data_15910 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the Bacillus subtilis ClpC N-domain ; _BMRB_accession_number 15910 _BMRB_flat_file_name bmr15910.str _Entry_type original _Submission_date 2008-08-04 _Accession_date 2008-08-04 _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 Kojetin Douglas J. . 2 McLaughlin Patrick D. . 3 Thompson Richele J. . 4 Rance Mark . . 5 Cavanagh John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 S2_parameters 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 236 "T2 relaxation values" 236 "residual dipolar couplings" 78 "order parameters" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-05-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and motional contributions of the Bacillus subtilis ClpC N-domain to adaptor protein interactions' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19361434 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kojetin Douglas J. . 2 McLaughlin Patrick D. . 3 Thompson Richele J. . 4 Dubnau David . . 5 Prepiak Peter . . 6 Rance Mark . . 7 Cavanagh John . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 387 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 639 _Page_last 652 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N-ClpCR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N-ClpCR $N-ClpCR 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_N-ClpCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-ClpCR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; HMMFGRFTERAQKVLALAQE EALRLGHNNIGTEHILLGLV REGEGIAAKALQALGLGSEK IQKEVESLIGRGQEMSQTIH YTPRAKKVIELSMDEARKLG HSYVGTEHILLGLIREGEGV AARVLNNLGVSLNKARQQVL QLLGSN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 HIS 2 1 MET 3 2 MET 4 3 PHE 5 4 GLY 6 5 ARG 7 6 PHE 8 7 THR 9 8 GLU 10 9 ARG 11 10 ALA 12 11 GLN 13 12 LYS 14 13 VAL 15 14 LEU 16 15 ALA 17 16 LEU 18 17 ALA 19 18 GLN 20 19 GLU 21 20 GLU 22 21 ALA 23 22 LEU 24 23 ARG 25 24 LEU 26 25 GLY 27 26 HIS 28 27 ASN 29 28 ASN 30 29 ILE 31 30 GLY 32 31 THR 33 32 GLU 34 33 HIS 35 34 ILE 36 35 LEU 37 36 LEU 38 37 GLY 39 38 LEU 40 39 VAL 41 40 ARG 42 41 GLU 43 42 GLY 44 43 GLU 45 44 GLY 46 45 ILE 47 46 ALA 48 47 ALA 49 48 LYS 50 49 ALA 51 50 LEU 52 51 GLN 53 52 ALA 54 53 LEU 55 54 GLY 56 55 LEU 57 56 GLY 58 57 SER 59 58 GLU 60 59 LYS 61 60 ILE 62 61 GLN 63 62 LYS 64 63 GLU 65 64 VAL 66 65 GLU 67 66 SER 68 67 LEU 69 68 ILE 70 69 GLY 71 70 ARG 72 71 GLY 73 72 GLN 74 73 GLU 75 74 MET 76 75 SER 77 76 GLN 78 77 THR 79 78 ILE 80 79 HIS 81 80 TYR 82 81 THR 83 82 PRO 84 83 ARG 85 84 ALA 86 85 LYS 87 86 LYS 88 87 VAL 89 88 ILE 90 89 GLU 91 90 LEU 92 91 SER 93 92 MET 94 93 ASP 95 94 GLU 96 95 ALA 97 96 ARG 98 97 LYS 99 98 LEU 100 99 GLY 101 100 HIS 102 101 SER 103 102 TYR 104 103 VAL 105 104 GLY 106 105 THR 107 106 GLU 108 107 HIS 109 108 ILE 110 109 LEU 111 110 LEU 112 111 GLY 113 112 LEU 114 113 ILE 115 114 ARG 116 115 GLU 117 116 GLY 118 117 GLU 119 118 GLY 120 119 VAL 121 120 ALA 122 121 ALA 123 122 ARG 124 123 VAL 125 124 LEU 126 125 ASN 127 126 ASN 128 127 LEU 129 128 GLY 130 129 VAL 131 130 SER 132 131 LEU 133 132 ASN 134 133 LYS 135 134 ALA 136 135 ARG 137 136 GLN 138 137 GLN 139 138 VAL 140 139 LEU 141 140 GLN 142 141 LEU 143 142 LEU 144 143 GLY 145 144 SER 146 145 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15383 NClpCR 100.00 146 100.00 100.00 1.77e-95 PDB 2K77 "Nmr Solution Structure Of The Bacillus Subtilis Clpc N- Domain" 100.00 146 100.00 100.00 1.77e-95 PDB 2Y1Q "Crystal Structure Of Clpc N-Terminal Domain" 99.32 150 98.62 99.31 2.55e-93 PDB 2Y1R "Structure Of Meca121 & Clpc N-Domain Complex" 99.32 149 100.00 100.00 2.09e-94 PDB 3PXG "Structure Of Meca121 And Clpc1-485 Complex" 99.32 468 100.00 100.00 5.15e-93 GB ALC83305 "Clp protease ClpX [Bacillus gobiensis]" 99.32 810 98.62 99.31 1.21e-87 REF WP_053605144 "ATP-dependent Clp protease ATP-binding subunit ClpC [Bacillus gobiensis]" 99.32 810 98.62 99.31 1.21e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $N-ClpCR 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $N-ClpCR 'recombinant technology' . Escherichia coli BL21(DE3) pET-16b 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 $N-ClpCR 0.5-1.0 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $N-ClpCR . mM 0.5 1.0 [U-15N] H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_relax _Saveframe_category software _Name Relax _Version 1.2 loop_ _Vendor _Address _Electronic_address 'd'Auvergne and Gooley' . . stop_ loop_ _Task 'model-free analysis of relaxation data' stop_ _Details ; d'Auvergne et al. Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces. J. Biomol. NMR (2008) vol. 40 (2) pp. 107-19; http://www.nmr-relax.com/ ; save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 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 'cryogenically cooled triple resonance probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'conventional triple resonance probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details 'cryogenically cooled triple resonance probe' save_ ############################# # NMR applied experiments # ############################# save_2D_[1H,1H]-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H,1H]-NOESY' _Sample_label $sample_2 save_ save_3D_[1H,15N,1H]-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,15N,1H]-NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_[1H,13C,1H]-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,13C,1H]-NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_[1H,13C]-NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H,13C]-NOESY-HSQC' _Sample_label $sample_1 save_ save_4D_[1H,13C]-HMQC-NOESY-[1H,13C]-HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D [1H,13C]-HMQC-NOESY-[1H,13C]-HMQC' _Sample_label $sample_1 save_ save_4D_[1H,13C]-HMQC-NOESY-[1H,15N]-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D [1H,13C]-HMQC-NOESY-[1H,15N]-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 50 . mM pH 5.5 . pH pressure 1 . atm temperature 305.15 . K stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 $sample_2 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 7 PHE N 7 PHE H -6.6214 ? ? . . 1.0000 DNH 8 THR N 8 THR H 8.7236 ? ? . . 1.0000 DNH 12 GLN N 12 GLN H -0.9773 ? ? . . 1.0000 DNH 14 VAL N 14 VAL H -12.5034 ? ? . . 1.0000 DNH 15 LEU N 15 LEU H -3.1190 ? ? . . 1.0000 DNH 16 ALA N 16 ALA H -6.1951 ? ? . . 1.0000 DNH 17 LEU N 17 LEU H -11.8604 ? ? . . 1.0000 DNH 18 ALA N 18 ALA H -6.4241 ? ? . . 1.0000 DNH 19 GLN N 19 GLN H 0.1238 ? ? . . 1.0000 DNH 20 GLU N 20 GLU H -9.1948 ? ? . . 1.0000 DNH 21 GLU N 21 GLU H -8.2821 ? ? . . 1.0000 DNH 22 ALA N 22 ALA H -2.2839 ? ? . . 1.0000 DNH 23 LEU N 23 LEU H -2.8856 ? ? . . 1.0000 DNH 24 ARG N 24 ARG H -15.7262 ? ? . . 1.0000 DNH 27 HIS N 27 HIS H 0.9197 ? ? . . 1.0000 DNH 28 ASN N 28 ASN H 3.1124 ? ? . . 1.0000 DNH 31 GLY N 31 GLY H 1.8514 ? ? . . 1.0000 DNH 33 GLU N 33 GLU H 0.3914 ? ? . . 1.0000 DNH 34 HIS N 34 HIS H 2.3270 ? ? . . 1.0000 DNH 37 LEU N 37 LEU H 0.6596 ? ? . . 1.0000 DNH 38 GLY N 38 GLY H 5.7136 ? ? . . 1.0000 DNH 39 LEU N 39 LEU H 11.8925 ? ? . . 1.0000 DNH 42 GLU N 42 GLU H 13.4949 ? ? . . 1.0000 DNH 45 GLY N 45 GLY H -9.3127 ? ? . . 1.0000 DNH 46 ILE N 46 ILE H 1.8408 ? ? . . 1.0000 DNH 50 ALA N 50 ALA H -1.3708 ? ? . . 1.0000 DNH 51 LEU N 51 LEU H 1.2750 ? ? . . 1.0000 DNH 53 ALA N 53 ALA H 0.2959 ? ? . . 1.0000 DNH 54 LEU N 54 LEU H -3.9888 ? ? . . 1.0000 DNH 55 GLY N 55 GLY H 11.6645 ? ? . . 1.0000 DNH 58 SER N 58 SER H 7.7997 ? ? . . 1.0000 DNH 59 GLU N 59 GLU H -0.5217 ? ? . . 1.0000 DNH 60 LYS N 60 LYS H -2.8256 ? ? . . 1.0000 DNH 62 GLN N 62 GLN H 5.1291 ? ? . . 1.0000 DNH 64 GLU N 64 GLU H -1.8320 ? ? . . 1.0000 DNH 65 VAL N 65 VAL H 6.6450 ? ? . . 1.0000 DNH 66 GLU N 66 GLU H 1.2858 ? ? . . 1.0000 DNH 67 SER N 67 SER H -9.4180 ? ? . . 1.0000 DNH 68 LEU N 68 LEU H 4.6476 ? ? . . 1.0000 DNH 69 ILE N 69 ILE H 3.1936 ? ? . . 1.0000 DNH 80 HIS N 80 HIS H 1.8166 ? ? . . 1.0000 DNH 81 TYR N 81 TYR H 1.6275 ? ? . . 1.0000 DNH 82 THR N 82 THR H -0.6196 ? ? . . 1.0000 DNH 84 ARG N 84 ARG H -7.6132 ? ? . . 1.0000 DNH 85 ALA N 85 ALA H -14.2507 ? ? . . 1.0000 DNH 87 LYS N 87 LYS H -6.8600 ? ? . . 1.0000 DNH 89 ILE N 89 ILE H -10.8362 ? ? . . 1.0000 DNH 90 GLU N 90 GLU H -7.5504 ? ? . . 1.0000 DNH 91 LEU N 91 LEU H -8.7601 ? ? . . 1.0000 DNH 93 MET N 93 MET H -8.6100 ? ? . . 1.0000 DNH 94 ASP N 94 ASP H -9.0787 ? ? . . 1.0000 DNH 96 ALA N 96 ALA H -16.4530 ? ? . . 1.0000 DNH 97 ARG N 97 ARG H -9.9344 ? ? . . 1.0000 DNH 102 SER N 102 SER H 3.9031 ? ? . . 1.0000 DNH 103 TYR N 103 TYR H -5.9639 ? ? . . 1.0000 DNH 105 GLY N 105 GLY H 1.1650 ? ? . . 1.0000 DNH 107 GLU N 107 GLU H 8.1682 ? ? . . 1.0000 DNH 108 HIS N 108 HIS H 14.7542 ? ? . . 1.0000 DNH 110 LEU N 110 LEU H 10.2463 ? ? . . 1.0000 DNH 111 LEU N 111 LEU H 10.2668 ? ? . . 1.0000 DNH 112 GLY N 112 GLY H 14.7801 ? ? . . 1.0000 DNH 113 LEU N 113 LEU H 12.6704 ? ? . . 1.0000 DNH 119 GLY N 119 GLY H -0.2407 ? ? . . 1.0000 DNH 120 VAL N 120 VAL H -7.9184 ? ? . . 1.0000 DNH 121 ALA N 121 ALA H -5.5969 ? ? . . 1.0000 DNH 122 ALA N 122 ALA H -1.9199 ? ? . . 1.0000 DNH 126 ASN N 126 ASN H -8.2167 ? ? . . 1.0000 DNH 127 ASN N 127 ASN H -7.7518 ? ? . . 1.0000 DNH 128 LEU N 128 LEU H -1.5410 ? ? . . 1.0000 DNH 130 VAL N 130 VAL H -13.3793 ? ? . . 1.0000 DNH 132 LEU N 132 LEU H 9.9048 ? ? . . 1.0000 DNH 133 ASN N 133 ASN H 11.7558 ? ? . . 1.0000 DNH 134 LYS N 134 LYS H 7.1516 ? ? . . 1.0000 DNH 135 ALA N 135 ALA H 14.0758 ? ? . . 1.0000 DNH 137 GLN N 137 GLN H 10.3389 ? ? . . 1.0000 DNH 138 GLN N 138 GLN H 4.5895 ? ? . . 1.0000 DNH 140 LEU N 140 LEU H 13.7039 ? ? . . 1.0000 DNH 142 LEU N 142 LEU H 5.6317 ? ? . . 1.0000 stop_ _Details 'isotropic data collected at 499.8824609 MHz; anisotropic data collected at 600.7904943 MHz.' _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.7904943 _Text_data_format . _Text_data . save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8824609 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name N-ClpCR _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 MET N 1.5724 0.0356 2 5 GLY N 1.9052 0.0272 3 6 ARG N 2.0094 0.0343 4 7 PHE N 1.8767 0.0288 5 8 THR N 2.0912 0.0406 6 9 GLU N 2.0388 0.0403 7 10 ARG N 1.9921 0.0425 8 11 ALA N 2.0588 0.0391 9 12 GLN N 1.9814 0.0340 10 13 LYS N 1.9896 0.0578 11 14 VAL N 1.9697 0.0310 12 15 LEU N 2.0552 0.0373 13 16 ALA N 2.0149 0.0281 14 17 LEU N 2.0050 0.0337 15 18 ALA N 2.0313 0.0306 16 19 GLN N 1.9766 0.0285 17 20 GLU N 2.0093 0.0302 18 21 GLU N 2.0166 0.0355 19 22 ALA N 2.0296 0.0313 20 23 LEU N 1.9983 0.0296 21 24 ARG N 2.0086 0.0307 22 25 LEU N 2.0123 0.0379 23 26 GLY N 2.0553 0.0330 24 27 HIS N 2.0456 0.0332 25 28 ASN N 2.0434 0.0445 26 29 ASN N 1.9232 0.0320 27 30 ILE N 2.0097 0.0467 28 31 GLY N 2.0670 0.0661 29 33 GLU N 2.0350 0.0428 30 34 HIS N 2.1913 0.0438 31 36 LEU N 2.0827 0.0333 32 37 LEU N 2.0695 0.0349 33 38 GLY N 2.1737 0.0330 34 39 LEU N 2.1380 0.0330 35 40 VAL N 2.0706 0.0336 36 41 ARG N 2.1012 0.0377 37 42 GLU N 2.1234 0.0334 38 43 GLY N 2.0264 0.0525 39 45 GLY N 1.9291 0.0871 40 46 ILE N 2.1725 0.0574 41 47 ALA N 2.1984 0.0365 42 48 ALA N 2.0108 0.0300 43 50 ALA N 2.1472 0.0294 44 53 ALA N 2.0867 0.0265 45 54 LEU N 1.9674 0.0298 46 55 GLY N 2.0423 0.0316 47 57 GLY N 1.4221 0.0229 48 58 SER N 1.9930 0.0303 49 59 GLU N 2.0253 0.0257 50 60 LYS N 1.9668 0.0457 51 61 ILE N 2.0316 0.0292 52 62 GLN N 2.0945 0.0292 53 64 GLU N 2.0362 0.0317 54 65 VAL N 2.0721 0.0307 55 66 GLU N 2.0621 0.0346 56 67 SER N 1.9515 0.0258 57 68 LEU N 2.0070 0.0298 58 69 ILE N 1.9401 0.0345 59 70 GLY N 1.8905 0.0282 60 71 ARG N 1.7440 0.0250 61 72 GLY N 1.8567 0.0254 62 73 GLN N 1.7430 0.0228 63 75 MET N 1.7856 0.0206 64 76 SER N 1.7533 0.0203 65 78 THR N 1.7946 0.0237 66 79 ILE N 1.8806 0.0266 67 80 HIS N 1.9799 0.0350 68 81 TYR N 1.9811 0.0535 69 82 THR N 2.0941 0.0406 70 84 ARG N 1.9973 0.0494 71 85 ALA N 2.0264 0.0406 72 86 LYS N 1.9660 0.0633 73 87 LYS N 2.0362 0.0605 74 88 VAL N 1.9926 0.0350 75 89 ILE N 2.0663 0.0357 76 90 GLU N 2.0414 0.0337 77 91 LEU N 2.0338 0.0350 78 92 SER N 2.0303 0.0334 79 93 MET N 2.0056 0.0379 80 94 ASP N 1.9693 0.0327 81 95 GLU N 1.8875 0.0344 82 96 ALA N 1.9754 0.0331 83 97 ARG N 1.9334 0.0291 84 100 GLY N 2.0117 0.0312 85 101 HIS N 1.9706 0.0328 86 102 SER N 1.8169 0.1450 87 103 TYR N 1.8562 0.0310 88 104 VAL N 1.9704 0.0463 89 105 GLY N 2.0315 0.0710 90 107 GLU N 2.0415 0.0455 91 108 HIS N 2.2319 0.0431 92 109 ILE N 2.1353 0.0393 93 110 LEU N 2.1273 0.0332 94 111 LEU N 2.1231 0.0497 95 112 GLY N 2.1939 0.0381 96 113 LEU N 2.1786 0.0374 97 116 GLU N 2.2644 0.0385 98 117 GLY N 2.0765 0.0413 99 119 GLY N 2.0143 0.1542 100 120 VAL N 2.0813 0.0842 101 121 ALA N 2.1296 0.0356 102 123 ARG N 2.0645 0.0339 103 126 ASN N 2.0826 0.0306 104 127 ASN N 2.0715 0.0291 105 128 LEU N 2.0429 0.0336 106 130 VAL N 1.8979 0.0287 107 131 SER N 1.6517 0.0320 108 132 LEU N 2.1273 0.0390 109 133 ASN N 2.0906 0.0362 110 134 LYS N 2.0312 0.0572 111 136 ARG N 2.1503 0.0345 112 138 GLN N 2.0723 0.0278 113 139 VAL N 2.1345 0.0375 114 140 LEU N 2.1217 0.0317 115 142 LEU N 2.0022 0.0282 116 143 LEU N 1.9594 0.0278 117 145 SER N 1.6140 0.0160 118 146 ASN N 0.9319 0.0123 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.7904943 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name N-ClpCR _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 MET N 1.4399 0.0514 2 5 GLY N 1.6797 0.0414 3 6 ARG N 1.7054 0.0440 4 7 PHE N 1.5189 0.0407 5 8 THR N 1.6464 0.0446 6 9 GLU N 1.6312 0.0519 7 10 ARG N 1.5921 0.0587 8 11 ALA N 1.6437 0.0518 9 12 GLN N 1.5624 0.0445 10 13 LYS N 1.5682 0.0714 11 14 VAL N 1.5364 0.0412 12 15 LEU N 1.6738 0.0506 13 16 ALA N 1.6006 0.0410 14 17 LEU N 1.5619 0.0469 15 18 ALA N 1.6326 0.0431 16 19 GLN N 1.5407 0.0408 17 20 GLU N 1.5356 0.0396 18 21 GLU N 1.5881 0.0480 19 22 ALA N 1.6188 0.0419 20 23 LEU N 1.5790 0.0432 21 24 ARG N 1.5879 0.0425 22 25 LEU N 1.6318 0.0573 23 26 GLY N 1.6579 0.0427 24 27 HIS N 1.6322 0.0469 25 28 ASN N 1.5816 0.0602 26 29 ASN N 1.6190 0.0452 27 30 ILE N 1.6045 0.0573 28 31 GLY N 1.6077 0.0853 29 33 GLU N 1.6627 0.0646 30 34 HIS N 1.7460 0.0585 31 36 LEU N 1.6919 0.0457 32 37 LEU N 1.6543 0.0461 33 38 GLY N 1.7249 0.0432 34 39 LEU N 1.7128 0.0429 35 40 VAL N 1.6501 0.0465 36 41 ARG N 1.7208 0.0517 37 42 GLU N 1.7130 0.0475 38 43 GLY N 1.5643 0.0808 39 45 GLY N 1.6151 0.1588 40 46 ILE N 1.7172 0.0741 41 47 ALA N 1.7206 0.0477 42 48 ALA N 1.6018 0.0407 43 50 ALA N 1.6921 0.0447 44 53 ALA N 1.6747 0.0383 45 54 LEU N 1.5521 0.0422 46 55 GLY N 1.6297 0.0402 47 57 GLY N 1.1866 0.0336 48 58 SER N 1.6232 0.0424 49 59 GLU N 1.6291 0.0368 50 60 LYS N 1.5351 0.0606 51 61 ILE N 1.6340 0.0413 52 62 GLN N 1.6651 0.0407 53 64 GLU N 1.6112 0.0414 54 65 VAL N 1.6541 0.0429 55 66 GLU N 1.6579 0.0428 56 67 SER N 1.5419 0.0385 57 68 LEU N 1.5918 0.0423 58 69 ILE N 1.5453 0.0502 59 70 GLY N 1.5585 0.0355 60 71 ARG N 1.4667 0.0336 61 72 GLY N 1.5470 0.0387 62 73 GLN N 1.4905 0.0324 63 75 MET N 1.5879 0.0332 64 76 SER N 1.5614 0.0346 65 78 THR N 1.5129 0.0321 66 79 ILE N 1.5659 0.0409 67 80 HIS N 1.6617 0.0481 68 81 TYR N 1.6336 0.0669 69 82 THR N 1.6395 0.0454 70 84 ARG N 1.5581 0.0639 71 85 ALA N 1.5633 0.0544 72 86 LYS N 1.6022 0.0827 73 87 LYS N 1.5822 0.0743 74 88 VAL N 1.5515 0.0466 75 89 ILE N 1.6048 0.0467 76 90 GLU N 1.6045 0.0403 77 91 LEU N 1.5740 0.0461 78 92 SER N 1.5876 0.0462 79 93 MET N 1.5979 0.0515 80 94 ASP N 1.5387 0.0426 81 95 GLU N 1.5309 0.0458 82 96 ALA N 1.5443 0.0404 83 97 ARG N 1.5386 0.0397 84 100 GLY N 1.5787 0.0408 85 101 HIS N 1.5863 0.0453 86 102 SER N 1.4368 0.1778 87 103 TYR N 1.5225 0.0431 88 104 VAL N 1.5985 0.0595 89 105 GLY N 1.5394 0.0856 90 107 GLU N 1.6168 0.0698 91 108 HIS N 1.7813 0.0515 92 109 ILE N 1.7054 0.0523 93 110 LEU N 1.6945 0.0401 94 111 LEU N 1.6745 0.0659 95 112 GLY N 1.7813 0.0501 96 113 LEU N 1.7241 0.0482 97 116 GLU N 1.7299 0.0504 98 117 GLY N 1.6526 0.0554 99 119 GLY N 1.5986 0.3060 100 120 VAL N 1.7392 0.1386 101 121 ALA N 1.7204 0.0540 102 123 ARG N 1.6077 0.0457 103 126 ASN N 1.6514 0.0447 104 127 ASN N 1.6071 0.0409 105 128 LEU N 1.6040 0.0458 106 130 VAL N 1.5199 0.0393 107 131 SER N 1.4168 0.0498 108 132 LEU N 1.7216 0.0522 109 133 ASN N 1.7052 0.0467 110 134 LYS N 1.6061 0.0761 111 136 ARG N 1.6664 0.0488 112 138 GLN N 1.6421 0.0401 113 139 VAL N 1.6669 0.0483 114 140 LEU N 1.7060 0.0462 115 142 LEU N 1.6037 0.0403 116 143 LEU N 1.5990 0.0398 117 145 SER N 1.5190 0.0259 118 146 ASN N 0.9232 0.0204 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8824609 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name N-ClpCR _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 MET N 3.4902 0.1312 . . 2 5 GLY N 5.1088 0.1025 . . 3 6 ARG N 7.3850 0.1424 . . 4 7 PHE N 7.7752 0.1350 . . 5 8 THR N 8.6802 0.1590 . . 6 9 GLU N 9.3393 0.1557 . . 7 10 ARG N 9.7395 0.1869 . . 8 11 ALA N 9.3559 0.1523 . . 9 12 GLN N 9.5333 0.1493 . . 10 13 LYS N 9.8868 0.2399 . . 11 14 VAL N 9.5140 0.1535 . . 12 15 LEU N 9.5401 0.1627 . . 13 16 ALA N 9.2984 0.1285 . . 14 17 LEU N 9.3838 0.1675 . . 15 18 ALA N 9.1887 0.1333 . . 16 19 GLN N 9.3886 0.1374 . . 17 20 GLU N 9.4322 0.1377 . . 18 21 GLU N 9.4151 0.1529 . . 19 22 ALA N 9.2763 0.1364 . . 20 23 LEU N 9.4425 0.1488 . . 21 24 ARG N 9.4281 0.1477 . . 22 25 LEU N 9.7909 0.1825 . . 23 26 GLY N 8.4493 0.1341 . . 24 27 HIS N 8.8107 0.1429 . . 25 28 ASN N 8.1552 0.1789 . . 26 29 ASN N 8.4679 0.1472 . . 27 30 ILE N 8.9592 0.1942 . . 28 31 GLY N 8.5240 0.2276 . . 29 33 GLU N 9.0924 0.1727 . . 30 34 HIS N 9.0987 0.1685 . . 31 36 LEU N 9.0939 0.1487 . . 32 37 LEU N 9.0304 0.1516 . . 33 38 GLY N 8.8620 0.1399 . . 34 39 LEU N 8.8817 0.1349 . . 35 40 VAL N 10.9845 0.1673 . . 36 41 ARG N 7.3490 0.1637 . . 37 42 GLU N 8.2889 0.1348 . . 38 43 GLY N 12.8393 0.2788 . . 39 45 GLY N 9.8693 0.3550 . . 40 46 ILE N 9.1503 0.2067 . . 41 47 ALA N 9.0319 0.1391 . . 42 48 ALA N 8.3598 0.1322 . . 43 50 ALA N 8.5769 0.1298 . . 44 53 ALA N 8.5326 0.1195 . . 45 54 LEU N 8.3216 0.1319 . . 46 55 GLY N 8.5503 0.1357 . . 47 57 GLY N 6.0268 0.1172 . . 48 58 SER N 8.2209 0.1298 . . 49 59 GLU N 8.5086 0.1159 . . 50 60 LYS N 8.4094 0.1955 . . 51 61 ILE N 8.6892 0.1318 . . 52 62 GLN N 9.2085 0.1293 . . 53 64 GLU N 9.0385 0.1373 . . 54 65 VAL N 8.7297 0.1346 . . 55 66 GLU N 9.3129 0.1446 . . 56 67 SER N 9.1441 0.1237 . . 57 68 LEU N 8.5791 0.1443 . . 58 69 ILE N 10.0597 0.1725 . . 59 70 GLY N 7.2507 0.1148 . . 60 71 ARG N 6.7617 0.1096 . . 61 72 GLY N 6.3347 0.1127 . . 62 73 GLN N 5.4140 0.0969 . . 63 75 MET N 4.6952 0.0991 . . 64 76 SER N 4.7335 0.0981 . . 65 78 THR N 6.1369 0.1093 . . 66 79 ILE N 6.8748 0.1163 . . 67 80 HIS N 7.3644 0.1400 . . 68 81 TYR N 8.0984 0.1840 . . 69 82 THR N 9.0680 0.1504 . . 70 84 ARG N 10.2731 0.2169 . . 71 85 ALA N 9.4749 0.1736 . . 72 86 LYS N 8.0494 0.2321 . . 73 87 LYS N 9.4507 0.2481 . . 74 88 VAL N 9.7576 0.1738 . . 75 89 ILE N 9.3898 0.1642 . . 76 90 GLU N 9.4614 0.1404 . . 77 91 LEU N 9.4668 0.1698 . . 78 92 SER N 9.6826 0.1559 . . 79 93 MET N 9.4713 0.1635 . . 80 94 ASP N 9.2927 0.1500 . . 81 95 GLU N 9.4099 0.1545 . . 82 96 ALA N 9.3945 0.1494 . . 83 97 ARG N 9.5448 0.1414 . . 84 100 GLY N 8.8043 0.1443 . . 85 101 HIS N 8.4339 0.1459 . . 86 102 SER N 8.1779 0.4231 . . 87 103 TYR N 7.7633 0.1257 . . 88 104 VAL N 8.8391 0.1690 . . 89 105 GLY N 8.5578 0.2444 . . 90 107 GLU N 8.8609 0.1760 . . 91 108 HIS N 8.7855 0.1613 . . 92 109 ILE N 8.6650 0.1576 . . 93 110 LEU N 9.0549 0.1351 . . 94 111 LEU N 9.6296 0.1996 . . 95 112 GLY N 9.0089 0.1508 . . 96 113 LEU N 9.3154 0.1480 . . 97 116 GLU N 8.6498 0.1371 . . 98 117 GLY N 9.2118 0.1756 . . 99 119 GLY N 10.7464 0.6819 . . 100 120 VAL N 9.9274 0.2935 . . 101 121 ALA N 9.3481 0.1460 . . 102 123 ARG N 9.2471 0.1388 . . 103 126 ASN N 9.1139 0.1335 . . 104 127 ASN N 8.9571 0.1287 . . 105 128 LEU N 8.4277 0.1375 . . 106 130 VAL N 8.9072 0.1367 . . 107 131 SER N 7.6697 0.1541 . . 108 132 LEU N 8.4611 0.1555 . . 109 133 ASN N 8.8239 0.1385 . . 110 134 LYS N 8.8271 0.2326 . . 111 136 ARG N 8.6207 0.1469 . . 112 138 GLN N 9.2528 0.1304 . . 113 139 VAL N 8.8116 0.1553 . . 114 140 LEU N 9.0084 0.1437 . . 115 142 LEU N 8.5845 0.1366 . . 116 143 LEU N 7.7735 0.1236 . . 117 145 SER N 3.4729 0.0794 . . 118 146 ASN N 1.3287 0.0714 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.7904943 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name N-ClpCR _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 MET N 3.6808 0.1755 . . 2 5 GLY N 5.4758 0.1406 . . 3 6 ARG N 6.8138 0.1628 . . 4 7 PHE N 8.4617 0.2032 . . 5 8 THR N 9.4754 0.2564 . . 6 9 GLU N 9.7610 0.2705 . . 7 10 ARG N 10.6875 0.3342 . . 8 11 ALA N 9.8488 0.2847 . . 9 12 GLN N 10.2173 0.2598 . . 10 13 LYS N 10.3094 0.4672 . . 11 14 VAL N 10.2696 0.2505 . . 12 15 LEU N 10.4663 0.2770 . . 13 16 ALA N 10.1790 0.2301 . . 14 17 LEU N 10.0719 0.2649 . . 15 18 ALA N 10.0689 0.2335 . . 16 19 GLN N 10.2384 0.2358 . . 17 20 GLU N 10.1511 0.2350 . . 18 21 GLU N 10.1631 0.2690 . . 19 22 ALA N 10.0856 0.2358 . . 20 23 LEU N 10.2973 0.2394 . . 21 24 ARG N 10.5723 0.2447 . . 22 25 LEU N 11.0681 0.3350 . . 23 26 GLY N 9.4611 0.2155 . . 24 27 HIS N 9.6468 0.2309 . . 25 28 ASN N 9.1973 0.3083 . . 26 29 ASN N 9.8974 0.2433 . . 27 30 ILE N 9.8127 0.3494 . . 28 31 GLY N 9.1138 0.4888 . . 29 33 GLU N 10.2176 0.3809 . . 30 34 HIS N 10.0750 0.2976 . . 31 36 LEU N 9.6776 0.2336 . . 32 37 LEU N 9.9855 0.2466 . . 33 38 GLY N 9.7084 0.2220 . . 34 39 LEU N 9.7011 0.2260 . . 35 40 VAL N 12.3856 0.2817 . . 36 41 ARG N 9.5375 0.2688 . . 37 42 GLU N 8.9503 0.2193 . . 38 43 GLY N 16.3737 0.7595 . . 39 45 GLY N 11.7728 1.0109 . . 40 46 ILE N 9.9154 0.4096 . . 41 47 ALA N 9.8185 0.2420 . . 42 48 ALA N 9.0469 0.2044 . . 43 50 ALA N 9.4570 0.2016 . . 44 53 ALA N 9.5010 0.1916 . . 45 54 LEU N 8.9769 0.2216 . . 46 55 GLY N 9.0275 0.1879 . . 47 57 GLY N 6.7856 0.1679 . . 48 58 SER N 9.0252 0.2148 . . 49 59 GLU N 9.2432 0.1704 . . 50 60 LYS N 9.0306 0.3462 . . 51 61 ILE N 9.4158 0.2116 . . 52 62 GLN N 9.8215 0.2227 . . 53 64 GLU N 9.8469 0.2135 . . 54 65 VAL N 9.5384 0.2028 . . 55 66 GLU N 10.0815 0.2314 . . 56 67 SER N 9.9037 0.1971 . . 57 68 LEU N 9.3062 0.2208 . . 58 69 ILE N 12.0163 0.3256 . . 59 70 GLY N 7.8548 0.1750 . . 60 71 ARG N 7.5495 0.1547 . . 61 72 GLY N 6.9657 0.1637 . . 62 73 GLN N 5.8690 0.1467 . . 63 75 MET N 5.1046 0.1272 . . 64 76 SER N 5.1977 0.1281 . . 65 78 THR N 6.9445 0.1494 . . 66 79 ILE N 7.7839 0.1895 . . 67 80 HIS N 8.0891 0.2157 . . 68 81 TYR N 8.8131 0.3234 . . 69 82 THR N 10.0454 0.2716 . . 70 84 ARG N 11.2310 0.4127 . . 71 85 ALA N 10.1994 0.3103 . . 72 86 LYS N 9.3715 0.4610 . . 73 87 LYS N 10.1167 0.4490 . . 74 88 VAL N 10.5608 0.2634 . . 75 89 ILE N 10.3468 0.2686 . . 76 90 GLU N 10.3656 0.2389 . . 77 91 LEU N 10.1152 0.2642 . . 78 92 SER N 10.6012 0.2389 . . 79 93 MET N 10.1249 0.2792 . . 80 94 ASP N 10.2411 0.2436 . . 81 95 GLU N 10.3829 0.2685 . . 82 96 ALA N 10.2405 0.2383 . . 83 97 ARG N 10.2462 0.2364 . . 84 100 GLY N 9.2368 0.2191 . . 85 101 HIS N 9.4536 0.2341 . . 86 102 SER N 9.0809 0.8302 . . 87 103 TYR N 8.4787 0.2051 . . 88 104 VAL N 9.8850 0.3129 . . 89 105 GLY N 9.1729 0.4850 . . 90 107 GLU N 10.1016 0.3669 . . 91 108 HIS N 9.5638 0.2607 . . 92 109 ILE N 9.5164 0.2512 . . 93 110 LEU N 9.6514 0.2214 . . 94 111 LEU N 10.6320 0.3717 . . 95 112 GLY N 9.5822 0.2501 . . 96 113 LEU N 10.4627 0.2414 . . 97 116 GLU N 9.5129 0.2311 . . 98 117 GLY N 10.7389 0.3348 . . 99 119 GLY N 12.1689 2.4348 . . 100 120 VAL N 11.9390 0.8588 . . 101 121 ALA N 10.3399 0.2744 . . 102 123 ARG N 10.1545 0.2378 . . 103 126 ASN N 9.9280 0.2184 . . 104 127 ASN N 9.6488 0.1925 . . 105 128 LEU N 9.1375 0.2136 . . 106 130 VAL N 9.5917 0.2234 . . 107 131 SER N 8.7250 0.2819 . . 108 132 LEU N 9.2600 0.2552 . . 109 133 ASN N 9.6956 0.2175 . . 110 134 LYS N 10.0175 0.4360 . . 111 136 ARG N 9.4435 0.2394 . . 112 138 GLN N 9.8018 0.2116 . . 113 139 VAL N 9.6858 0.2653 . . 114 140 LEU N 9.7873 0.2428 . . 115 142 LEU N 9.2088 0.2136 . . 116 143 LEU N 8.3914 0.1851 . . 117 145 SER N 3.7076 0.1005 . . 118 146 ASN N 1.4962 0.0939 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8824609 _Mol_system_component_name N-ClpCR _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 MET -0.2870 0.0259 5 GLY 0.3957 0.0143 6 ARG 0.6146 0.0218 7 PHE 0.7131 0.0245 8 THR 0.7689 0.0284 9 GLU 0.8507 0.0278 10 ARG 0.7480 0.0323 11 ALA 0.8151 0.0291 12 GLN 0.7719 0.0264 13 LYS 0.7802 0.0636 14 VAL 0.7888 0.0260 15 LEU 0.8089 0.0325 16 ALA 0.7963 0.0235 17 LEU 0.7792 0.0286 18 ALA 0.7751 0.0230 19 GLN 0.7890 0.0239 20 GLU 0.7662 0.0226 21 GLU 0.8047 0.0274 22 ALA 0.7892 0.0233 23 LEU 0.7619 0.0244 24 ARG 0.7922 0.0229 25 LEU 0.7622 0.0308 26 GLY 0.7634 0.0221 27 HIS 0.7862 0.0251 28 ASN 0.7215 0.0309 29 ASN 0.6940 0.0229 30 ILE 0.7497 0.0378 31 GLY 0.7955 0.0624 33 GLU 0.8233 0.0353 34 HIS 0.7827 0.0341 36 LEU 0.7958 0.0249 37 LEU 0.8025 0.0280 38 GLY 0.7837 0.0242 39 LEU 0.7920 0.0227 40 VAL 0.7858 0.0270 41 ARG 0.7543 0.0293 42 GLU 0.7832 0.0239 43 GLY 0.7456 0.0458 45 GLY 0.7985 0.0729 46 ILE 0.7463 0.0407 47 ALA 0.8026 0.0259 48 ALA 0.7855 0.0229 50 ALA 0.7679 0.0216 53 ALA 0.7527 0.0185 54 LEU 0.7513 0.0254 55 GLY 0.7670 0.0215 57 GLY 0.5212 0.0181 58 SER 0.7381 0.0207 59 GLU 0.7890 0.0170 60 LYS 0.7479 0.0498 61 ILE 0.7702 0.0236 62 GLN 0.7575 0.0228 64 GLU 0.7685 0.0231 65 VAL 0.7769 0.0237 66 GLU 0.7883 0.0259 67 SER 0.7387 0.0190 68 LEU 0.7795 0.0252 69 ILE 0.7036 0.0292 70 GLY 0.6397 0.0181 71 ARG 0.5931 0.0160 72 GLY 0.4748 0.0157 73 GLN 0.4690 0.0131 75 MET 0.3097 0.0113 76 SER 0.3686 0.0107 78 THR 0.5520 0.0144 79 ILE 0.5365 0.0179 80 HIS 0.6665 0.0250 81 TYR 0.7720 0.0362 82 THR 0.8018 0.0287 84 ARG 0.7836 0.0372 85 ALA 0.8187 0.0311 86 LYS 0.7098 0.0635 87 LYS 0.7328 0.0587 88 VAL 0.8042 0.0294 89 ILE 0.7973 0.0296 90 GLU 0.8005 0.0270 91 LEU 0.7993 0.0293 92 SER 0.7525 0.0254 93 MET 0.8049 0.0330 94 ASP 0.8104 0.0247 95 GLU 0.8240 0.0297 96 ALA 0.7964 0.0243 97 ARG 0.7836 0.0241 100 GLY 0.7813 0.0226 101 HIS 0.7339 0.0225 102 SER 0.7622 0.0820 103 TYR 0.7102 0.0215 104 VAL 0.7408 0.0347 105 GLY 0.7846 0.0674 107 GLU 0.8082 0.0351 108 HIS 0.7978 0.0300 109 ILE 0.7942 0.0303 110 LEU 0.7974 0.0241 111 LEU 0.7923 0.0410 112 GLY 0.7958 0.0268 113 LEU 0.7849 0.0258 116 GLU 0.8116 0.0248 117 GLY 0.7938 0.0310 119 GLY 0.8080 0.1267 120 VAL 0.7960 0.0633 121 ALA 0.8171 0.0288 123 ARG 0.7686 0.0250 126 ASN 0.7991 0.0238 127 ASN 0.7821 0.0212 128 LEU 0.7721 0.0272 130 VAL 0.7754 0.0214 131 SER 0.6955 0.0306 132 LEU 0.7960 0.0271 133 ASN 0.7625 0.0231 134 LYS 0.7677 0.0564 136 ARG 0.7795 0.0269 138 GLN 0.7929 0.0222 139 VAL 0.7552 0.0291 140 LEU 0.7546 0.0255 142 LEU 0.7385 0.0241 143 LEU 0.6891 0.0209 145 SER 0.2443 0.0063 146 ASN -0.8897 0.0069 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.7904943 _Mol_system_component_name N-ClpCR _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 MET -0.0008 0.0316 5 GLY 0.5012 0.0209 6 ARG 0.5978 0.0279 7 PHE 0.7113 0.0339 8 THR 0.8013 0.0399 9 GLU 0.8535 0.0379 10 ARG 0.8132 0.0483 11 ALA 0.8390 0.0423 12 GLN 0.8158 0.0387 13 LYS 0.8313 0.0963 14 VAL 0.8344 0.0374 15 LEU 0.8293 0.0450 16 ALA 0.8317 0.0343 17 LEU 0.7957 0.0393 18 ALA 0.7998 0.0328 19 GLN 0.8059 0.0338 20 GLU 0.7924 0.0334 21 GLU 0.8206 0.0391 22 ALA 0.8435 0.0342 23 LEU 0.7988 0.0354 24 ARG 0.7831 0.0335 25 LEU 0.7811 0.0484 26 GLY 0.7868 0.0309 27 HIS 0.8075 0.0364 28 ASN 0.7780 0.0520 29 ASN 0.7137 0.0346 30 ILE 0.7828 0.0548 31 GLY 0.7895 0.0892 33 GLU 0.8217 0.0561 34 HIS 0.8697 0.0535 36 LEU 0.8070 0.0346 37 LEU 0.8240 0.0388 38 GLY 0.8222 0.0336 39 LEU 0.7866 0.0315 40 VAL 0.7784 0.0392 41 ARG 0.8297 0.0444 42 GLU 0.8052 0.0361 43 GLY 0.8213 0.0879 45 GLY 0.8092 0.1412 46 ILE 0.7749 0.0669 47 ALA 0.7784 0.0365 48 ALA 0.8226 0.0328 50 ALA 0.7892 0.0316 53 ALA 0.7687 0.0281 54 LEU 0.7785 0.0366 55 GLY 0.7800 0.0297 57 GLY 0.4931 0.0293 58 SER 0.7624 0.0294 59 GLU 0.8003 0.0235 60 LYS 0.7754 0.0725 61 ILE 0.7798 0.0348 62 GLN 0.7958 0.0324 64 GLU 0.7892 0.0329 65 VAL 0.8094 0.0334 66 GLU 0.8292 0.0381 67 SER 0.7967 0.0276 68 LEU 0.7713 0.0343 69 ILE 0.7535 0.0473 70 GLY 0.7219 0.0281 71 ARG 0.5909 0.0234 72 GLY 0.5225 0.0241 73 GLN 0.5339 0.0199 75 MET 0.4184 0.0176 76 SER 0.3875 0.0165 78 THR 0.5331 0.0206 79 ILE 0.6255 0.0293 80 HIS 0.7306 0.0370 81 TYR 0.7953 0.0507 82 THR 0.8212 0.0402 84 ARG 0.8569 0.0582 85 ALA 0.8254 0.0449 86 LYS 0.7741 0.0947 87 LYS 0.8777 0.0915 88 VAL 0.8308 0.0420 89 ILE 0.8170 0.0434 90 GLU 0.7886 0.0359 91 LEU 0.7983 0.0379 92 SER 0.7890 0.0337 93 MET 0.8092 0.0461 94 ASP 0.8148 0.0357 95 GLU 0.8365 0.0391 96 ALA 0.8174 0.0339 97 ARG 0.7962 0.0359 100 GLY 0.8250 0.0320 101 HIS 0.7765 0.0325 102 SER 0.7764 0.1073 103 TYR 0.7685 0.0313 104 VAL 0.7655 0.0546 105 GLY 0.8463 0.1001 107 GLU 0.8660 0.0613 108 HIS 0.8404 0.0406 109 ILE 0.8145 0.0393 110 LEU 0.8028 0.0332 111 LEU 0.8531 0.0662 112 GLY 0.7919 0.0352 113 LEU 0.8309 0.0384 116 GLU 0.8274 0.0345 117 GLY 0.8068 0.0463 119 GLY 0.9180 0.3046 120 VAL 0.8387 0.1258 121 ALA 0.7949 0.0388 123 ARG 0.7986 0.0359 126 ASN 0.8185 0.0355 127 ASN 0.7962 0.0302 128 LEU 0.7885 0.0395 130 VAL 0.8136 0.0325 131 SER 0.7499 0.0516 132 LEU 0.7929 0.0391 133 ASN 0.7904 0.0316 134 LYS 0.8008 0.0806 136 ARG 0.7869 0.0392 138 GLN 0.7987 0.0311 139 VAL 0.7489 0.0424 140 LEU 0.7858 0.0395 142 LEU 0.8060 0.0353 143 LEU 0.7224 0.0304 145 SER 0.2246 0.0096 146 ASN -0.7149 0.0090 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details ; Rex @ 499.8824609 MHz; Rex units = s-1; protocol as described in d'Auvergne, E.J., and Gooley, P.R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J Biomol NMR 40, 121-133. ; loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name N-ClpCR _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error . MET N 5 0.218 0.016 . . 0.762 0.013 0.286 0.021 925.50 33.63 . . . . . GLY N 5 0.453 0.010 . . 0.779 0.008 0.582 0.015 1367.45 66.47 . . . . . ARG N 6 0.556 0.028 . . 0.752 0.017 0.740 0.029 8222.98 2489.86 . . . . . PHE N 4 0.739 0.011 22.80 5.12 . . . . . . . . . . . THR N 3 0.808 0.011 . . . . . . . . . . . . . GLU N 1 0.879 0.007 . . . . . . . . . . . . . ARG N 3 0.869 0.013 . . . . . . . . . . . . . ALA N 3 0.863 0.011 . . . . . . . . . . . . . GLN N 3 0.848 0.014 . . . . . . . . . . . . . LYS N 1 0.894 0.017 . . . . . . . . . . . . . VAL N 3 0.858 0.012 . . . . . . . . . . . . . LEU N 3 0.887 0.014 . . . . . . . . . . . . . ALA N 1 0.878 0.008 . . . . . . . . . . . . . LEU N 1 0.875 0.009 . . . . . . . . . . . . . ALA N 1 0.879 0.005 . . . . . . . . . . . . . GLN N 3 0.826 0.009 . . . . . . . . . . . . . GLU N 1 0.876 0.009 . . . . . . . . . . . . . GLU N 3 0.868 0.012 . . . . . . . . . . . . . ALA N 3 0.848 0.008 . . . . . . . . . . . . . LEU N 3 0.840 0.011 . . . . . . . . . . . . . ARG N 3 0.872 0.009 . . . . . . . . . . . . . LEU N 3 0.851 0.011 . . . . . . . . . . . . . GLY N 3 0.823 0.010 . . . . . . . . . . . . . HIS N 3 0.844 0.010 . . . . . . . . . . . . . ASN N 2 0.826 0.014 24.99 12.31 . . . . . . . . . . . ASN N 7 0.577 0.168 . . 0.730 0.073 0.789 0.196 2553.48 2011.96 . . . . . ILE N 3 0.782 0.013 . . . . . . . . . . . . . GLY N 3 0.803 0.019 . . . . . . . . . . . . . GLU N 3 0.832 0.012 . . . . . . . . . . . . . HIS N 3 0.863 0.014 . . . . . . . . . . . . . LEU N 3 0.848 0.013 . . . . . . . . . . . . . LEU N 3 0.840 0.011 . . . . . . . . . . . . . GLY N 3 0.850 0.010 . . . . . . . . . . . . . LEU N 3 0.844 0.010 . . . . . . . . . . . . . VAL N 3 0.836 0.012 . . . . . . . . . . . . . ARG N 1 0.830 0.006 . . . . . . . . . . . . . GLU N 3 0.827 0.010 . . . . . . . . . . . . . GLY N 3 0.793 0.020 . . . . . . . . . . . . . GLY N 3 0.853 0.025 . . . . . . . . . . . . . ILE N 3 0.843 0.018 . . . . . . . . . . . . . ALA N 3 0.854 0.012 . . . . . . . . . . . . . ALA N 3 0.782 0.009 . . . . . . . . . . . . . ALA N 3 0.833 0.010 . . . . . . . . . . . . . ALA N 4 0.805 0.011 13.45 6.85 . . . . . . . . . . . LEU N 4 0.768 0.013 10.06 6.12 . . . . . . . . . . . GLY N 3 0.815 0.010 . . . . . . . . . . . . . GLY N 4 0.523 0.007 32.28 1.74 . . . . . . . . . . . SER N 4 0.804 0.009 19.67 7.16 . . . . . . . . . . . GLU N 3 0.823 0.009 . . . . . . . . . . . . . LYS N 1 0.821 0.009 . . . . . . . . . . . . . ILE N 3 0.834 0.011 . . . . . . . . . . . . . GLN N 3 0.855 0.011 . . . . . . . . . . . . . GLU N 1 0.871 0.010 . . . . . . . . . . . . . VAL N 3 0.842 0.010 . . . . . . . . . . . . . GLU N 3 0.845 0.011 . . . . . . . . . . . . . SER N 4 0.828 0.009 18.21 6.33 . . . . . . . . . . . LEU N 3 0.818 0.011 . . . . . . . . . . . . . ILE N 4 0.768 0.012 24.35 9.48 . . . . . . . . . . . GLY N 5 0.698 0.015 . . 0.799 0.007 0.874 0.019 1137.56 184.49 . . . . . ARG N 8 0.469 0.103 . . 0.630 0.038 0.744 0.123 6335.33 2296.42 . . . . . GLY N 5 0.644 0.015 . . 0.791 0.008 0.814 0.015 624.91 102.95 . . . . . GLN N 6 0.415 0.013 . . 0.676 0.032 0.614 0.021 2203.72 588.46 . . . . . MET N 6 0.338 0.012 . . 0.702 0.024 0.481 0.019 1742.14 209.39 . . . . . SER N 8 0.234 0.124 . . 0.558 0.041 0.420 0.196 4730.12 1806.42 . . . . . THR N 6 0.591 0.023 . . 0.674 0.024 0.876 0.026 3821.93 2436.56 . . . . . ILE N 7 0.543 0.079 . . 0.756 0.023 0.719 0.086 1447.04 455.41 . . . . . HIS N 7 0.616 0.136 . . 0.771 0.064 0.800 0.136 2118.46 1385.90 . . . . . TYR N 3 0.778 0.015 . . . . . . . . . . . . . THR N 3 0.814 0.015 . . . . . . . . . . . . . ARG N 3 0.862 0.025 . . . . . . . . . . . . . ALA N 1 0.883 0.011 . . . . . . . . . . . . . LYS N 7 0.335 0.227 . . 0.704 0.066 0.476 0.282 6244.59 2226.06 . . . . . LYS N 1 0.885 0.018 . . . . . . . . . . . . . VAL N 3 0.866 0.010 . . . . . . . . . . . . . ILE N 1 0.891 0.009 . . . . . . . . . . . . . GLU N 1 0.891 0.007 . . . . . . . . . . . . . LEU N 1 0.884 0.013 . . . . . . . . . . . . . SER N 4 0.881 0.015 24.67 13.66 . . . . . . . . . . . MET N 1 0.882 0.009 . . . . . . . . . . . . . ASP N 3 0.848 0.010 . . . . . . . . . . . . . GLU N 3 0.831 0.013 . . . . . . . . . . . . . ALA N 1 0.872 0.008 . . . . . . . . . . . . . ARG N 3 0.849 0.012 . . . . . . . . . . . . . GLY N 3 0.817 0.012 . . . . . . . . . . . . . HIS N 4 0.781 0.011 15.80 6.15 . . . . . . . . . . . SER N 3 0.743 0.044 . . . . . . . . . . . . . TYR N 7 0.640 0.076 . . 0.756 0.027 0.847 0.077 2423.54 767.23 . . . . . VAL N 4 0.800 0.017 18.48 12.66 . . . . . . . . . . . GLY N 3 0.808 0.024 . . . . . . . . . . . . . GLU N 3 0.815 0.013 . . . . . . . . . . . . . HIS N 3 0.876 0.015 . . . . . . . . . . . . . ILE N 3 0.841 0.014 . . . . . . . . . . . . . LEU N 3 0.859 0.012 . . . . . . . . . . . . . LEU N 3 0.845 0.020 . . . . . . . . . . . . . GLY N 3 0.860 0.011 . . . . . . . . . . . . . LEU N 3 0.860 0.017 . . . . . . . . . . . . . GLU N 3 0.872 0.015 . . . . . . . . . . . . . GLY N 3 0.830 0.011 . . . . . . . . . . . . . GLY N 3 0.870 0.050 . . . . . . . . . . . . . VAL N 3 0.830 0.023 . . . . . . . . . . . . . ALA N 3 0.837 0.013 . . . . . . . . . . . . . ARG N 3 0.828 0.011 . . . . . . . . . . . . . ASN N 3 0.831 0.010 . . . . . . . . . . . . . ASN N 3 0.813 0.010 . . . . . . . . . . . . . LEU N 3 0.791 0.013 . . . . . . . . . . . . . VAL N 3 0.814 0.009 . . . . . . . . . . . . . SER N 7 0.487 0.149 . . 0.654 0.084 0.745 0.184 2963.99 1765.98 . . . . . LEU N 1 0.868 0.009 . . . . . . . . . . . . . ASN N 3 0.830 0.011 . . . . . . . . . . . . . LYS N 1 0.864 0.013 . . . . . . . . . . . . . ARG N 3 0.848 0.011 . . . . . . . . . . . . . GLN N 3 0.861 0.012 . . . . . . . . . . . . . VAL N 4 0.840 0.010 21.23 11.35 . . . . . . . . . . . LEU N 3 0.838 0.013 . . . . . . . . . . . . . LEU N 4 0.810 0.014 13.64 6.81 . . . . . . . . . . . LEU N 4 0.751 0.011 27.27 5.72 . . . . . . . . . . . SER N 6 0.103 0.026 . . 0.483 0.006 0.213 0.053 6366.45 941.85 . . . . . ASN N 6 0.037 0.006 . . 0.282 0.011 0.130 0.018 1532.60 97.50 . . . . stop_ _Tau_s_value_units ps save_