 351 45 ASN H H 7.666 . 1 137 351 45 ASN C C 178.7 . 1 138 351 45 ASN CA C 55.3 . 1 139 351 45 ASN CB C 40.4 . 1 140 351 45 ASN N N 118.12 . 1 141 352 46 GLY H H 8.433 . 1 142 352 46 GLY C C 174.5 . 1 143 352 46 GLY CA C 45.4 . 1 144 352 46 GLY N N 112.03 . 1 145 353 47 CYS H H 7.687 . 1 146 353 47 CYS C C 174.2 . 1 147 353 47 CYS CA C 59.2 . 1 148 353 47 CYS CB C 29.4 . 1 149 353 47 CYS N N 117.19 . 1 150 354 48 SER H H 9.342 . 1 151 354 48 SER C C 176.7 . 1 152 354 48 SER CA C 56.8 . 1 153 354 48 SER CB C 65.8 . 1 154 354 48 SER N N 118.12 . 1 155 355 49 GLY H H 9.144 . 1 156 355 49 GLY C C 176.5 . 1 157 355 49 GLY CA C 47.6 . 1 158 355 49 GLY N N 108.75 . 1 159 356 50 ALA H H 8.271 . 1 160 356 50 ALA C C 180.5 . 1 161 356 50 ALA CA C 54.6 . 1 162 356 50 ALA CB C 19.3 . 1 163 356 50 ALA N N 123.85 . 1 164 357 51 ASP H H 7.868 . 1 165 357 51 ASP C C 177.8 . 1 166 357 51 ASP CA C 56.7 . 1 167 357 51 ASP CB C 40.9 . 1 168 357 51 ASP N N 120 . 1 169 358 52 VAL H H 7.748 . 1 170 358 52 VAL C C 179.3 . 1 171 358 52 VAL CA C 66.7 . 1 172 358 52 VAL CB C 31.3 . 1 173 358 52 VAL N N 119.06 . 1 174 359 53 LYS H H 7.735 . 1 175 359 53 LYS C C 179.2 . 1 176 359 53 LYS CA C 60.1 . 1 177 359 53 LYS CB C 32.1 . 1 178 359 53 LYS N N 119.06 . 1 179 360 54 GLY H H 8.168 . 1 180 360 54 GLY C C 176.4 . 1 181 360 54 GLY CA C 46.9 . 1 182 360 54 GLY N N 106.88 . 1 183 361 55 VAL H H 8.222 . 1 184 361 55 VAL C C 177.22 . 1 185 361 55 VAL CA C 66.7 . 1 186 361 55 VAL N N 122.51 . 1 187 362 56 CYS H H 7.577 . 1 188 362 56 CYS C C 176.7 . 1 189 362 56 CYS CA C 64.2 . 1 190 362 56 CYS CB C 27.1 . 1 191 362 56 CYS N N 117.23 . 1 192 363 57 THR H H 8.043 . 1 193 363 57 THR C C 177.3 . 1 194 363 57 THR CA C 65.9 . 1 195 363 57 THR CB C 68.8 . 1 196 363 57 THR N N 115.46 . 1 197 364 58 GLU H H 8.376 . 1 198 364 58 GLU C C 177.4 . 1 199 364 58 GLU CA C 58.4 . 1 200 364 58 GLU N N 121.65 . 1 201 365 59 ALA H H 8.423 . 1 202 365 59 ALA C C 179.3 . 1 203 365 59 ALA CA C 55.2 . 1 204 365 59 ALA CB C 18.9 . 1 205 365 59 ALA N N 122.34 . 1 206 366 60 GLY H H 7.426 . 1 207 366 60 GLY C C 176.7 . 1 208 366 60 GLY CA C 46.6 . 1 209 366 60 GLY N N 99.96 . 1 210 367 61 MET H H 7.661 . 1 211 367 61 MET C C 178.9 . 1 212 367 61 MET CA C 57.5 . 1 213 367 61 MET CB C 31.2 . 1 214 367 61 MET N N 121.4 . 1 215 368 62 TYR H H 8.045 . 1 216 368 62 TYR C C 178.4 . 1 217 368 62 TYR CA C 61.9 . 1 218 368 62 TYR CB C 39.5 . 1 219 368 62 TYR N N 120.94 . 1 220 369 63 ALA H H 7.256 . 1 221 369 63 ALA C C 179.8 . 1 222 369 63 ALA CA C 55.5 . 1 223 369 63 ALA CB C 18.5 . 1 224 369 63 ALA N N 120.47 . 1 225 370 64 LEU H H 7.713 . 1 226 370 64 LEU C C 182 . 1 227 370 64 LEU CA C 57.9 . 1 228 370 64 LEU CB C 42.3 . 1 229 370 64 LEU N N 117.66 . 1 230 371 65 ARG H H 8.414 . 1 231 371 65 ARG C C 178.1 . 1 232 371 65 ARG CA C 59.2 . 1 233 371 65 ARG CB C 30.2 . 1 234 371 65 ARG N N 120.74 . 1 235 372 66 GLU H H 7.358 . 1 236 372 66 GLU C C 174.6 . 1 237 372 66 GLU CA C 55.6 . 1 238 372 66 GLU CB C 29.9 . 1 239 372 66 GLU N N 116.72 . 1 240 373 67 ARG H H 8.109 . 1 241 373 67 ARG C C 175.3 . 1 242 373 67 ARG CA C 56.7 . 1 243 373 67 ARG CB C 26.5 . 1 244 373 67 ARG N N 115.31 . 1 245 374 68 ARG H H 8.18 . 1 246 374 68 ARG C C 176.3 . 1 247 374 68 ARG CA C 55.3 . 1 248 374 68 ARG CB C 33.7 . 1 249 374 68 ARG N N 117.66 . 1 250 375 69 ILE H H 8.242 . 1 251 375 69 ILE C C 176 . 1 252 375 69 ILE CA C 61.8 . 1 253 375 69 ILE CB C 38.7 . 1 254 375 69 ILE N N 117.19 . 1 255 376 70 HIS H H 7.492 . 1 256 376 70 HIS C C 176.1 . 1 257 376 70 HIS CA C 55.4 . 1 258 376 70 HIS CB C 32 . 1 259 376 70 HIS N N 117.19 . 1 260 377 71 VAL H H 8.567 . 1 261 377 71 VAL C C 176.8 . 1 262 377 71 VAL CA C 61.5 . 1 263 377 71 VAL CB C 33 . 1 264 377 71 VAL N N 123.28 . 1 265 378 72 THR H H 9.783 . 1 266 378 72 THR C C 175.9 . 1 267 378 72 THR CA C 60.2 . 1 268 378 72 THR CB C 72.7 . 1 269 378 72 THR N N 119.06 . 1 270 379 73 GLN H H 9.186 . 1 271 379 73 GLN C C 178.4 . 1 272 379 73 GLN CA C 59.3 . 1 273 379 73 GLN N N 120.47 . 1 274 380 74 GLU H H 8.485 . 1 275 380 74 GLU C C 178.2 . 1 276 380 74 GLU CA C 60.2 . 1 277 380 74 GLU CB C 28.8 . 1 278 380 74 GLU N N 117.66 . 1 279 381 75 ASP H H 7.738 . 1 280 381 75 ASP C C 179 . 1 281 381 75 ASP CA C 58 . 1 282 381 75 ASP CB C 40.2 . 1 283 381 75 ASP N N 120.94 . 1 284 382 76 PHE H H 7.461 . 1 285 382 76 PHE C C 178.1 . 1 286 382 76 PHE CA C 62.9 . 1 287 382 76 PHE CB C 38.7 . 1 288 382 76 PHE N N 115.31 . 1 289 383 77 GLU H H 8.457 . 1 290 383 77 GLU C C 180.4 . 1 291 383 77 GLU CA C 60.3 . 1 292 383 77 GLU CB C 29.2 . 1 293 383 77 GLU N N 118.59 . 1 294 384 78 LEU H H 8.594 . 1 295 384 78 LEU C C 179.8 . 1 296 384 78 LEU CA C 57.4 . 1 297 384 78 LEU CB C 41.2 . 1 298 384 78 LEU N N 121.87 . 1 299 385 79 ALA H H 7.878 . 1 300 385 79 ALA C C 179.5 . 1 301 385 79 ALA CA C 55.4 . 1 302 385 79 ALA CB C 20.5 . 1 303 385 79 ALA N N 122.44 . 1 304 386 80 VAL H H 8.576 . 1 305 386 80 VAL C C 177.8 . 1 306 386 80 VAL CA C 66.8 . 1 307 386 80 VAL CB C 31.9 . 1 308 386 80 VAL N N 118.12 . 1 309 387 81 GLY H H 7.578 . 1 310 387 81 GLY C C 175.6 . 1 311 387 81 GLY CA C 46.9 . 1 312 387 81 GLY N N 105 . 1 313 388 82 LYS H H 7.719 . 1 314 388 82 LYS C C 179.1 . 1 315 388 82 LYS CA C 58.6 . 1 316 388 82 LYS CB C 33 . 1 317 388 82 LYS N N 120.47 . 1 318 389 83 VAL H H 8.153 . 1 319 389 83 VAL C C 177.9 . 1 320 389 83 VAL CA C 65.1 . 1 321 389 83 VAL CB C 32.7 . 1 322 389 83 VAL N N 118.16 . 1 323 390 84 MET H H 8.346 . 1 324 390 84 MET C C 177.3 . 1 325 390 84 MET CA C 56.3 . 1 326 390 84 MET CB C 31.3 . 1 327 390 84 MET N N 116.06 . 1 328 391 85 ASN H H 7.771 . 1 329 391 85 ASN C C 175.6 . 1 330 391 85 ASN CA C 53.9 . 1 331 391 85 ASN CB C 38.4 . 1 332 391 85 ASN N N 117.66 . 1 333 392 86 LYS H H 7.991 . 1 334 392 86 LYS C C 176.9 . 1 335 392 86 LYS CA C 56.8 . 1 336 392 86 LYS CB C 32.6 . 1 337 392 86 LYS N N 120.39 . 1 338 393 87 ASN H H 8.359 . 1 339 393 87 ASN C C 175.6 . 1 340 393 87 ASN CA C 53.6 . 1 341 393 87 ASN CB C 38.6 . 1 342 393 87 ASN N N 118.59 . 1 343 394 88 GLN H H 8.241 . 1 344 394 88 GLN C C 176.2 . 1 345 394 88 GLN CA C 56.1 . 1 346 394 88 GLN CB C 29.3 . 1 347 394 88 GLN N N 120 . 1 348 395 89 GLU H H 8.411 . 1 349 395 89 GLU C C 176.8 . 1 350 395 89 GLU CA C 56.9 . 1 351 395 89 GLU CB C 29.9 . 1 352 395 89 GLU N N 121.4 . 1 353 396 90 THR H H 8.156 . 1 354 396 90 THR C C 174.2 . 1 355 396 90 THR CA C 62.1 . 1 356 396 90 THR CB C 69.7 . 1 357 396 90 THR N N 114.84 . 1 358 397 91 ALA H H 8.234 . 1 359 397 91 ALA C C 177.6 . 1 360 397 91 ALA CA C 52.6 . 1 361 397 91 ALA CB C 19.1 . 1 362 397 91 ALA N N 126.12 . 1 363 398 92 ILE H H 8.051 . 1 364 398 92 ILE C C 176.3 . 1 365 398 92 ILE CA C 61.1 . 1 366 398 92 ILE CB C 38.7 . 1 367 398 92 ILE N N 119.43 . 1 368 399 93 SER H H 8.251 . 1 369 399 93 SER C C 174.3 . 1 370 399 93 SER CA C 58.3 . 1 371 399 93 SER CB C 63.8 . 1 372 399 93 SER N N 119.06 . 1 373 400 94 VAL H H 8.111 . 1 374 400 94 VAL C C 176 . 1 375 400 94 VAL CA C 62.3 . 1 376 400 94 VAL CB C 32.4 . 1 377 400 94 VAL N N 121.65 . 1 378 401 95 ALA H H 8.171 . 1 379 401 95 ALA C C 177.7 . 1 380 401 95 ALA CA C 52.7 . 1 381 401 95 ALA CB C 19 . 1 382 401 95 ALA N N 126.32 . 1 383 402 96 LYS H H 8.089 . 1 384 402 96 LYS C C 176.1 . 1 385 402 96 LYS CA C 56.1 . 1 386 402 96 LYS CB C 32.9 . 1 387 402 96 LYS N N 119.8 . 1 388 403 97 LEU H H 8.013 . 1 389 403 97 LEU C C 176.7 . 1 390 403 97 LEU CA C 54.9 . 1 391 403 97 LEU CB C 42.6 . 1 392 403 97 LEU N N 122.34 . 1 393 404 98 PHE H H 8.097 . 1 394 404 98 PHE C C 174.5 . 1 395 404 98 PHE CA C 57.3 . 1 396 404 98 PHE CB C 39.6 . 1 397 404 98 PHE N N 120.35 . 1 398 405 99 LYS H H 7.76 . 1 399 405 99 LYS C C 180.9 . 1 400 405 99 LYS CA C 57.5 . 1 401 405 99 LYS CB C 33.8 . 1 402 405 99 LYS N N 127.07 . 1 stop_ save_ save_assigned_chem_shift_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' '3D HNCACO' '2D ZZ-Exchange Spectroscopy' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Rpt6 partially unfolded' _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 1 336 30 ASN H H 8.445 . 1 2 336 30 ASN CA C 53.4 . 1 3 336 30 ASN N N 119.57 . 1 4 339 33 ARG H H 8.331 . 1 5 339 33 ARG CA C 58.4 . 1 6 339 33 ARG CB C 31.9 . 1 7 339 33 ARG N N 115.26 . 1 8 340 34 GLY H H 8.483 . 1 9 340 34 GLY C C 174.1 . 1 10 340 34 GLY CA C 45.2 . 1 11 340 34 GLY N N 111.09 . 1 12 341 35 ILE H H 7.951 . 1 13 341 35 ILE CA C 61.2 . 1 14 341 35 ILE N N 119.45 . 1 15 346 40 VAL H H 8.063 . 1 16 346 40 VAL CA C 62.2 . 1 17 346 40 VAL N N 120.98 . 1 18 349 43 LYS H H 8.216 . 1 19 349 43 LYS CA C 56.2 . 1 20 349 43 LYS N N 121.36 . 1 21 354 48 SER CA C 56.1 . 1 22 355 49 GLY H H 8.391 . 1 23 355 49 GLY C C 173.9 . 1 24 355 49 GLY CA C 45.2 . 1 25 355 49 GLY N N 109.4 . 1 26 356 50 ALA H H 8.139 . 1 27 356 50 ALA C C 177.4 . 1 28 356 50 ALA CA C 52.4 . 1 29 356 50 ALA CB C 24.6 . 1 30 356 50 ALA N N 123.28 . 1 31 357 51 ASP H H 8.322 . 1 32 357 51 ASP C C 176.3 . 1 33 357 51 ASP CA C 54.1 . 1 34 357 51 ASP CB C 41 . 1 35 357 51 ASP N N 119.06 . 1 36 358 52 VAL H H 7.964 . 1 37 358 52 VAL C C 176.2 . 1 38 358 52 VAL CA C 62.3 . 1 39 358 52 VAL CB C 32.6 . 1 40 358 52 VAL N N 120 . 1 41 359 53 LYS H H 8.346 . 1 42 359 53 LYS C C 177.1 . 1 43 359 53 LYS CA C 56.2 . 1 44 359 53 LYS CB C 32.9 . 1 45 359 53 LYS N N 124.07 . 1 46 360 54 GLY H H 8.322 . 1 47 360 54 GLY C C 173.9 . 1 48 360 54 GLY CA C 45.1 . 1 49 360 54 GLY N N 109.47 . 1 50 361 55 VAL H H 8.006 . 1 51 361 55 VAL C C 176.1 . 1 52 361 55 VAL CA C 62.1 . 1 53 361 55 VAL CB C 32.8 . 1 54 361 55 VAL N N 119.06 . 1 55 362 56 CYS H H 8.538 . 1 56 362 56 CYS C C 175 . 1 57 362 56 CYS CA C 58.4 . 1 58 362 56 CYS CB C 28.1 . 1 59 362 56 CYS N N 123.17 . 1 60 363 57 THR H H 8.321 . 1 61 363 57 THR C C 174.7 . 1 62 363 57 THR CA C 61.8 . 1 63 363 57 THR CB C 70.3 . 1 64 363 57 THR N N 116.73 . 1 65 364 58 GLU H H 8.456 . 1 66 364 58 GLU C C 176.6 . 1 67 364 58 GLU CA C 56.9 . 1 68 364 58 GLU CB C 30.1 . 1 69 364 58 GLU N N 122.81 . 1 70 365 59 ALA H H 8.321 . 1 71 365 59 ALA C C 178.6 . 1 72 365 59 ALA CA C 53.1 . 1 73 365 59 ALA CB C 19.1 . 1 74 365 59 ALA N N 124.04 . 1 75 366 60 GLY H H 8.321 . 1 76 366 60 GLY C C 174.7 . 1 77 366 60 GLY CA C 45.1 . 1 78 366 60 GLY N N 107.27 . 1 79 369 63 ALA H H 8.004 . 1 80 369 63 ALA C C 176.1 . 1 81 369 63 ALA CA C 52.7 . 1 82 369 63 ALA N N 123.44 . 1 83 376 70 HIS H H 8.071 . 1 84 376 70 HIS CA C 55.7 . 1 85 376 70 HIS N N 123.15 . 1 86 378 72 THR H H 8.315 . 1 87 378 72 THR C C 174.5 . 1 88 378 72 THR CA C 61.7 . 1 89 378 72 THR N N 117.12 . 1 90 379 73 GLN H H 8.494 . 1 91 379 73 GLN CA C 55.9 . 1 92 379 73 GLN N N 122.08 . 1 93 384 78 LEU H H 7.993 . 1 94 384 78 LEU C C 177.4 . 1 95 384 78 LEU CA C 55.4 . 1 96 384 78 LEU CB C 42.4 . 1 97 384 78 LEU N N 121.72 . 1 98 385 79 ALA H H 8.056 . 1 99 385 79 ALA C C 178 . 1 100 385 79 ALA CA C 52.6 . 1 101 385 79 ALA CB C 19 . 1 102 385 79 ALA N N 123.75 . 1 103 386 80 VAL H H 7.926 . 1 104 386 80 VAL C C 176.9 . 1 105 386 80 VAL CA C 62.7 . 1 106 386 80 VAL CB C 32.6 . 1 107 386 80 VAL N N 117.87 . 1 108 387 81 GLY H H 8.293 . 1 109 387 81 GLY C C 174.1 . 1 110 387 81 GLY CA C 45.3 . 1 111 387 81 GLY N N 111.09 . 1 112 388 82 LYS H H 8.001 . 1 113 388 82 LYS C C 176.8 . 1 114 388 82 LYS CA C 56.2 . 1 115 388 82 LYS N N 120.42 . 1 116 389 83 VAL H H 8.063 . 1 117 389 83 VAL CA C 63.4 . 1 118 389 83 VAL N N 121.69 . 1 119 390 84 MET H H 8.335 . 1 120 390 84 MET CA C 56.4 . 1 121 390 84 MET N N 116.25 . 1 stop_ save_