data_27245 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 15N relaxation data for c-teminal domain of delta subunit of RNA polymerase from bacillus subtilis ; _BMRB_accession_number 27245 _BMRB_flat_file_name bmr27245.str _Entry_type original _Submission_date 2017-09-06 _Accession_date 2017-09-06 _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 Srb Pavel . . 2 Novacek Jiri . . 3 Kaderavek Pavel . . 4 Rabatinova Alzbeta . . 5 Krasny Libor . . 6 Zidkova Jitka . . 7 Bobalova Jeanette . . 8 Sklenar Vladimir . . 9 Zidek Lukas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count dipole_dipole_cross_correlations 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 144 "T2 relaxation values" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-18 update BMRB 'update entry citation' 2017-11-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16635 'chemical shifts for N-terminal of delta subunit of RNA polymerase from Bacillus subtilis' 16912 'chemical shifts for delta subunit of RNA polymerase from Bacillus subtilis' 18903 '15N NMR relaxation data for delta subunit of RNA polymerase from Bacillus subtilis' 19284 '15N NMR relaxation data for delta subunit of RNA polymerase from Bacillus subtilis' stop_ _Original_release_date 2017-09-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Triple resonance [Formula: see text] NMR relaxation experiments for studies of intrinsically disordered proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29071460 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Srb Pavel . . 2 Novacek Jiri . . 3 Kaderavek Pavel . . 4 Rabatinova Alzbeta . . 5 Krasny Libor . . 6 Zidkova Jitka . . 7 Bobalova Jeanette . . 8 Sklenar Vladimir . . 9 Zidek Lukas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 69 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 133 _Page_last 146 _Year 2017 _Details . 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 . _System_physical_state 'partially disordered' _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 available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MGIKQYSQEELKEMALVEIA HELFEEHKKPVPFQELLNEI ASLLGVKKEELGDRIAQFYT DLNIDGRFLALSDQTWGLRS WYPYDQLDEETQPTVKAKKK KAKKAVEEDLDLDEFEEIDE DDLDLDEVEEELDLEADDFD EEDLDEDDDDLEIEEDIIDE DDEDYDDEEEEIK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ILE 4 LYS 5 GLN 6 TYR 7 SER 8 GLN 9 GLU 10 GLU 11 LEU 12 LYS 13 GLU 14 MET 15 ALA 16 LEU 17 VAL 18 GLU 19 ILE 20 ALA 21 HIS 22 GLU 23 LEU 24 PHE 25 GLU 26 GLU 27 HIS 28 LYS 29 LYS 30 PRO 31 VAL 32 PRO 33 PHE 34 GLN 35 GLU 36 LEU 37 LEU 38 ASN 39 GLU 40 ILE 41 ALA 42 SER 43 LEU 44 LEU 45 GLY 46 VAL 47 LYS 48 LYS 49 GLU 50 GLU 51 LEU 52 GLY 53 ASP 54 ARG 55 ILE 56 ALA 57 GLN 58 PHE 59 TYR 60 THR 61 ASP 62 LEU 63 ASN 64 ILE 65 ASP 66 GLY 67 ARG 68 PHE 69 LEU 70 ALA 71 LEU 72 SER 73 ASP 74 GLN 75 THR 76 TRP 77 GLY 78 LEU 79 ARG 80 SER 81 TRP 82 TYR 83 PRO 84 TYR 85 ASP 86 GLN 87 LEU 88 ASP 89 GLU 90 GLU 91 THR 92 GLN 93 PRO 94 THR 95 VAL 96 LYS 97 ALA 98 LYS 99 LYS 100 LYS 101 LYS 102 ALA 103 LYS 104 LYS 105 ALA 106 VAL 107 GLU 108 GLU 109 ASP 110 LEU 111 ASP 112 LEU 113 ASP 114 GLU 115 PHE 116 GLU 117 GLU 118 ILE 119 ASP 120 GLU 121 ASP 122 ASP 123 LEU 124 ASP 125 LEU 126 ASP 127 GLU 128 VAL 129 GLU 130 GLU 131 GLU 132 LEU 133 ASP 134 LEU 135 GLU 136 ALA 137 ASP 138 ASP 139 PHE 140 ASP 141 GLU 142 GLU 143 ASP 144 LEU 145 ASP 146 GLU 147 ASP 148 ASP 149 ASP 150 ASP 151 LEU 152 GLU 153 ILE 154 GLU 155 GLU 156 ASP 157 ILE 158 ILE 159 ASP 160 GLU 161 ASP 162 ASP 163 GLU 164 ASP 165 TYR 166 ASP 167 ASP 168 GLU 169 GLU 170 GLU 171 GLU 172 ILE 173 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 _Vector_name $delta 'recombinant technology' . Escherichia coli . 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 0.8 mM '[U-100% 13C; 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_cleaner3D _Saveframe_category software _Name cleaner3D _Version . loop_ _Vendor _Address _Electronic_address 'Jan Stanek' . janstanek@chem.uw.edu.pl 'Viktor Kozminski' . . stop_ loop_ _Task processing stop_ _Details 'rev 1042' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NUS_HNCO_R1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO R1' _Sample_label $sample_1 save_ save_3D_NUS_HNCO_R2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO R2' _Sample_label $sample_1 save_ save_3D_NUS_HNCO_Heteronuclear_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO Heteronuclear NOE' _Sample_label $sample_1 save_ save_3D_NUS_HNCO_longitudinal_cross-correlated_cross-relaxation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO longitudinal cross-correlated cross-relaxation' _Sample_label $sample_1 save_ save_3D_NUS_HNCO_transverse_cross-correlated_cross-relaxation_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO transverse cross-correlated cross-relaxation' _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 6.0 . pH pressure 1 . atm temperature 300 . 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 600 _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 3 ILE N 1.4935 0.0674 2 4 LYS N 1.4001 0.0139 3 5 GLN N 1.4498 0.013 4 6 TYR N 1.4781 0.0134 5 7 SER N 1.5576 0.0273 6 8 GLN N 1.6042 0.0102 7 9 GLU N 1.5468 0.02 8 10 GLU N 1.5626 0.0261 9 11 LEU N 1.5721 0.0179 10 12 LYS N 1.5012 0.0209 11 13 GLU N 1.594 0.0171 12 14 MET N 1.4529 0.0127 13 15 ALA N 1.5014 0.0096 14 16 LEU N 1.6405 0.0425 15 17 VAL N 1.5866 0.041 16 18 GLU N 1.5144 0.03 17 19 ILE N 1.6328 0.0468 18 20 ALA N 1.6262 0.0097 19 21 HIS N 1.5742 0.026 20 23 LEU N 1.6695 0.0202 21 24 PHE N 1.688 0.0506 22 25 GLU N 1.5174 0.0442 23 26 GLU N 1.5377 0.0194 24 27 HIS N 1.6121 0.0361 25 29 LYS N 1.3402 0.0197 26 31 VAL N 1.6709 0.0617 27 33 PHE N 1.4027 0.038 28 34 GLN N 1.4704 0.0237 29 35 GLU N 1.2805 0.026 30 36 LEU N 1.4906 0.038 31 37 LEU N 1.5027 0.0225 32 38 ASN N 1.3747 0.0195 33 39 GLU N 1.4209 0.0397 34 40 ILE N 1.4769 0.0283 35 41 ALA N 1.4893 0.0133 36 42 SER N 1.3807 0.0281 37 43 LEU N 1.4651 0.0199 38 44 LEU N 1.4917 0.0248 39 45 GLY N 1.3179 0.026 40 46 VAL N 1.2945 0.0275 41 47 LYS N 1.3729 0.0131 42 48 LYS N 1.6154 0.0218 43 49 GLU N 1.6141 0.0166 44 50 GLU N 1.6213 0.0216 45 51 LEU N 1.547 0.0232 46 52 GLY N 1.618 0.029 47 53 ASP N 1.6613 0.0572 48 54 ARG N 1.6216 0.0301 49 55 ILE N 1.4594 0.0096 50 56 ALA N 1.331 0.02 51 57 GLN N 1.322 0.0249 52 58 PHE N 1.4854 0.0343 53 59 TYR N 1.3777 0.0314 54 60 THR N 1.3209 0.0323 55 61 ASP N 1.3275 0.0238 56 62 LEU N 1.5395 0.0517 57 67 ARG N 1.3832 0.1105 58 68 PHE N 1.6539 0.0175 59 69 LEU N 1.5871 0.0321 60 70 ALA N 1.5464 0.0164 61 71 LEU N 1.2752 0.0374 62 72 SER N 1.4255 0.0445 63 73 ASP N 1.6483 0.0474 64 74 GLN N 1.3904 0.014 65 75 THR N 1.1711 0.0366 66 76 TRP N 1.2285 0.1478 67 77 GLY N 1.5847 0.0217 68 79 ARG N 1.4489 0.0532 69 80 SER N 1.398 0.0475 70 81 TRP N 1.5681 0.0245 71 82 TYR N 1.5298 0.026 72 84 TYR N 1.544 0.0094 73 85 ASP N 1.5552 0.0091 74 86 GLN N 1.4913 0.0099 75 87 LEU N 1.4913 0.0058 76 88 ASP N 1.4733 0.0037 77 90 GLU N 1.4798 0.005 78 91 THR N 1.4235 0.0091 79 92 GLN N 1.4299 0.0099 80 94 THR N 1.4105 0.017 81 95 VAL N 1.4272 0.0069 82 96 LYS N 1.4841 0.0063 83 97 ALA N 1.5137 0.0146 84 98 LYS N 1.528 0.0137 85 99 LYS N 1.6562 0.0153 86 102 ALA N 1.6895 0.0136 87 103 LYS N 1.6085 0.014 88 104 LYS N 1.6424 0.0123 89 105 ALA N 1.6185 0.0162 90 106 VAL N 1.5068 0.0044 91 108 GLU N 1.5844 0.0046 92 110 LEU N 1.5621 0.0069 93 111 ASP N 1.6177 0.0043 94 113 ASP N 1.5427 0.002 95 114 GLU N 1.6056 0.0033 96 115 PHE N 1.6152 0.0056 97 116 GLU N 1.6451 0.0073 98 117 GLU N 1.6092 0.0087 99 118 ILE N 1.5735 0.0076 100 119 ASP N 1.6412 0.0086 101 120 GLU N 1.5619 0.003 102 121 ASP N 1.6232 0.0035 103 122 ASP N 1.5931 0.0032 104 123 LEU N 1.5654 0.0029 105 124 ASP N 1.5868 0.0064 106 125 LEU N 1.4948 0.005 107 127 GLU N 1.4576 0.0032 108 128 VAL N 1.4063 0.0045 109 129 GLU N 1.4254 0.0038 110 131 GLU N 1.4146 0.0037 111 133 ASP N 1.3944 0.0056 112 134 LEU N 1.3306 0.0024 113 135 GLU N 1.3934 0.0024 114 136 ALA N 1.3095 0.004 115 137 ASP N 1.2866 0.0025 116 138 ASP N 1.3517 0.0037 117 139 PHE N 1.3515 0.005 118 140 ASP N 1.4176 0.0059 119 141 GLU N 1.3789 0.007 120 142 GLU N 1.4167 0.0024 121 143 ASP N 1.4104 0.0089 122 144 LEU N 1.3361 0.003 123 145 ASP N 1.4186 0.0037 124 147 ASP N 1.413 0.0072 125 148 ASP N 1.3876 0.0073 126 149 ASP N 1.4302 0.0073 127 152 GLU N 1.3605 0.0028 128 153 ILE N 1.2865 0.0048 129 154 GLU N 1.3512 0.0035 130 155 GLU N 1.3012 0.0033 131 156 ASP N 1.3248 0.0016 132 157 ILE N 1.2966 0.0044 133 158 ILE N 1.3483 0.0023 134 159 ASP N 1.3723 0.0022 135 160 GLU N 1.348 0.0054 136 161 ASP N 1.4267 0.004 137 163 GLU N 1.4307 0.0028 138 164 ASP N 1.3862 0.0029 139 165 TYR N 1.3921 0.003 140 166 ASP N 1.4921 0.0026 141 167 ASP N 1.4247 0.0034 142 169 GLU N 1.399 0.0036 143 170 GLU N 1.3154 0.003 144 173 LYS N 0.9955 0.002 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 600 _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 3 ILE N 8.5762 0.2006 . . 2 4 LYS N 12.2804 0.1780 . . 3 5 GLN N 11.6841 0.1734 . . 4 6 TYR N 9.9132 0.1215 . . 5 7 SER N 9.8220 0.0895 . . 6 8 GLN N 10.8731 0.2052 . . 7 9 GLU N 9.9184 0.1306 . . 8 10 GLU N 10.0959 0.1767 . . 9 11 LEU N 11.0038 0.2166 . . 10 12 LYS N 11.5879 0.2376 . . 11 13 GLU N 9.8910 0.0993 . . 12 14 MET N 10.7543 0.1703 . . 13 15 ALA N 10.7104 0.2072 . . 14 16 LEU N 11.8402 0.4480 . . 15 17 VAL N 15.5171 1.7342 . . 16 18 GLU N 13.9403 0.6150 . . 17 19 ILE N 12.1061 0.4320 . . 18 20 ALA N 11.4172 0.2474 . . 19 21 HIS N 11.6638 0.5179 . . 20 23 LEU N 11.4317 0.2722 . . 21 24 PHE N 12.0051 0.3870 . . 22 25 GLU N 12.4020 0.3093 . . 23 26 GLU N 11.7035 0.1108 . . 24 27 HIS N 10.7516 0.5104 . . 25 29 LYS N 14.6600 0.5273 . . 26 31 VAL N 13.5989 0.5025 . . 27 33 PHE N 14.0103 0.8429 . . 28 34 GLN N 12.7370 0.2633 . . 29 35 GLU N 13.9521 0.5009 . . 30 36 LEU N 13.0736 0.5877 . . 31 37 LEU N 12.4058 0.2538 . . 32 38 ASN N 13.5400 0.3208 . . 33 39 GLU N 13.6604 0.5162 . . 34 40 ILE N 12.7241 0.4389 . . 35 41 ALA N 12.9478 0.2204 . . 36 42 SER N 13.1849 0.3307 . . 37 43 LEU N 13.3187 0.2286 . . 38 44 LEU N 11.7434 0.3733 . . 39 45 GLY N 13.0066 0.3862 . . 40 46 VAL N 13.9576 0.1618 . . 41 47 LYS N 11.0204 0.2656 . . 42 48 LYS N 9.9196 0.1520 . . 43 49 GLU N 10.7191 0.1504 . . 44 50 GLU N 10.7166 0.0714 . . 45 51 LEU N 10.5722 0.1256 . . 46 52 GLY N 8.2464 0.2005 . . 47 53 ASP N 9.8292 0.2160 . . 48 54 ARG N 10.4608 0.0904 . . 49 55 ILE N 13.4252 0.1064 . . 50 56 ALA N 14.2716 0.3067 . . 51 57 GLN N 13.9274 0.3919 . . 52 58 PHE N 13.6572 0.5834 . . 53 59 TYR N 14.4312 0.4316 . . 54 60 THR N 15.1149 0.8506 . . 55 61 ASP N 15.5181 0.6375 . . 56 62 LEU N 13.5579 1.0481 . . 57 67 ARG N 13.2384 0.7916 . . 58 68 PHE N 12.2856 0.5524 . . 59 69 LEU N 12.6385 0.6697 . . 60 70 ALA N 10.9046 0.3303 . . 61 71 LEU N 14.2064 0.6174 . . 62 72 SER N 10.9409 0.4245 . . 63 73 ASP N 11.5013 0.2219 . . 64 74 GLN N 15.2573 1.7807 . . 65 75 THR N 14.1790 0.6222 . . 66 76 TRP N 15.6621 1.7164 . . 67 77 GLY N 10.5968 1.0706 . . 68 79 ARG N 12.8770 0.5414 . . 69 80 SER N 14.4242 0.7316 . . 70 81 TRP N 12.1833 0.2094 . . 71 82 TYR N 11.6648 0.2665 . . 72 84 TYR N 6.6131 0.0558 . . 73 85 ASP N 5.6787 0.0519 . . 74 86 GLN N 4.7553 0.0663 . . 75 87 LEU N 3.9457 0.0643 . . 76 88 ASP N 3.8967 0.0623 . . 77 90 GLU N 3.9354 0.0384 . . 78 91 THR N 3.5010 0.0656 . . 79 92 GLN N 3.8055 0.0610 . . 80 94 THR N 3.9081 0.0571 . . 81 95 VAL N 3.8206 0.0704 . . 82 96 LYS N 4.5258 0.0572 . . 83 97 ALA N 4.3904 0.0668 . . 84 98 LYS N 4.7438 0.0457 . . 85 99 LYS N 5.0313 0.0712 . . 86 102 ALA N 4.6342 0.0974 . . 87 103 LYS N 4.0951 0.0411 . . 88 104 LYS N 4.3852 0.0534 . . 89 105 ALA N 3.6850 0.0707 . . 90 106 VAL N 3.7427 0.0397 . . 91 108 GLU N 3.4979 0.0466 . . 92 110 LEU N 3.3716 0.0875 . . 93 111 ASP N 3.4465 0.0422 . . 94 113 ASP N 3.6142 0.0553 . . 95 114 GLU N 3.8551 0.0352 . . 96 115 PHE N 3.6440 0.0497 . . 97 116 GLU N 3.9055 0.0819 . . 98 117 GLU N 3.8615 0.0580 . . 99 118 ILE N 3.7422 0.0574 . . 100 119 ASP N 4.0080 0.0858 . . 101 120 GLU N 3.6819 0.0504 . . 102 121 ASP N 3.8102 0.0461 . . 103 122 ASP N 3.9674 0.0443 . . 104 123 LEU N 3.5218 0.0754 . . 105 124 ASP N 3.8088 0.0406 . . 106 125 LEU N 3.4567 0.0565 . . 107 127 GLU N 3.1891 0.0410 . . 108 128 VAL N 3.3440 0.0467 . . 109 129 GLU N 3.7477 0.0765 . . 110 131 GLU N 3.4419 0.0660 . . 111 133 ASP N 3.2571 0.0608 . . 112 134 LEU N 2.6507 0.0611 . . 113 135 GLU N 2.7781 0.0521 . . 114 136 ALA N 2.7669 0.0641 . . 115 137 ASP N 2.6219 0.0533 . . 116 138 ASP N 2.7874 0.0388 . . 117 139 PHE N 2.7112 0.0423 . . 118 140 ASP N 2.9502 0.0635 . . 119 141 GLU N 2.8981 0.0721 . . 120 142 GLU N 2.9567 0.0695 . . 121 143 ASP N 3.2865 0.0347 . . 122 144 LEU N 2.8617 0.0536 . . 123 145 ASP N 2.8719 0.0563 . . 124 147 ASP N 2.9051 0.0516 . . 125 148 ASP N 2.9357 0.0541 . . 126 149 ASP N 2.7847 0.0415 . . 127 152 GLU N 2.9501 0.0610 . . 128 153 ILE N 2.8305 0.0490 . . 129 154 GLU N 2.8025 0.0722 . . 130 155 GLU N 2.8137 0.0530 . . 131 156 ASP N 2.9198 0.0769 . . 132 157 ILE N 2.7462 0.0540 . . 133 158 ILE N 2.8507 0.0687 . . 134 159 ASP N 2.9524 0.0699 . . 135 160 GLU N 2.4766 0.0568 . . 136 161 ASP N 2.6844 0.0553 . . 137 163 GLU N 2.3239 0.0431 . . 138 164 ASP N 2.8250 0.0565 . . 139 165 TYR N 2.6605 0.0497 . . 140 166 ASP N 2.6054 0.0463 . . 141 167 ASP N 2.2538 0.0553 . . 142 169 GLU N 2.2436 0.0547 . . 143 170 GLU N 1.7029 0.0651 . . 144 173 LYS N 1.2430 0.1035 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '3D NUS HNCO Heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _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 3 ILE 0.3785 0.06 4 LYS 0.4706 0.0108 5 GLN 0.5335 0.0203 6 TYR 0.5992 0.0189 7 SER 0.6921 0.0822 8 GLN 0.6656 0.0245 9 GLU 0.6246 0.0058 10 GLU 0.7035 0.0043 11 LEU 0.6605 0.0379 12 LYS 0.7097 0.0241 13 GLU 0.7378 0.0164 14 MET 0.6791 0.0145 15 ALA 0.7214 0.012 16 LEU 0.8396 0.0693 17 VAL 0.704 0.0073 18 GLU 0.7258 0.0086 19 ILE 0.7692 0.0261 20 ALA 0.8121 0.0051 21 HIS 0.764 0.0588 23 LEU 0.6754 0.0692 24 PHE 0.7543 0.0072 25 GLU 0.8241 0.1472 26 GLU 0.7085 0.0022 27 HIS 0.776 0.0133 29 LYS 0.7338 0.0113 31 VAL 0.7942 0.1171 33 PHE 0.9582 0.115 34 GLN 0.9296 0.0206 35 GLU 0.8771 0.1032 36 LEU 0.9227 0.0109 37 LEU 0.7978 0.0531 38 ASN 0.7519 0.0467 39 GLU 0.7813 0.0245 40 ILE 0.5509 0.0202 41 ALA 0.8863 0.0062 42 SER 0.8945 0.0218 43 LEU 0.7709 0.0995 44 LEU 0.7982 0.0702 45 GLY 0.6981 0.0876 46 VAL 0.6712 0.0122 47 LYS 0.6956 0.0443 48 LYS 0.6802 0.0314 49 GLU 0.7595 0.1267 50 GLU 0.6347 0.0117 51 LEU 0.6586 0.0303 52 GLY 0.6204 0.0574 53 ASP 0.5336 0.0573 54 ARG 0.6965 0.0419 55 ILE 0.7194 0.0803 56 ALA 0.8057 0.0321 57 GLN 0.8824 0.131 58 PHE 0.7176 0.0537 59 TYR 0.6743 0.0676 60 THR 0.7524 0.0054 61 ASP 0.7933 0.0661 62 LEU 0.7771 0.1032 67 ARG 0.9675 0.0682 68 PHE 0.9282 0.1319 69 LEU 0.6497 0.0586 70 ALA 0.7042 0.0095 71 LEU 0.7275 0.0421 72 SER 0.9237 0.0312 73 ASP 0.7806 0.0931 74 GLN 0.5701 0.0577 75 THR 0.6141 0.0164 76 TRP 0.7507 0.0345 77 GLY 0.7861 0.0149 79 ARG 0.7117 0.0584 80 SER 0.9739 0.0461 81 TRP 0.8659 0.0495 82 TYR 0.7795 0.0532 84 TYR 0.4128 0.002 85 ASP 0.3155 0.0035 86 GLN 0.1745 0.0134 87 LEU 0.0736 0.0017 88 ASP 0.0226 0.0016 90 GLU -0.0387 0.0033 91 THR -0.1013 0.0257 92 GLN -0.1366 0.0098 94 THR -0.0905 0.0109 95 VAL -0.0461 0.0236 96 LYS -0.0657 0.0125 97 ALA 0.0791 1e-04 98 LYS 0.1126 0.0047 99 LYS 0.2436 1e-04 102 ALA 0.2621 6e-04 103 LYS 0.1627 0.0192 104 LYS 0.1576 0.0078 105 ALA 0.1046 0.0037 106 VAL 0.0581 0.0085 108 GLU 0.064 0.0128 110 LEU 0.0642 0.0083 111 ASP 0.0479 0.0227 113 ASP 0.0694 0.0111 114 GLU 0.0983 0.0045 115 PHE 0.1172 0.0159 116 GLU 0.1102 0.0268 117 GLU 0.0905 0.0211 118 ILE 0.1129 0.0142 119 ASP 0.1515 0.0037 120 GLU 0.0968 0.0171 121 ASP 0.1311 1e-04 122 ASP 0.1247 0.0026 123 LEU 0.0251 0.0023 124 ASP 0.0672 0.0013 125 LEU 0.003 1e-04 127 GLU -0.0615 0.0143 128 VAL -0.1716 0.0271 129 GLU -0.2006 0.0065 131 GLU -0.1948 0.0142 133 ASP -0.2241 0.002 134 LEU -0.3064 0.0042 135 GLU -0.2613 0.0027 136 ALA -0.3594 0.0072 137 ASP -0.3402 0.004 138 ASP -0.3265 0.0203 139 PHE -0.3153 0.0049 140 ASP -0.3429 0.0053 141 GLU -0.3063 0.0076 142 GLU -0.261 0.0067 143 ASP -0.2975 0.0085 144 LEU -0.329 0.0089 145 ASP -0.2648 0.0078 147 ASP -0.2634 0.0039 148 ASP -0.2936 0.0188 149 ASP -0.2459 0.0018 152 GLU -0.386 0.0061 153 ILE -0.4396 0.0137 154 GLU -0.4333 0.002 155 GLU -0.38 0.0034 156 ASP -0.359 0.0059 157 ILE -0.3572 0.0049 158 ILE -0.4621 0.0107 159 ASP -0.3543 0.0059 160 GLU -0.3332 0.0066 161 ASP -0.2518 2e-04 163 GLU -0.3081 0.0039 164 ASP -0.2617 0.0087 165 TYR -0.3014 0.0142 166 ASP -0.2554 0.0151 167 ASP -0.3043 0.0081 169 GLU -0.455 0.0044 170 GLU -0.7047 0.0023 173 LYS -1.5439 0.0085 stop_ save_