data_15255 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DtxR SH3 ; _BMRB_accession_number 15255 _BMRB_flat_file_name bmr15255.str _Entry_type original _Submission_date 2007-05-18 _Accession_date 2007-05-18 _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 Bhattacharya Nilakshee . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 150 "T2 relaxation values" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15254 PrSH3 stop_ _Original_release_date 2008-02-20 save_ ############################# # Citation for this entry # ############################# save_DtxR_SH3 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone dynamics in an intramolecular prolylpeptide-SH3 complex from the diphtheria toxin repressor, DtxR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17976643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Nilakshee . . 2 Yi M. . . 3 Zhou H. X. . 4 Logan T. M. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 374 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 977 _Page_last 992 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SH3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $SH3 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_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SH3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GSHMDAAAPGTRVIDAATSM PRKVRIVQINEIFQVETDQF TQLLDADIRVGSEVEIVDRD GHITLSHNGKDVELLDDLAH TIRIEEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 140 GLY 2 141 SER 3 142 HIS 4 143 MET 5 144 ASP 6 145 ALA 7 146 ALA 8 147 ALA 9 148 PRO 10 149 GLY 11 150 THR 12 151 ARG 13 152 VAL 14 153 ILE 15 154 ASP 16 155 ALA 17 156 ALA 18 157 THR 19 158 SER 20 159 MET 21 160 PRO 22 161 ARG 23 162 LYS 24 163 VAL 25 164 ARG 26 165 ILE 27 166 VAL 28 167 GLN 29 168 ILE 30 169 ASN 31 170 GLU 32 171 ILE 33 172 PHE 34 173 GLN 35 174 VAL 36 175 GLU 37 176 THR 38 177 ASP 39 178 GLN 40 179 PHE 41 180 THR 42 181 GLN 43 182 LEU 44 183 LEU 45 184 ASP 46 185 ALA 47 186 ASP 48 187 ILE 49 188 ARG 50 189 VAL 51 190 GLY 52 191 SER 53 192 GLU 54 193 VAL 55 194 GLU 56 195 ILE 57 196 VAL 58 197 ASP 59 198 ARG 60 199 ASP 61 200 GLY 62 201 HIS 63 202 ILE 64 203 THR 65 204 LEU 66 205 SER 67 206 HIS 68 207 ASN 69 208 GLY 70 209 LYS 71 210 ASP 72 211 VAL 73 212 GLU 74 213 LEU 75 214 LEU 76 215 ASP 77 216 ASP 78 217 LEU 79 218 ALA 80 219 HIS 81 220 THR 82 221 ILE 83 222 ARG 84 223 ILE 85 224 GLU 86 225 GLU 87 226 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 15254 PrSH3 95.40 121 100.00 100.00 1.21e-49 BMRB 4183 "DtxR subunit 3, C-terminal domain" 95.40 109 100.00 100.00 1.20e-49 PDB 1BI0 "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" 95.40 226 100.00 100.00 8.23e-49 PDB 1BI1 "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" 95.40 226 100.00 100.00 8.23e-49 PDB 1BI2 "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" 95.40 226 100.00 100.00 8.23e-49 PDB 1BI3 "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" 95.40 226 100.00 100.00 8.23e-49 PDB 1BYM "Solution Structures Of The C-Terminal Domain Of Diphtheria Toxin Repressor" 95.40 97 100.00 100.00 7.13e-50 PDB 1C0W "Crystal Structure Of The Cobalt-Activated Diphtheria Toxin Repressor-Dna Complex Reveals A Metal Binding Sh-Like Domain" 95.40 225 100.00 100.00 8.36e-49 PDB 1DDN "Diphtheria Tox Repressor (C102d Mutant)TOX DNA OPERATOR Complex" 95.40 226 100.00 100.00 8.50e-49 PDB 1DPR "Structures Of The Apo-And Metal Ion Activated Forms Of The Diphtheria Tox Repressor From Corynebacterium Diphtheriae" 95.40 226 100.00 100.00 8.23e-49 PDB 1FWZ "Glu20ala Dtxr" 95.40 226 100.00 100.00 7.39e-49 PDB 1G3S "Cys102ser Dtxr" 95.40 226 100.00 100.00 7.47e-49 PDB 1G3T "Cys102ser Dtxr" 95.40 226 100.00 100.00 7.47e-49 PDB 1G3W "Cd-Cys102ser Dtxr" 95.40 226 100.00 100.00 7.47e-49 PDB 1G3Y "Arg80ala Dtxr" 95.40 226 100.00 100.00 7.80e-49 PDB 1P92 "Crystal Structure Of (H79a)dtxr" 95.40 226 100.00 100.00 5.83e-49 PDB 1QVP "C Terminal Sh3-Like Domain From Diphtheria Toxin Repressor Residues 144-226" 100.00 87 100.00 100.00 9.16e-54 PDB 1QW1 "Solution Structure Of The C-Terminal Domain Of Dtxr Residues 110-226" 95.40 121 100.00 100.00 1.21e-49 PDB 2DTR "Structure Of Diphtheria Toxin Repressor" 95.40 226 100.00 100.00 8.23e-49 PDB 2QQ9 "Crystal Structure Of Dtxr(D6a C102d) Complexed With Nickel(Ii)" 95.40 226 100.00 100.00 6.63e-49 PDB 2QQA "Crystal Structure Of Dtxr(E9a C102d) Complexed With Nickel(Ii)" 95.40 226 100.00 100.00 9.17e-49 PDB 2QQB "Crystal Structure Of Dtxr(m10a C102d) Complexed With Nickel(ii)" 95.40 226 100.00 100.00 9.68e-49 PDB 2TDX "Diphtheria Tox Repressor (C102d Mutant) Complexed With Nickel" 95.40 226 100.00 100.00 8.50e-49 PDB 3GLX "Crystal Structure Analysis Of The Dtxr(E175k) Complexed With Ni(Ii)" 95.40 226 97.59 98.80 1.45e-47 EMBL CAE49945 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 97.59 98.80 1.10e-47 EMBL CCG27916 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 94.25 235 98.78 100.00 1.74e-47 EMBL CCG27917 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.23e-49 EMBL CCG27918 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.23e-49 EMBL CCG27919 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.23e-49 GB AAA23296 "toxin repressor protein (dtxR) [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.23e-49 GB AAA23299 "diphtheria toxin repressor [Corynebacterium diphtheriae PW8]" 95.40 226 100.00 100.00 8.23e-49 GB AAA23301 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.50e-49 GB AAU93781 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 97.59 97.59 9.10e-47 GB AAU93782 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 98.80 100.00 1.63e-48 REF WP_003851803 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 100.00 100.00 8.23e-49 REF WP_010935052 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 97.59 98.80 1.10e-47 REF WP_014316797 "diphtheria toxin repressor [Corynebacterium diphtheriae]" 95.40 226 98.80 100.00 3.07e-48 REF WP_014320173 "dihydrofolate reductase [Corynebacterium diphtheriae]" 95.40 226 98.80 98.80 7.69e-48 SP H2I233 "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" 95.40 226 100.00 100.00 8.23e-49 SP P0DJL7 "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" 95.40 226 97.59 98.80 1.10e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH3 'Corynebacterium diphtheriae' 1717 Bacteria . Corynebacterium diphtheriae 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 $SH3 'recombinant technology' . Escherichia coli . pET-15b 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 $SH3 0.8 mM [U-15N] 'K Phos' 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 720 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_T1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T1_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T2_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_15N_T2_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_Het_NOE_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Het NOE' _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' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . 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 Nz _T1_value_units s _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 ALA N 0.509 0.020 2 8 ALA N 0.502 0.016 3 10 GLY N 0.470 0.007 4 11 THR N 0.455 0.006 5 12 ARG N 0.434 0.008 6 13 VAL N 0.452 0.007 7 14 ILE N 0.459 0.009 8 15 ASP N 0.458 0.005 9 16 ALA N 0.482 0.006 10 18 THR N 0.429 0.006 11 19 SER N 0.390 0.011 12 20 MET N 0.428 0.007 13 22 ARG N 0.450 0.006 14 23 LYS N 0.470 0.005 15 24 VAL N 0.487 0.008 16 25 ARG N 0.465 0.006 17 26 ILE N 0.462 0.006 18 27 VAL N 0.453 0.006 19 29 ILE N 0.464 0.007 20 30 ASN N 0.516 0.025 21 31 GLU N 0.438 0.011 22 32 ILE N 0.487 0.009 23 33 PHE N 0.450 0.007 24 34 GLN N 0.413 0.008 25 35 VAL N 0.492 0.009 26 36 GLU N 0.449 0.007 27 37 THR N 0.455 0.008 28 38 ASP N 0.452 0.013 29 39 GLN N 0.410 0.005 30 40 PHE N 0.427 0.007 31 41 THR N 0.390 0.006 32 42 GLN N 0.408 0.006 33 43 LEU N 0.473 0.008 34 44 LEU N 0.477 0.006 35 45 ASP N 0.460 0.006 36 46 ALA N 0.475 0.005 37 47 ASP N 0.440 0.007 38 48 ILE N 0.486 0.007 39 49 ARG N 0.463 0.006 40 50 VAL N 0.476 0.005 41 51 GLY N 0.459 0.005 42 52 SER N 0.439 0.005 43 53 GLU N 0.472 0.006 44 54 VAL N 0.502 0.006 45 55 GLU N 0.472 0.006 46 56 ILE N 0.467 0.005 47 57 VAL N 0.464 0.007 48 58 ASP N 0.450 0.007 49 59 ARG N 0.501 0.010 50 60 ASP N 0.397 0.010 51 61 GLY N 0.476 0.004 52 62 HIS N 0.508 0.007 53 63 ILE N 0.497 0.007 54 64 THR N 0.458 0.007 55 65 LEU N 0.475 0.007 56 66 SER N 0.491 0.009 57 67 HIS N 0.434 0.010 58 69 GLY N 0.389 0.007 59 70 LYS N 0.469 0.006 60 71 ASP N 0.506 0.013 61 72 VAL N 0.510 0.007 62 73 GLU N 0.505 0.008 63 74 LEU N 0.488 0.006 64 75 LEU N 0.494 0.010 65 76 ASP N 0.399 0.008 66 77 ASP N 0.386 0.008 67 78 LEU N 0.468 0.009 68 79 ALA N 0.438 0.005 69 80 HIS N 0.409 0.005 70 81 THR N 0.469 0.009 71 82 ILE N 0.463 0.007 72 84 ILE N 0.458 0.006 73 85 GLU N 0.475 0.007 74 86 GLU N 0.500 0.006 75 87 LEU N 0.500 0.006 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 720 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 ALA N 0.502 0.080 2 8 ALA N 0.506 0.057 3 10 GLY N 0.509 0.052 4 11 THR N 0.520 0.052 5 12 ARG N 0.491 0.038 6 13 VAL N 0.535 0.044 7 14 ILE N 0.530 0.036 8 15 ASP N 0.523 0.042 9 16 ALA N 0.568 0.045 10 18 THR N 0.477 0.037 11 19 SER N 0.428 0.045 12 20 MET N 0.478 0.046 13 22 ARG N 0.523 0.043 14 23 LYS N 0.553 0.039 15 24 VAL N 0.579 0.048 16 25 ARG N 0.551 0.031 17 26 ILE N 0.554 0.042 18 27 VAL N 0.533 0.039 19 29 ILE N 0.537 0.041 20 30 ASN N 0.510 0.079 21 31 GLU N 0.477 0.050 22 32 ILE N 0.531 0.048 23 33 PHE N 0.481 0.051 24 34 GLN N 0.445 0.045 25 35 VAL N 0.519 0.049 26 36 GLU N 0.479 0.042 27 37 THR N 0.474 0.044 28 38 ASP N 0.405 0.040 29 39 GLN N 0.447 0.045 30 40 PHE N 0.464 0.037 31 41 THR N 0.418 0.033 32 42 GLN N 0.449 0.037 33 43 LEU N 0.538 0.045 34 44 LEU N 0.561 0.044 35 45 ASP N 0.538 0.036 36 46 ALA N 0.560 0.047 37 47 ASP N 0.514 0.033 38 48 ILE N 0.567 0.046 39 49 ARG N 0.532 0.049 40 50 VAL N 0.554 0.044 41 51 GLY N 0.540 0.034 42 52 SER N 0.516 0.032 43 53 GLU N 0.552 0.043 44 54 VAL N 0.605 0.044 45 55 GLU N 0.585 0.046 46 56 ILE N 0.553 0.038 47 57 VAL N 0.547 0.042 48 58 ASP N 0.533 0.043 49 59 ARG N 0.585 0.054 50 60 ASP N 0.435 0.056 51 61 GLY N 0.528 0.038 52 62 HIS N 0.567 0.049 53 63 ILE N 0.563 0.059 54 64 THR N 0.533 0.048 55 65 LEU N 0.555 0.043 56 66 SER N 0.584 0.048 57 67 HIS N 0.495 0.033 58 69 GLY N 0.425 0.040 59 70 LYS N 0.539 0.045 60 71 ASP N 0.595 0.059 61 72 VAL N 0.610 0.045 62 73 GLU N 0.605 0.054 63 74 LEU N 0.576 0.042 64 75 LEU N 0.579 0.047 65 76 ASP N 0.444 0.048 66 77 ASP N 0.418 0.038 67 78 LEU N 0.550 0.050 68 79 ALA N 0.509 0.038 69 80 HIS N 0.465 0.040 70 81 THR N 0.536 0.046 71 82 ILE N 0.541 0.046 72 84 ILE N 0.534 0.043 73 85 GLU N 0.559 0.044 74 86 GLU N 0.594 0.050 75 87 LEU N 0.589 0.051 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 Nz _T2_value_units s _Mol_system_component_name 'subunit 1' _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 6 ALA N 0.338 0.112 . . 2 8 ALA N 0.286 0.069 . . 3 10 GLY N 0.156 0.019 . . 4 11 THR N 0.125 0.009 . . 5 12 ARG N 0.147 0.016 . . 6 13 VAL N 0.148 0.013 . . 7 14 ILE N 0.081 0.004 . . 8 15 ASP N 0.106 0.007 . . 9 16 ALA N 0.139 0.012 . . 10 18 THR N 0.142 0.010 . . 11 19 SER N 0.126 0.011 . . 12 20 MET N 0.150 0.016 . . 13 22 ARG N 0.142 0.014 . . 14 23 LYS N 0.160 0.017 . . 15 24 VAL N 0.133 0.011 . . 16 25 ARG N 0.129 0.010 . . 17 26 ILE N 0.153 0.018 . . 18 27 VAL N 0.137 0.012 . . 19 29 ILE N 0.151 0.013 . . 20 30 ASN N 0.327 0.123 . . 21 31 GLU N 0.151 0.014 . . 22 32 ILE N 0.155 0.015 . . 23 33 PHE N 0.159 0.016 . . 24 34 GLN N 0.145 0.011 . . 25 35 VAL N 0.158 0.016 . . 26 36 GLU N 0.150 0.014 . . 27 37 THR N 0.152 0.015 . . 28 39 GLN N 0.155 0.016 . . 29 40 PHE N 0.151 0.016 . . 30 41 THR N 0.147 0.014 . . 31 42 GLN N 0.128 0.009 . . 32 43 LEU N 0.081 0.004 . . 33 44 LEU N 0.141 0.012 . . 34 45 ASP N 0.155 0.018 . . 35 46 ALA N 0.090 0.006 . . 36 47 ASP N 0.104 0.006 . . 37 48 ILE N 0.107 0.006 . . 38 49 ARG N 0.157 0.019 . . 39 50 VAL N 0.153 0.018 . . 40 51 GLY N 0.141 0.011 . . 41 52 SER N 0.135 0.011 . . 42 53 GLU N 0.156 0.017 . . 43 54 VAL N 0.143 0.011 . . 44 55 GLU N 0.137 0.013 . . 45 56 ILE N 0.105 0.007 . . 46 57 VAL N 0.138 0.012 . . 47 58 ASP N 0.153 0.013 . . 48 59 ARG N 0.153 0.014 . . 49 60 ASP N 0.149 0.015 . . 50 61 GLY N 0.160 0.023 . . 51 62 HIS N 0.162 0.017 . . 52 63 ILE N 0.141 0.013 . . 53 64 THR N 0.142 0.013 . . 54 65 LEU N 0.124 0.011 . . 55 66 SER N 0.104 0.006 . . 56 67 HIS N 0.140 0.011 . . 57 69 GLY N 0.134 0.013 . . 58 70 LYS N 0.156 0.019 . . 59 71 ASP N 0.133 0.010 . . 60 72 VAL N 0.151 0.014 . . 61 73 GLU N 0.142 0.013 . . 62 74 LEU N 0.146 0.013 . . 63 75 LEU N 0.162 0.015 . . 64 76 ASP N 0.138 0.011 . . 65 77 ASP N 0.131 0.010 . . 66 78 LEU N 0.140 0.012 . . 67 79 ALA N 0.130 0.010 . . 68 80 HIS N 0.132 0.009 . . 69 81 THR N 0.135 0.011 . . 70 82 ILE N 0.148 0.015 . . 71 84 ILE N 0.117 0.008 . . 72 85 GLU N 0.130 0.010 . . 73 86 GLU N 0.141 0.014 . . 74 87 LEU N 0.158 0.016 . . 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 720 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'subunit 1' _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 6 ALA N 0.248 0.122 . . 2 8 ALA N 0.215 0.068 . . 3 10 GLY N 0.121 0.014 . . 4 11 THR N 0.096 0.008 . . 5 12 ARG N 0.116 0.010 . . 6 13 VAL N 0.126 0.016 . . 7 14 ILE N 0.062 0.004 . . 8 15 ASP N 0.082 0.005 . . 9 16 ALA N 0.118 0.011 . . 10 18 THR N 0.114 0.012 . . 11 19 SER N 0.099 0.007 . . 12 20 MET N 0.123 0.016 . . 13 22 ARG N 0.117 0.012 . . 14 23 LYS N 0.126 0.017 . . 15 24 VAL N 0.111 0.011 . . 16 25 ARG N 0.105 0.007 . . 17 26 ILE N 0.131 0.015 . . 18 27 VAL N 0.111 0.012 . . 19 29 ILE N 0.124 0.015 . . 20 30 ASN N 0.236 0.108 . . 21 31 GLU N 0.127 0.015 . . 22 32 ILE N 0.120 0.011 . . 23 33 PHE N 0.129 0.018 . . 24 34 GLN N 0.118 0.012 . . 25 35 VAL N 0.120 0.013 . . 26 36 GLU N 0.117 0.012 . . 27 37 THR N 0.118 0.011 . . 28 38 ASP N 0.130 0.020 . . 29 39 GLN N 0.122 0.015 . . 30 40 PHE N 0.119 0.013 . . 31 41 THR N 0.122 0.014 . . 32 42 GLN N 0.096 0.008 . . 33 43 LEU N 0.065 0.005 . . 34 44 LEU N 0.115 0.013 . . 35 45 ASP N 0.125 0.015 . . 36 46 ALA N 0.071 0.005 . . 37 47 ASP N 0.083 0.004 . . 38 48 ILE N 0.084 0.005 . . 39 49 ARG N 0.124 0.018 . . 40 50 VAL N 0.126 0.015 . . 41 51 GLY N 0.113 0.010 . . 42 52 SER N 0.108 0.009 . . 43 53 GLU N 0.123 0.018 . . 44 54 VAL N 0.120 0.013 . . 45 55 GLU N 0.112 0.009 . . 46 56 ILE N 0.084 0.005 . . 47 57 VAL N 0.110 0.011 . . 48 58 ASP N 0.126 0.017 . . 49 59 ARG N 0.124 0.015 . . 50 60 ASP N 0.121 0.011 . . 51 61 GLY N 0.124 0.013 . . 52 62 HIS N 0.128 0.015 . . 53 63 ILE N 0.117 0.014 . . 54 64 THR N 0.116 0.013 . . 55 65 LEU N 0.102 0.009 . . 56 66 SER N 0.085 0.004 . . 57 67 HIS N 0.113 0.010 . . 58 69 GLY N 0.098 0.008 . . 59 70 LYS N 0.125 0.015 . . 60 71 ASP N 0.117 0.013 . . 61 72 VAL N 0.123 0.015 . . 62 73 GLU N 0.119 0.014 . . 63 74 LEU N 0.120 0.012 . . 64 75 LEU N 0.132 0.020 . . 65 76 ASP N 0.112 0.013 . . 66 77 ASP N 0.104 0.008 . . 67 78 LEU N 0.116 0.012 . . 68 79 ALA N 0.101 0.008 . . 69 80 HIS N 0.060 0.006 . . 70 81 THR N 0.103 0.008 . . 71 82 ILE N 0.120 0.015 . . 72 84 ILE N 0.096 0.007 . . 73 85 GLU N 0.105 0.009 . . 74 86 GLU N 0.114 0.011 . . 75 87 LEU N 0.129 0.015 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 'Het NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'subunit 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 ALA -0.252 0.020 8 ALA 0.164 0.016 10 GLY 0.618 0.016 11 THR 0.708 0.020 12 ARG 0.711 0.018 13 VAL 0.761 0.020 14 ILE 0.753 0.021 15 ASP 0.707 0.021 16 ALA 0.702 0.005 18 THR 0.754 0.021 19 SER 0.781 0.019 20 MET 0.711 0.015 22 ARG 0.733 0.016 23 LYS 0.690 0.016 24 VAL 0.721 0.019 25 ARG 0.717 0.018 26 ILE 0.732 0.009 27 VAL 0.740 0.023 29 ILE 0.754 0.019 30 ASN -0.770 0.023 31 GLU 0.617 0.017 32 ILE 0.488 0.009 33 PHE 0.394 0.016 34 GLN 0.597 0.017 35 VAL 0.485 0.011 36 GLU 0.560 0.017 37 THR 0.507 0.017 39 GLN 0.607 0.018 40 PHE 0.702 0.017 41 THR 0.749 0.017 42 GLN 0.686 0.016 43 LEU 0.699 0.022 44 LEU 0.738 0.017 45 ASP 0.732 0.016 46 ALA 0.720 0.025 47 ASP 0.722 0.018 48 ILE 0.730 0.018 49 ARG 0.724 0.017 50 VAL 0.783 0.016 51 GLY 0.743 0.019 52 SER 0.761 0.016 53 GLU 0.769 0.018 54 VAL 0.730 0.018 56 ILE 0.752 0.020 57 VAL 0.702 0.015 58 ASP 0.775 0.017 59 ARG 0.735 0.016 60 ASP 0.616 0.019 61 GLY 0.622 0.017 62 HIS 0.632 0.015 63 ILE 0.711 0.020 64 THR 0.775 0.019 65 LEU 0.725 0.019 66 SER 0.711 0.021 67 HIS 0.788 0.019 69 GLY 0.748 0.019 70 LYS 0.779 0.015 71 ASP 0.667 0.016 72 VAL 0.708 0.019 73 GLU 0.717 0.017 74 LEU 0.743 0.019 75 LEU 0.702 0.020 76 ASP 0.692 0.009 77 ASP 0.749 0.019 78 LEU 0.725 0.017 79 ALA 0.714 0.017 80 HIS 0.733 0.019 81 THR 0.742 0.018 82 ILE 0.718 0.018 84 ILE 0.755 0.022 85 GLU 0.727 0.019 86 GLU 0.716 0.016 87 LEU 0.633 0.018 stop_ save_