data_19284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxation data of the delta subunit of RNA polymerase from Bacillus subtilis ; _BMRB_accession_number 19284 _BMRB_flat_file_name bmr19284.str _Entry_type original _Submission_date 2013-06-04 _Accession_date 2013-06-04 _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 Papouskova Veronika . . 2 Zidek Lukas . . 3 Kaderavek Pavel . . 4 Sanderova Hana . . 5 Krasny Libor . . 6 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 105 "T2 relaxation values" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16912 'Delta subunit of RNA polymerase from Bacillus subtilis' stop_ _Original_release_date 2013-10-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Study of the Partially Disordered Full-Length Subunit of RNA Polymerase from Bacillus subtilis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23868186 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Papoukova Veronika . . 2 Kadeavek Pavel . . 3 Otrusinova Olga . . 4 Rabatinova Albeta . . 5 Sanderova Hana . . 6 Novaek Jii . . 7 Krasny Libor . . 8 Sklena Vladimir . . 9 Zidek Luka . . stop_ _Journal_abbreviation Chembiochem _Journal_name_full 'Chembiochem : a European journal of chemical biology' _Journal_volume 14 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1772 _Page_last 1779 _Year 2013 _Details . loop_ _Keyword 'delta subunit' 'NMR spectroscopy' 'partially disordered proteins' 'protein structures' '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 . _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 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16635 N_delta 52.91 99 100.00 100.00 1.81e-58 BMRB 16912 delta 100.00 172 100.00 100.00 9.06e-109 BMRB 18903 delta 100.00 172 100.00 100.00 9.06e-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 1.81e-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 1.81e-58 PDB 4NC8 "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With Nickel Ions" 52.91 99 100.00 100.00 1.81e-58 DBJ BAM55799 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7613]" 100.00 173 100.00 100.00 6.40e-109 DBJ BAM59811 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7003]" 100.00 173 100.00 100.00 6.40e-109 EMBL CAA89869 "RNA polymerase delta subunit [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.40e-109 EMBL CAB15744 "RNA polymerase (delta subunit) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.40e-109 EMBL CCU60814 "DNA-directed RNA polymerase delta subunit [Bacillus subtilis E1]" 100.00 173 99.42 100.00 2.15e-108 EMBL CEI59524 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 100.00 173 100.00 100.00 6.40e-109 EMBL CEJ79381 "DNA-directed RNA polymerase subunit delta [Bacillus sp.]" 100.00 173 100.00 100.00 6.40e-109 GB AAA22710 "rpoE protein (ttg start codon) [Bacillus subtilis]" 100.00 173 100.00 100.00 6.40e-109 GB ADM39706 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. spizizenii str. W23]" 63.37 173 98.17 98.17 1.25e-59 GB ADV94526 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BSn5]" 100.00 173 98.84 100.00 3.37e-108 GB AEP92774 "hypothetical protein I33_3861 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 173 98.84 99.42 9.29e-108 GB AFI30331 "DNA-directed RNA polymerase subunit delta [Bacillus sp. JS]" 100.00 173 98.84 100.00 3.37e-108 REF NP_391597 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.40e-109 REF WP_003221959 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 63.37 173 98.17 98.17 1.25e-59 REF WP_003227609 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 99.42 100.00 2.15e-108 REF WP_003235832 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 63.37 173 99.08 99.08 1.45e-61 REF WP_003243661 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 100.00 100.00 6.40e-109 SP P12464 "RecName: Full=DNA-directed RNA polymerase subunit delta; AltName: Full=RNAP delta factor" 100.00 173 100.00 100.00 6.40e-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 Firmicutes 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 BL21-(DE3) pFL31 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 1.1 mM '[U-100% 15N]' D2O 10 % '[U-99% 2H]' 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 0.05 % '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 'chemical shift assignment' 'data analysis' stop_ _Details . 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_NOE_15N,1H_correlation_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOE 15N,1H correlation' _Sample_label $sample_1 save_ save_2D_R1_15N,1H_correlation_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R1 15N,1H correlation' _Sample_label $sample_1 save_ save_2D_R2_15N,1H_correlation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R2 15N,1H correlation' _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' 20 . mM pH 6.6 . pH pressure 1 . atm temperature 301 . 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 2 ILE N 1.42530 0.05477 2 3 LYS N 1.43863 0.01642 3 4 GLN N 1.47582 0.01762 4 5 TYR N 1.44358 0.01858 5 6 SER N 1.59456 0.03081 6 7 GLN N 1.59528 0.02009 7 8 GLU N 1.60512 0.00922 8 9 GLU N 1.55737 0.01275 9 10 LEU N 1.51319 0.01105 10 11 LYS N 1.53318 0.01836 11 12 GLU N 1.60358 0.01377 12 13 MET N 1.44067 0.01579 13 14 ALA N 1.50041 0.00983 14 16 VAL N 1.59534 0.01500 15 17 GLU N 1.53744 0.01799 16 18 ILE N 1.58272 0.02196 17 19 ALA N 1.67229 0.01630 18 20 HIS N 1.56330 0.02578 19 21 GLU N 1.51444 0.01530 20 22 LEU N 1.55063 0.01974 21 23 PHE N 1.62548 0.02746 22 24 GLU N 1.58363 0.01705 23 25 GLU N 1.53044 0.01985 24 26 HIS N 1.58214 0.02608 25 27 LYS N 1.61490 0.04688 26 28 LYS N 1.33918 0.01390 27 30 VAL N 1.60411 0.02440 28 32 PHE N 1.47422 0.01920 29 33 GLN N 1.45971 0.01247 30 34 GLU N 1.36078 0.01357 31 35 LEU N 1.49329 0.01347 32 36 LEU N 1.51389 0.01284 33 37 ASN N 1.41674 0.01192 34 38 GLU N 1.42440 0.00986 35 40 ALA N 1.49834 0.01197 36 41 SER N 1.36545 0.00839 37 42 LEU N 1.47101 0.01037 38 44 GLY N 1.36814 0.01471 39 45 VAL N 1.33938 0.01104 40 46 LYS N 1.36580 0.01043 41 47 LYS N 1.64267 0.01227 42 48 GLU N 1.67962 0.01083 43 49 GLU N 1.60634 0.01139 44 50 LEU N 1.60694 0.01274 45 51 GLY N 1.61448 0.00952 46 52 ASP N 1.47687 0.03607 47 53 ARG N 1.63652 0.01265 48 54 ILE N 1.43080 0.01302 49 56 GLN N 1.35889 0.01121 50 57 PHE N 1.43803 0.01304 51 58 TYR N 1.44416 0.01414 52 60 ASP N 1.41377 0.01251 53 62 ASN N 1.34234 0.02388 54 63 ILE N 1.24780 0.02874 55 64 ASP N 1.46355 0.03271 56 66 ARG N 1.46673 0.02524 57 67 PHE N 1.71115 0.02461 58 68 LEU N 1.47519 0.01726 59 69 ALA N 1.53170 0.01633 60 71 SER N 1.45987 0.03321 61 72 ASP N 1.59107 0.03206 62 73 GLN N 1.48871 0.02475 63 74 THR N 1.22024 0.01969 64 75 TRP N 1.46682 0.02356 65 76 GLY N 1.55757 0.02416 66 79 SER N 1.40933 0.01909 67 80 TRP N 1.58859 0.01534 68 81 TYR N 1.54105 0.01618 69 84 ASP N 1.47634 0.00588 70 85 GLN N 1.46835 0.00535 71 86 LEU N 1.43470 0.00511 72 89 GLU N 1.43481 0.00488 73 90 THR N 1.38443 0.00664 74 91 GLN N 1.38362 0.00651 75 93 THR N 1.37895 0.00749 76 94 VAL N 1.38695 0.00540 77 96 ALA N 1.46315 0.00668 78 100 LYS N 1.68195 0.00682 79 101 ALA N 1.64519 0.00664 80 105 VAL N 1.48438 0.00439 81 114 PHE N 1.55268 0.00442 82 115 GLU N 1.56767 0.00526 83 117 ILE N 1.50471 0.00472 84 118 ASP N 1.56632 0.00489 85 120 ASP N 1.54818 0.00432 86 121 ASP N 1.52272 0.00411 87 126 GLU N 1.37534 0.00333 88 127 VAL N 1.32153 0.00364 89 128 GLU N 1.35863 0.00369 90 134 GLU N 1.32794 0.00306 91 135 ALA N 1.23652 0.00294 92 138 PHE N 1.26217 0.00318 93 140 GLU N 1.26494 0.00286 94 151 GLU N 1.29827 0.00327 95 152 ILE N 1.22971 0.00299 96 153 GLU N 1.28766 0.00313 97 155 ASP N 1.27918 0.00278 98 156 ILE N 1.21288 0.00282 99 157 ILE N 1.26718 0.00358 100 158 ASP N 1.29446 0.00384 101 163 ASP N 1.33612 0.00337 102 164 TYR N 1.27387 0.00323 103 166 ASP N 1.30826 0.00284 104 169 GLU N 1.26450 0.00213 105 172 LYS N 0.94864 0.00183 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 2 ILE N 8.45160 0.30166 . . 2 3 LYS N 10.78835 0.10805 . . 3 4 GLN N 11.12748 0.12228 . . 4 5 TYR N 9.09519 0.10905 . . 5 6 SER N 9.00956 0.15756 . . 6 7 GLN N 9.78065 0.11629 . . 7 8 GLU N 9.32522 0.04845 . . 8 9 GLU N 9.12793 0.07258 . . 9 10 LEU N 9.35223 0.06187 . . 10 11 LYS N 11.23718 0.11732 . . 11 12 GLU N 9.10510 0.07233 . . 12 13 MET N 9.63251 0.09502 . . 13 14 ALA N 9.59264 0.05639 . . 14 16 VAL N 14.16852 0.12001 . . 15 17 GLU N 12.44221 0.12722 . . 16 18 ILE N 10.82105 0.13950 . . 17 19 ALA N 10.67352 0.09184 . . 18 20 HIS N 10.41448 0.15325 . . 19 21 GLU N 11.43324 0.10520 . . 20 22 LEU N 6.87579 0.08643 . . 21 23 PHE N 10.77651 0.16754 . . 22 24 GLU N 10.61656 0.10361 . . 23 25 GLU N 10.53542 0.12779 . . 24 26 HIS N 9.47800 0.13921 . . 25 27 LYS N 12.34904 0.33331 . . 26 28 LYS N 12.77032 0.11652 . . 27 30 VAL N 12.72958 0.17681 . . 28 32 PHE N 12.51045 0.14704 . . 29 33 GLN N 11.67439 0.09210 . . 30 34 GLU N 13.10607 0.11535 . . 31 35 LEU N 11.44168 0.10171 . . 32 36 LEU N 11.55448 0.08636 . . 33 37 ASN N 12.49751 0.09323 . . 34 38 GLU N 9.55092 0.06514 . . 35 40 ALA N 11.18291 0.08178 . . 36 41 SER N 12.32895 0.06742 . . 37 42 LEU N 11.72776 0.07716 . . 38 44 GLY N 11.76330 0.11368 . . 39 45 VAL N 11.60907 0.09309 . . 40 46 LYS N 9.97798 0.06683 . . 41 47 LYS N 9.36195 0.06413 . . 42 48 GLU N 9.51432 0.05646 . . 43 49 GLU N 9.59210 0.06165 . . 44 50 LEU N 9.43753 0.07035 . . 45 51 GLY N 7.72780 0.04554 . . 46 52 ASP N 9.00673 0.20668 . . 47 53 ARG N 9.63480 0.06887 . . 48 54 ILE N 12.39629 0.10329 . . 49 56 GLN N 13.35708 0.09531 . . 50 57 PHE N 12.40143 0.09913 . . 51 58 TYR N 12.99889 0.10969 . . 52 60 ASP N 13.33449 0.10441 . . 53 62 ASN N 21.55506 0.32900 . . 54 63 ILE N 18.86243 0.38098 . . 55 64 ASP N 9.36150 0.21051 . . 56 66 ARG N 12.59668 0.19313 . . 57 67 PHE N 10.62030 0.14157 . . 58 68 LEU N 10.93778 0.11293 . . 59 69 ALA N 9.57966 0.10113 . . 60 71 SER N 10.06416 0.20384 . . 61 72 ASP N 9.54870 0.17751 . . 62 73 GLN N 13.12466 0.19112 . . 63 74 THR N 12.79290 0.17382 . . 64 75 TRP N 10.55604 0.14529 . . 65 76 GLY N 10.15790 0.14259 . . 66 79 SER N 12.69619 0.15363 . . 67 80 TRP N 11.06915 0.09699 . . 68 81 TYR N 10.27878 0.10490 . . 69 84 ASP N 4.08590 0.02342 . . 70 85 GLN N 4.32749 0.02178 . . 71 86 LEU N 3.33845 0.01874 . . 72 89 GLU N 3.15425 0.01751 . . 73 90 THR N 3.17121 0.02487 . . 74 91 GLN N 3.37413 0.02485 . . 75 93 THR N 3.48766 0.02970 . . 76 94 VAL N 3.30489 0.02158 . . 77 96 ALA N 3.75828 0.02414 . . 78 100 LYS N 4.59895 0.02334 . . 79 101 ALA N 4.05442 0.02286 . . 80 105 VAL N 3.35060 0.01598 . . 81 114 PHE N 3.35430 0.01579 . . 82 115 GLU N 3.44651 0.01782 . . 83 117 ILE N 3.22982 0.01636 . . 84 118 ASP N 3.34869 0.01693 . . 85 120 ASP N 3.33157 0.01418 . . 86 121 ASP N 3.16354 0.01421 . . 87 126 GLU N 2.67267 0.01221 . . 88 127 VAL N 2.95242 0.01464 . . 89 128 GLU N 2.93953 0.01355 . . 90 134 GLU N 2.30284 0.01092 . . 91 135 ALA N 2.38873 0.01161 . . 92 138 PHE N 2.08387 0.01235 . . 93 140 GLU N 2.19976 0.01077 . . 94 151 GLU N 2.19739 0.01205 . . 95 152 ILE N 2.51198 0.01195 . . 96 153 GLU N 2.38118 0.01131 . . 97 155 ASP N 2.38440 0.01015 . . 98 156 ILE N 2.20536 0.01095 . . 99 157 ILE N 2.24128 0.01344 . . 100 158 ASP N 2.39158 0.01369 . . 101 163 ASP N 1.87153 0.01251 . . 102 164 TYR N 1.67596 0.01222 . . 103 166 ASP N 1.70457 0.01036 . . 104 169 GLU N 1.51611 0.00783 . . 105 172 LYS N 1.07272 0.00767 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D NOE 15N,1H correlation' 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 2 ILE 0.68977 0.15816 3 LYS 0.51546 0.00643 4 GLN 0.50044 0.07197 5 TYR 0.62779 0.05287 6 SER 0.63611 0.03308 7 GLN 0.76880 0.02545 8 GLU 0.66660 0.02293 9 GLU 0.63149 0.03095 10 LEU 0.60116 0.01830 11 LYS 0.70603 0.02149 12 GLU 0.58415 0.01941 13 MET 0.68523 0.04811 14 ALA 0.72010 0.01924 16 VAL 0.73324 0.02403 17 GLU 0.83985 0.03473 18 ILE 0.75894 0.02865 19 ALA 0.77072 0.00909 20 HIS 0.75061 0.02575 21 GLU 0.83047 0.03051 22 LEU 0.74654 0.17770 23 PHE 0.72968 0.00708 24 GLU 0.68415 0.01313 25 GLU 0.66280 0.02457 26 HIS 0.72298 0.06755 27 LYS 0.84171 0.04007 28 LYS 0.69827 0.01813 30 VAL 0.72425 0.03751 32 PHE 0.78693 0.02882 33 GLN 0.79805 0.01216 34 GLU 0.67544 0.01512 35 LEU 0.78881 0.03060 36 LEU 0.74181 0.04509 37 ASN 0.71539 0.02437 40 ALA 0.80142 0.05047 41 SER 0.72637 0.01361 42 LEU 0.67875 0.03825 44 GLY 0.67199 0.02127 45 VAL 0.71625 0.01091 46 LYS 0.61021 0.02319 47 LYS 0.66378 0.02283 48 GLU 0.67778 0.02247 49 GLU 0.70744 0.02919 50 LEU 0.63728 0.01042 51 GLY 0.55136 0.02195 52 ASP 0.47921 0.06380 53 ARG 0.58764 0.00796 54 ILE 0.67354 0.02932 56 GLN 0.66415 0.00636 57 PHE 0.71822 0.02810 58 TYR 0.74199 0.03503 60 ASP 0.74414 0.02446 62 ASN 0.76508 0.05961 63 ILE 0.75188 0.07014 64 ASP 0.55216 0.08550 66 ARG 0.78933 0.03165 67 PHE 0.87069 0.08793 68 LEU 0.78983 0.05666 69 ALA 0.69907 0.01616 71 SER 0.57995 0.03370 72 ASP 0.72070 0.02671 73 GLN 0.66631 0.04908 74 THR 0.67860 0.02834 75 TRP 0.87984 0.12077 76 GLY 0.79108 0.02064 79 SER 0.73692 0.05553 80 TRP 0.75725 0.02026 81 TYR 0.74202 0.00989 84 ASP 0.17947 0.00700 86 LEU -0.04303 0.00314 89 GLU -0.07710 0.02784 90 THR -0.17320 0.00592 91 GLN -0.22013 0.00502 93 THR -0.14788 0.01736 94 VAL -0.13812 0.00553 96 ALA 0.02890 0.00612 97 LYS 0.27646 0.03980 101 ALA 0.20688 0.00047 105 VAL 0.01002 0.00252 114 PHE 0.07394 0.01080 115 GLU 0.07345 0.01519 117 ILE 0.04781 0.01444 118 ASP 0.02628 0.01484 120 ASP 0.06577 0.01725 121 ASP 0.05100 0.01174 126 GLU -0.16924 0.00937 127 VAL -0.24021 0.00236 128 GLU -0.34037 0.01284 129 GLU -0.31494 0.01178 135 ALA -0.43691 0.00584 138 PHE -0.42343 0.00769 140 GLU -0.42138 0.00872 141 GLU -0.43657 0.00854 152 ILE -0.53211 0.00741 153 GLU -0.52455 0.00775 155 ASP -0.45493 0.00282 156 ILE -0.46218 0.00732 157 ILE -0.54678 0.01519 158 ASP -0.50483 0.01225 163 ASP -0.39164 0.01186 164 TYR -0.37959 0.01006 165 ASP -0.45535 0.00992 167 GLU -0.69620 0.00683 172 LYS -1.40559 0.01482 stop_ save_