data_18903 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxation study of Delta subunit of RNA polymerase from Bacillus subtilis ; _BMRB_accession_number 18903 _BMRB_flat_file_name bmr18903.str _Entry_type original _Submission_date 2012-12-16 _Accession_date 2012-12-16 _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 Kaderavek Pavel . . 2 Sklenar Vladimir . . 3 Zidek Lukas . . 4 Rabatinova Alzbeta . . 5 Krasny Libor . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count dipole_CSA_cross_correlation_relaxation 4 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 98 "T2 relaxation values" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-14 original author . stop_ _Original_release_date 2014-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Spectral density mapping protocols for analysis of molecular motions in disordered proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24515886 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kadeavek Pavel . . 2 Zapletal Vojtch . . 3 Rabatinova Albeta . . 4 Krasny Libor . . 5 Sklena Vladimir . . 6 Zidek Luka . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . loop_ _Keyword 'delta subunit' 'gram-positive bacteria' NMR 'NMR relaxation' 'RNA polymerase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name delta _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label delta $delta stop_ _System_molecular_weight 20400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_delta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common delta _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GIKQYSQEELKEMALVEIAH ELFEEHKKPVPFQELLNEIA SLLGVKKEELGDRIAQFYTD LNIDGRFLALSDQTWGLRSW YPYDQLDEETQPTVKAKKKK AKKAVEEDLDLDEFEEIDED DLDLDEVEEELDLEADDFDE EDLDEDDDDLEIEEDIIDED DEDYDDEEEEIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ILE 3 4 LYS 4 5 GLN 5 6 TYR 6 7 SER 7 8 GLN 8 9 GLU 9 10 GLU 10 11 LEU 11 12 LYS 12 13 GLU 13 14 MET 14 15 ALA 15 16 LEU 16 17 VAL 17 18 GLU 18 19 ILE 19 20 ALA 20 21 HIS 21 22 GLU 22 23 LEU 23 24 PHE 24 25 GLU 25 26 GLU 26 27 HIS 27 28 LYS 28 29 LYS 29 30 PRO 30 31 VAL 31 32 PRO 32 33 PHE 33 34 GLN 34 35 GLU 35 36 LEU 36 37 LEU 37 38 ASN 38 39 GLU 39 40 ILE 40 41 ALA 41 42 SER 42 43 LEU 43 44 LEU 44 45 GLY 45 46 VAL 46 47 LYS 47 48 LYS 48 49 GLU 49 50 GLU 50 51 LEU 51 52 GLY 52 53 ASP 53 54 ARG 54 55 ILE 55 56 ALA 56 57 GLN 57 58 PHE 58 59 TYR 59 60 THR 60 61 ASP 61 62 LEU 62 63 ASN 63 64 ILE 64 65 ASP 65 66 GLY 66 67 ARG 67 68 PHE 68 69 LEU 69 70 ALA 70 71 LEU 71 72 SER 72 73 ASP 73 74 GLN 74 75 THR 75 76 TRP 76 77 GLY 77 78 LEU 78 79 ARG 79 80 SER 80 81 TRP 81 82 TYR 82 83 PRO 83 84 TYR 84 85 ASP 85 86 GLN 86 87 LEU 87 88 ASP 88 89 GLU 89 90 GLU 90 91 THR 91 92 GLN 92 93 PRO 93 94 THR 94 95 VAL 95 96 LYS 96 97 ALA 97 98 LYS 98 99 LYS 99 100 LYS 100 101 LYS 101 102 ALA 102 103 LYS 103 104 LYS 104 105 ALA 105 106 VAL 106 107 GLU 107 108 GLU 108 109 ASP 109 110 LEU 110 111 ASP 111 112 LEU 112 113 ASP 113 114 GLU 114 115 PHE 115 116 GLU 116 117 GLU 117 118 ILE 118 119 ASP 119 120 GLU 120 121 ASP 121 122 ASP 122 123 LEU 123 124 ASP 124 125 LEU 125 126 ASP 126 127 GLU 127 128 VAL 128 129 GLU 129 130 GLU 130 131 GLU 131 132 LEU 132 133 ASP 133 134 LEU 134 135 GLU 135 136 ALA 136 137 ASP 137 138 ASP 138 139 PHE 139 140 ASP 140 141 GLU 141 142 GLU 142 143 ASP 143 144 LEU 144 145 ASP 145 146 GLU 146 147 ASP 147 148 ASP 148 149 ASP 149 150 ASP 150 151 LEU 151 152 GLU 152 153 ILE 153 154 GLU 154 155 GLU 155 156 ASP 156 157 ILE 157 158 ILE 158 159 ASP 159 160 GLU 160 161 ASP 161 162 ASP 162 163 GLU 163 164 ASP 164 165 TYR 165 166 ASP 166 167 ASP 167 168 GLU 168 169 GLU 169 170 GLU 170 171 GLU 171 172 ILE 172 173 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 BMRB 16635 N_delta 52.91 99 100.00 100.00 1.78e-58 BMRB 16912 delta 100.00 172 100.00 100.00 8.88e-109 BMRB 19284 delta 100.00 172 100.00 100.00 8.88e-109 PDB 2KRC "Solution Structure Of The N-Terminal Domain Of Bacillus Subtilis Delta Subunit Of Rna Polymerase" 52.91 99 100.00 100.00 1.78e-58 PDB 4NC7 "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With I3c And Nickel Ions" 52.91 99 100.00 100.00 1.78e-58 PDB 4NC8 "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With Nickel Ions" 52.91 99 100.00 100.00 1.78e-58 DBJ BAM55799 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7613]" 100.00 173 100.00 100.00 6.27e-109 DBJ BAM59811 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7003]" 100.00 173 100.00 100.00 6.27e-109 EMBL CAA89869 "RNA polymerase delta subunit [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.27e-109 EMBL CAB15744 "RNA polymerase (delta subunit) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.27e-109 EMBL CCU60814 "DNA-directed RNA polymerase delta subunit [Bacillus subtilis E1]" 100.00 173 99.42 100.00 2.11e-108 EMBL CEI59524 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 100.00 173 100.00 100.00 6.27e-109 EMBL CEJ79381 "DNA-directed RNA polymerase subunit delta [Bacillus sp.]" 100.00 173 100.00 100.00 6.27e-109 GB AAA22710 "rpoE protein (ttg start codon) [Bacillus subtilis]" 100.00 173 100.00 100.00 6.27e-109 GB ADM39706 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. spizizenii str. W23]" 63.37 173 98.17 98.17 1.23e-59 GB ADV94526 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BSn5]" 100.00 173 98.84 100.00 3.30e-108 GB AEP92774 "hypothetical protein I33_3861 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 173 98.84 99.42 9.11e-108 GB AFI30331 "DNA-directed RNA polymerase subunit delta [Bacillus sp. JS]" 100.00 173 98.84 100.00 3.30e-108 REF NP_391597 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.27e-109 REF WP_003221959 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 63.37 173 98.17 98.17 1.23e-59 REF WP_003227609 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 99.42 100.00 2.11e-108 REF WP_003235832 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 63.37 173 99.08 99.08 1.42e-61 REF WP_003243661 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 100.00 100.00 6.27e-109 SP P12464 "RecName: Full=DNA-directed RNA polymerase subunit delta; AltName: Full=RNAP delta factor" 100.00 173 100.00 100.00 6.27e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $delta '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 _Variant _Vector_name $delta 'recombinant technology' . Escherichia coli BL21 DE3 pET22b 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 $delta 8.8 mg/mL '[U-100% 15N]' D2O 10 % [U-2H] 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 50 uM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' H2O 90 % '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_Relax _Saveframe_category software _Name Relax _Version . loop_ _Vendor _Address _Electronic_address 'd'Auvergne, E. J. and Gooley, P. R.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_R1_15N,1H_correlation_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R1 15N,1H correlation' _Sample_label $sample_1 save_ save_2D_R2_15N,1H_correlation_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R2 15N,1H correlation' _Sample_label $sample_1 save_ save_2D_NOE_15N,1H_correlation_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOE 15N,1H correlation' _Sample_label $sample_1 save_ save_2D_15N_(coupled),1H_correlation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N (coupled),1H correlation' _Sample_label $sample_1 save_ save_2D_15N,1H_correlation_-_transverse_cross-correlated_cross-relaxation_(symmetrical_reconversion)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N,1H correlation - transverse cross-correlated cross-relaxation (symmetrical reconversion)' _Sample_label $sample_1 save_ save_2D_15N,1H_correlation_-_longitudinal_cross-correlated_cross-relaxation_(symmetrical_reconversion)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N,1H correlation - longitudinal cross-correlated cross-relaxation (symmetrical reconversion)' _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 'ionic strength' 30 . mM pH 6.6 . pH pressure 1 . atm temperature 300.15 . K stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500.13 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name delta _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ILE N 1.42232 0.13711 2 3 LYS N 1.65024 0.05754 3 4 GLN N 1.71966 0.05968 4 5 TYR N 1.72126 0.07022 5 6 SER N 1.73282 0.09560 6 7 GLN N 1.86544 0.06870 7 8 GLU N 1.85681 0.03333 8 9 GLU N 1.87033 0.04738 9 10 LEU N 1.74416 0.03347 10 11 LYS N 1.90375 0.06226 11 12 GLU N 1.83306 0.04907 12 13 MET N 1.76086 0.05539 13 14 ALA N 1.83881 0.03841 14 16 VAL N 1.95702 0.05809 15 17 GLU N 1.98941 0.07466 16 18 ILE N 2.03502 0.08291 17 19 ALA N 1.94697 0.05478 18 20 HIS N 1.93177 0.09693 19 21 GLU N 1.86611 0.04832 20 22 LEU N 1.85986 0.06932 21 23 PHE N 2.03411 0.09483 22 24 GLU N 1.89186 0.05219 23 25 GLU N 1.87276 0.05999 24 26 HIS N 2.07444 0.08473 25 27 LYS N 2.18775 0.19136 26 28 LYS N 1.62879 0.04779 27 30 VAL N 1.89841 0.07557 28 32 PHE N 1.81910 0.06826 29 33 GLN N 1.79901 0.04166 30 34 GLU N 1.54381 0.06078 31 35 LEU N 1.76379 0.04813 32 36 LEU N 1.78591 0.04315 33 37 ASN N 1.75827 0.04108 34 40 ALA N 1.79294 0.04002 35 41 SER N 1.67251 0.03281 36 42 LEU N 1.67964 0.03483 37 44 GLY N 1.64735 0.04678 38 45 VAL N 1.59781 0.03915 39 46 LYS N 1.66201 0.03572 40 47 LYS N 1.91044 0.04487 41 48 GLU N 1.97612 0.03568 42 49 GLU N 1.90165 0.03710 43 50 LEU N 1.98353 0.04843 44 51 GLY N 1.86812 0.03245 45 52 ASP N 1.70421 0.12446 46 53 ARG N 1.89251 0.04154 47 54 ILE N 1.73708 0.04897 48 56 GLN N 1.65944 0.03966 49 57 PHE N 1.70384 0.04315 50 58 TYR N 1.70779 0.04904 51 60 ASP N 1.62883 0.04654 52 62 ASN N 1.38201 0.08932 53 63 ILE N 1.66677 0.08981 54 64 ASP N 1.77638 0.08031 55 66 ARG N 1.70025 0.07153 56 67 PHE N 2.09897 0.07472 57 68 LEU N 1.74081 0.06108 58 69 ALA N 1.88422 0.04987 59 71 SER N 1.64409 0.10066 60 73 GLN N 1.66420 0.07004 61 74 THR N 1.39897 0.06379 62 75 TRP N 1.60560 0.07049 63 76 GLY N 1.80854 0.07131 64 79 SER N 1.62721 0.06042 65 80 TRP N 1.84769 0.05861 66 81 TYR N 1.83704 0.05448 67 85 GLN N 1.61393 0.01445 68 86 LEU N 1.54368 0.01418 69 89 GLU N 1.54000 0.01356 70 90 THR N 1.49562 0.01651 71 91 GLN N 1.46093 0.01573 72 93 THR N 1.43429 0.01819 73 96 ALA N 1.56861 0.01792 74 101 ALA N 1.76696 0.01788 75 105 VAL N 1.60134 0.01138 76 115 GLU N 1.66642 0.01211 77 117 ILE N 1.64712 0.01162 78 118 ASP N 1.68257 0.01253 79 120 ASP N 1.67674 0.01095 80 126 GLU N 1.48246 0.00810 81 127 VAL N 1.40035 0.00918 82 128 GLU N 1.42493 0.01019 83 134 GLU N 1.39282 0.00817 84 135 ALA N 1.26475 0.00702 85 138 PHE N 1.31266 0.00712 86 140 GLU N 1.32976 0.00697 87 151 GLU N 1.37341 0.00733 88 152 ILE N 1.26518 0.00689 89 153 GLU N 1.34800 0.00846 90 155 ASP N 1.33940 0.00794 91 156 ILE N 1.26317 0.00668 92 157 ILE N 1.29682 0.00812 93 158 ASP N 1.33045 0.00823 94 163 ASP N 1.38346 0.00678 95 164 TYR N 1.30830 0.00671 96 166 ASP N 1.35195 0.00646 97 169 GLU N 1.29091 0.00562 98 172 LYS N 0.95482 0.00457 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500.13 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name delta _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 2 ILE N 9.17519 0.96184 . . 2 3 LYS N 9.95069 0.41658 . . 3 4 GLN N 9.73335 0.37480 . . 4 5 TYR N 7.83669 0.39136 . . 5 6 SER N 9.56942 0.54019 . . 6 7 GLN N 10.06680 0.39032 . . 7 8 GLU N 8.63326 0.18286 . . 8 9 GLU N 9.05387 0.26266 . . 9 10 LEU N 8.79369 0.20877 . . 10 11 LYS N 10.67256 0.39321 . . 11 12 GLU N 8.20738 0.25583 . . 12 13 MET N 8.08553 0.31021 . . 13 14 ALA N 9.00558 0.21640 . . 14 16 VAL N 12.76580 0.38211 . . 15 17 GLU N 11.15990 0.48609 . . 16 18 ILE N 10.58377 0.46830 . . 17 19 ALA N 10.49063 0.33331 . . 18 20 HIS N 10.40602 0.52312 . . 19 21 GLU N 10.92358 0.31090 . . 20 22 LEU N 7.57131 0.36822 . . 21 23 PHE N 10.28195 0.51394 . . 22 24 GLU N 10.04915 0.30833 . . 23 25 GLU N 9.86050 0.34428 . . 24 26 HIS N 9.23361 0.42787 . . 25 27 LYS N 12.07086 1.03639 . . 26 28 LYS N 12.05632 0.36093 . . 27 30 VAL N 11.73735 0.48195 . . 28 32 PHE N 11.60937 0.46061 . . 29 33 GLN N 11.38914 0.27175 . . 30 34 GLU N 11.89213 0.49825 . . 31 35 LEU N 10.59840 0.32564 . . 32 36 LEU N 11.05977 0.28764 . . 33 37 ASN N 11.59852 0.29289 . . 34 40 ALA N 10.73800 0.25211 . . 35 41 SER N 11.96464 0.24588 . . 36 42 LEU N 10.07331 0.25338 . . 37 44 GLY N 11.19674 0.36880 . . 38 45 VAL N 11.10967 0.32199 . . 39 46 LYS N 9.65590 0.23216 . . 40 47 LYS N 9.20444 0.24081 . . 41 48 GLU N 8.69365 0.17942 . . 42 49 GLU N 9.24793 0.20673 . . 43 50 LEU N 8.66482 0.25107 . . 44 51 GLY N 7.56417 0.16084 . . 45 52 ASP N 9.21647 0.75015 . . 46 53 ARG N 9.03270 0.22786 . . 47 54 ILE N 12.16260 0.34443 . . 48 56 GLN N 12.82312 0.31233 . . 49 57 PHE N 11.10450 0.31266 . . 50 58 TYR N 12.88102 0.40637 . . 51 60 ASP N 13.32103 0.41549 . . 52 62 ASN N 21.34132 1.24162 . . 53 63 ILE N 15.46418 0.87700 . . 54 64 ASP N 8.70276 0.44591 . . 55 66 ARG N 11.66502 0.56961 . . 56 67 PHE N 10.12441 0.42120 . . 57 68 LEU N 10.40597 0.42492 . . 58 69 ALA N 8.62878 0.26868 . . 59 71 SER N 10.03342 0.66162 . . 60 73 GLN N 11.90621 0.51376 . . 61 74 THR N 11.83412 0.60729 . . 62 75 TRP N 11.63644 0.54655 . . 63 76 GLY N 9.64186 0.43028 . . 64 79 SER N 13.44513 0.52627 . . 65 80 TRP N 11.21762 0.37917 . . 66 81 TYR N 9.25966 0.31791 . . 67 85 GLN N 4.03686 0.06206 . . 68 86 LEU N 3.21126 0.05584 . . 69 89 GLU N 3.04251 0.05446 . . 70 90 THR N 3.00583 0.06552 . . 71 91 GLN N 3.28264 0.06633 . . 72 93 THR N 3.29545 0.08354 . . 73 96 ALA N 3.70947 0.07482 . . 74 101 ALA N 3.91440 0.06575 . . 75 105 VAL N 3.16933 0.04324 . . 76 115 GLU N 3.40205 0.04477 . . 77 117 ILE N 3.41862 0.04368 . . 78 118 ASP N 3.34474 0.04838 . . 79 120 ASP N 3.20936 0.04230 . . 80 126 GLU N 2.77262 0.03353 . . 81 127 VAL N 3.02434 0.03933 . . 82 128 GLU N 3.08547 0.04241 . . 83 134 GLU N 2.39146 0.03396 . . 84 135 ALA N 2.44274 0.03226 . . 85 138 PHE N 2.06251 0.02968 . . 86 140 GLU N 2.33492 0.02991 . . 87 151 GLU N 2.31700 0.03101 . . 88 152 ILE N 2.62036 0.03236 . . 89 153 GLU N 2.56494 0.03630 . . 90 155 ASP N 2.36523 0.03451 . . 91 156 ILE N 2.32163 0.03089 . . 92 157 ILE N 2.50657 0.03690 . . 93 158 ASP N 2.40527 0.03527 . . 94 163 ASP N 1.89096 0.02689 . . 95 164 TYR N 1.69230 0.02667 . . 96 166 ASP N 1.67585 0.02544 . . 97 169 GLU N 1.46897 0.02347 . . 98 172 LYS N 0.96819 0.02349 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.05 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name delta _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 2 ILE N 9.60084 0.34023 . . 2 3 LYS N 10.81981 0.11430 . . 3 4 GLN N 11.15044 0.12722 . . 4 5 TYR N 9.02151 0.10904 . . 5 6 SER N 8.92242 0.16452 . . 6 7 GLN N 10.09477 0.11779 . . 7 8 GLU N 9.22569 0.04969 . . 8 9 GLU N 9.24801 0.07516 . . 9 10 LEU N 9.26871 0.06344 . . 10 11 LYS N 10.84419 0.11781 . . 11 12 GLU N 9.05184 0.07288 . . 12 13 MET N 9.76331 0.09914 . . 13 14 ALA N 9.62374 0.05756 . . 14 16 VAL N 14.81397 0.13471 . . 15 17 GLU N 12.56252 0.13704 . . 16 18 ILE N 11.01072 0.14736 . . 17 19 ALA N 10.50858 0.08934 . . 18 20 HIS N 10.77655 0.15474 . . 19 21 GLU N 11.50452 0.10727 . . 20 22 LEU N 7.05483 0.09465 . . 21 23 PHE N 10.88178 0.17285 . . 22 24 GLU N 10.74985 0.10980 . . 23 25 GLU N 10.88297 0.13691 . . 24 26 HIS N 9.48543 0.14598 . . 25 27 LYS N 12.53331 0.35521 . . 26 28 LYS N 12.72719 0.12753 . . 27 30 VAL N 12.84281 0.20002 . . 28 32 PHE N 12.88211 0.15850 . . 29 33 GLN N 11.70830 0.09235 . . 30 34 GLU N 13.46243 0.12967 . . 31 35 LEU N 11.20329 0.09965 . . 32 36 LEU N 11.64178 0.09006 . . 33 37 ASN N 12.53800 0.09854 . . 34 38 GLU N 8.73580 0.05995 . . 35 40 ALA N 11.22338 0.08042 . . 36 41 SER N 12.50291 0.07160 . . 37 42 LEU N 11.31404 0.07391 . . 38 44 GLY N 12.29633 0.13171 . . 39 45 VAL N 11.45783 0.09872 . . 40 46 LYS N 10.24650 0.07109 . . 41 47 LYS N 9.41573 0.06221 . . 42 48 GLU N 9.64555 0.05716 . . 43 49 GLU N 9.69465 0.06343 . . 44 50 LEU N 9.44718 0.07250 . . 45 51 GLY N 7.96464 0.04516 . . 46 52 ASP N 9.64415 0.23133 . . 47 53 ARG N 9.84091 0.07133 . . 48 54 ILE N 12.40661 0.10770 . . 49 56 GLN N 13.14457 0.10285 . . 50 57 PHE N 12.07549 0.10184 . . 51 58 TYR N 13.02311 0.11848 . . 52 60 ASP N 13.66217 0.11566 . . 53 62 ASN N 22.11009 0.41257 . . 54 63 ILE N 18.62836 0.44845 . . 55 64 ASP N 8.53305 0.17786 . . 56 66 ARG N 12.64404 0.21664 . . 57 67 PHE N 10.63106 0.15861 . . 58 68 LEU N 11.85242 0.13502 . . 59 69 ALA N 10.06208 0.10575 . . 60 71 SER N 9.35277 0.20154 . . 61 72 ASP N 9.79139 0.20298 . . 62 73 GLN N 14.36950 0.22660 . . 63 74 THR N 13.58610 0.20802 . . 64 75 TRP N 11.18918 0.17812 . . 65 76 GLY N 9.77048 0.15137 . . 66 79 SER N 13.06653 0.17488 . . 67 80 TRP N 11.22059 0.10893 . . 68 81 TYR N 10.72497 0.11726 . . 69 84 ASP N 3.88829 0.01996 . . 70 85 GLN N 4.34910 0.02012 . . 71 86 LEU N 3.39302 0.01677 . . 72 89 GLU N 3.21964 0.01507 . . 73 90 THR N 3.06474 0.02223 . . 74 91 GLN N 3.35605 0.02059 . . 75 93 THR N 3.51400 0.02606 . . 76 94 VAL N 3.29108 0.01733 . . 77 96 ALA N 3.92907 0.02185 . . 78 100 LYS N 4.56270 0.02108 . . 79 101 ALA N 4.17647 0.02017 . . 80 105 VAL N 3.38876 0.01387 . . 81 114 PHE N 3.39530 0.01352 . . 82 115 GLU N 3.48627 0.01508 . . 83 117 ILE N 3.34429 0.01460 . . 84 118 ASP N 3.42066 0.01469 . . 85 120 ASP N 3.38836 0.01289 . . 86 121 ASP N 3.16362 0.01222 . . 87 126 GLU N 2.73879 0.00976 . . 88 127 VAL N 2.99637 0.01248 . . 89 128 GLU N 3.03959 0.01155 . . 90 134 GLU N 2.36588 0.00925 . . 91 135 ALA N 2.43699 0.00941 . . 92 138 PHE N 2.16790 0.00983 . . 93 140 GLU N 2.23222 0.00885 . . 94 151 GLU N 2.29092 0.01006 . . 95 152 ILE N 2.68526 0.01025 . . 96 153 GLU N 2.55836 0.00966 . . 97 155 ASP N 2.51140 0.00859 . . 98 156 ILE N 2.31945 0.00954 . . 99 157 ILE N 2.49182 0.01207 . . 100 158 ASP N 2.47717 0.01148 . . 101 163 ASP N 1.88161 0.00989 . . 102 164 TYR N 1.77870 0.00954 . . 103 166 ASP N 1.71576 0.00828 . . 104 169 GLU N 1.53998 0.00607 . . 105 172 LYS N 1.02174 0.00604 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D NOE 15N,1H correlation' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500.13 _Mol_system_component_name delta _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ILE 0.58496 0.13548 3 LYS 0.46518 0.02831 4 GLN 0.40891 0.04210 5 TYR 0.49391 0.07481 6 SER 0.38252 0.10665 7 GLN 0.53399 0.04963 8 GLU 0.66266 0.03260 9 GLU 0.49438 0.02950 10 LEU 0.50962 0.02753 11 LYS 0.63202 0.09209 12 GLU 0.50656 0.04985 13 MET 0.64800 0.02310 14 ALA 0.66068 0.03416 16 VAL 0.73588 0.05505 17 GLU 0.84955 0.01231 18 ILE 0.65487 0.04992 19 ALA 0.71162 0.04794 20 HIS 0.68301 0.07587 21 GLU 0.68990 0.08186 22 LEU 0.69031 0.13941 23 PHE 0.65777 0.02635 24 GLU 0.69305 0.04097 25 GLU 0.65666 0.07686 26 HIS 0.59845 0.06117 27 LYS 0.61932 0.11436 28 LYS 0.60206 0.02210 30 VAL 0.65529 0.03359 32 PHE 0.69969 0.02529 33 GLN 0.84091 0.02410 34 GLU 0.66803 0.05937 35 LEU 0.72987 0.10210 36 LEU 0.65834 0.02727 37 ASN 0.73968 0.03366 40 ALA 0.63249 0.02898 41 SER 0.74511 0.09088 42 LEU 0.67043 0.02628 44 GLY 0.63967 0.02514 45 VAL 0.67925 0.06059 46 LYS 0.60127 0.04753 47 LYS 0.59754 0.07053 48 GLU 0.60714 0.05745 49 GLU 0.65876 0.02949 50 LEU 0.50964 0.01932 51 GLY 0.52222 0.00444 52 ASP 0.43604 0.04927 53 ARG 0.50286 0.01612 54 ILE 0.64221 0.08267 56 GLN 0.75015 0.06094 57 PHE 0.62902 0.03977 58 TYR 0.69350 0.02466 60 ASP 0.69539 0.02477 62 ASN 0.71926 0.01794 63 ILE 0.59752 0.07054 64 ASP 0.50802 0.06652 66 ARG 0.78754 0.08812 67 PHE 0.68065 0.05049 68 LEU 0.73030 0.09726 69 ALA 0.69645 0.06436 71 SER 0.60429 0.06931 73 GLN 0.68772 0.01924 74 THR 0.70312 0.06435 75 TRP 0.82008 0.10500 76 GLY 0.69280 0.09221 79 SER 0.79692 0.04303 80 TRP 0.72358 0.02748 81 TYR 0.61690 0.03657 86 LEU -0.19227 0.00983 89 GLU -0.29372 0.00912 90 THR -0.35181 0.01874 91 GLN -0.38726 0.01157 93 THR -0.38326 0.00100 96 ALA -0.15061 0.01509 101 ALA 0.09967 0.01467 105 VAL -0.14966 0.01876 115 GLU -0.11933 0.00722 117 ILE -0.09721 0.01243 118 ASP -0.12755 0.00554 120 ASP -0.10122 0.01725 127 VAL -0.48869 0.01186 128 GLU -0.51343 0.00585 134 GLU -0.58675 0.00867 135 ALA -0.64444 0.01621 138 PHE -0.65314 0.01163 140 GLU -0.68773 0.00667 151 GLU -0.67657 0.02008 152 ILE -0.77982 0.02762 153 GLU -0.75157 0.01497 155 ASP -0.66170 0.02061 156 ILE -0.70951 0.01121 157 ILE -0.77816 0.02057 158 ASP -0.73019 0.01196 163 ASP -0.65667 0.01520 164 TYR -0.69317 0.00797 166 ASP -0.73269 0.01126 169 GLU -0.98591 0.01059 172 LYS -1.76650 0.01336 stop_ save_