data_4764 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N relaxation data and model-free parameters for the N-terminal receiver domain of phosphorylated NtrC receiver domain (P-NtrCr) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kern D. . . 2 Volkman B. F. . 3 Wemmer D. E. . stop_ _BMRB_accession_number 4764 _BMRB_flat_file_name bmr4764.str _Entry_type new _Submission_date 2000-06-14 _Accession_date 2000-06-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; This BMRB deposition contains 15N relaxation parameters and model-free analysis results for 15N-labeled receiver domain of the fully active, phosphorylated wild-type domain, P-NtrCr, from the NtrC protein of S. typhimurium. This study was undertaken in conjunction with similar experiments performed on two related forms of this protein, the inactive unphosphorylated wild type form, NtrCr, and the partially active (but unphosphorylated) double mutant NtrCr(D86N/A89T). The results obtained on the other two forms are contained in separate BMRB depositions." ; loop_ _Saveframe_category_type _Saveframe_category_type_count T1_relaxation 1 T2_relaxation 2 heteronuclear_NOE 1 stop_ loop_ _Data_type _Data_type_count 'T1 relaxation values' 93 'T2 relaxation values' 186 'heteronuclear NOE values' 93 stop_ loop_ _Related_BMRB_accession_number _Relationship 4527 "Chemical shifts of NtrC wild type" 4528 "Chemical shifts of NtrC phosporylated" 4762 "Relaxation data of NtrCr wild type" 4763 "Relaxation data of NtrCr double mutant (D86N/A89T)" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Two-state allosteric behavior in a single domain signaling protein ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman Brian F. . 2 Lipson Doron . . 3 Wemmer David E. . 4 Kern Dorothee . . stop_ _Journal_abbreviation Science _Journal_volume 291 _Journal_issue . _Page_first 2429 _Page_last 2433 _Year 2001 loop_ _Keyword "receiver domain" "dynamics" "phosphorylation" "signal transduction" "conformational rearrangement" "two-component system" stop_ save_ ################################## # Molecular system description # ################################## save_system_P-NtrC _Saveframe_category molecular_system _Mol_system_name "ACTIVE (PHOSPHORYLATED) NITROGEN REGULATION PROTEIN" _Abbreviation_common P-NtrC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "NITROGEN REGULATION PROTEIN" $NtrCr "Magnesium ion" $MG_2+ stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function "transcriptional regulation" "enhancer-binding protein" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1DC8 ? . stop_ _Details ; Mg2+ is required for phosphorylation and dephosphorylation, and is thought to be coordinated by sidechain carboxylates of D10 and D54, as well as the backbone carbonyl of R56. ; save_ ######################## # Monomeric polymers # ######################## save_NtrCr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Nitrogen regulatory protein C N-terminal receiver domain" _Name_variant "phosphorylated form" _Abbreviation_common P-NtrCr _Mol_thiol_state 'all free' _Details ; This corresponds to the N-terminal 124 residues of the full-length NtrC protein. This is the N-terminal receiver domain of the protein NtrC. ; ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSXIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ARG 4 GLY 5 ILE 6 VAL 7 TRP 8 VAL 9 VAL 10 ASP 11 ASP 12 ASP 13 SER 14 SER 15 ILE 16 ARG 17 TRP 18 VAL 19 LEU 20 GLU 21 ARG 22 ALA 23 LEU 24 ALA 25 GLY 26 ALA 27 GLY 28 LEU 29 THR 30 CYS 31 THR 32 THR 33 PHE 34 GLU 35 ASN 36 GLY 37 ASN 38 GLU 39 VAL 40 LEU 41 ALA 42 ALA 43 LEU 44 ALA 45 SER 46 LYS 47 THR 48 PRO 49 ASP 50 VAL 51 LEU 52 LEU 53 SER 54 PASP 55 ILE 56 ARG 57 MET 58 PRO 59 GLY 60 MET 61 ASP 62 GLY 63 LEU 64 ALA 65 LEU 66 LEU 67 LYS 68 GLN 69 ILE 70 LYS 71 GLN 72 ARG 73 HIS 74 PRO 75 MET 76 LEU 77 PRO 78 VAL 79 ILE 80 ILE 81 MET 82 THR 83 ALA 84 HIS 85 SER 86 ASP 87 LEU 88 ASP 89 ALA 90 ALA 91 VAL 92 SER 93 ALA 94 TYR 95 GLN 96 GLN 97 GLY 98 ALA 99 PHE 100 ASP 101 TYR 102 LEU 103 PRO 104 LYS 105 PRO 106 PHE 107 ASP 108 ILE 109 ASP 110 GLU 111 ALA 112 VAL 113 ALA 114 LEU 115 VAL 116 GLU 117 ARG 118 ALA 119 ILE 120 SER 121 HIS 122 TYR 123 GLN 124 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 4527 NtrCr 100.00 124 99.19 99.19 1.47e-83 BMRB 4528 P-NtrCr 100.00 124 99.19 99.19 1.47e-83 BMRB 4762 NtrCr 100.00 124 99.19 99.19 1.47e-83 BMRB 4763 NtrCr 100.00 124 97.58 98.39 1.36e-82 BMRB 5303 NR(I) 100.00 124 99.19 99.19 1.47e-83 PDB 1DC7 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 99.19 99.19 9.30e-83 PDB 1DC8 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 100.00 100.00 5.27e-83 PDB 1J56 "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" 100.00 124 99.19 99.19 1.47e-83 PDB 1KRW "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" 99.19 124 99.19 99.19 8.16e-83 PDB 1KRX "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" 100.00 124 99.19 99.19 1.47e-83 PDB 1NTR "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" 100.00 124 99.19 99.19 1.47e-83 DBJ BAB38213 "response regulator for gln GlnG [Escherichia coli O157:H7 str. Sakai]" 100.00 469 97.58 97.58 9.60e-78 DBJ BAE77441 "fused DNA-binding response regulator in two-component regulatory system with GlnL, nitrogen regulator I (NRI) [Escherichia coli" 100.00 469 97.58 97.58 9.60e-78 DBJ BAG79675 "two-component regulator protein [Escherichia coli SE11]" 100.00 469 97.58 97.58 9.60e-78 DBJ BAI27885 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 97.58 97.58 9.60e-78 DBJ BAI33008 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 97.58 97.58 9.60e-78 EMBL CAA28808 "unnamed protein product [Escherichia coli K-12]" 100.00 468 97.58 97.58 8.23e-78 EMBL CAA59425 "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 469 99.19 99.19 2.17e-79 EMBL CAD03095 "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 98.39 98.39 1.84e-78 EMBL CAP78325 "Nitrogen regulation protein NR(I) [Escherichia coli LF82]" 100.00 469 97.58 97.58 1.47e-77 EMBL CAQ34219 "NtrC transcriptional dual regulator, subunit of NtrC-Phosphorylated transcriptional dual regulator [Escherichia coli BL21(DE3)]" 100.00 469 97.58 97.58 9.60e-78 GB AAB03002 "CG Site No. 702 [Escherichia coli str. K-12 substr. MG1655]" 100.00 469 97.58 97.58 9.60e-78 GB AAC76865 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 97.58 97.58 9.60e-78 GB AAG59057 "response regulator for gln (sensor glnL) (nitrogen regulator I, NRI) [Escherichia coli O157:H7 str. EDL933]" 100.00 469 97.58 97.58 7.66e-78 GB AAL22844 "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" 100.00 469 99.19 99.19 2.17e-79 GB AAN45373 "sensor glnL response regulator (nitrogen regulator I, NRI) [Shigella flexneri 2a str. 301]" 100.00 469 97.58 97.58 9.20e-78 PIR AC0950 "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 469 98.39 98.39 1.84e-78 PIR E86074 "hypothetical protein glnG [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 469 97.58 97.58 7.66e-78 REF NP_290493 "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. EDL933]" 100.00 469 97.58 97.58 7.66e-78 REF NP_312817 "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. Sakai]" 100.00 469 97.58 97.58 9.60e-78 REF NP_418304 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 97.58 97.58 9.60e-78 REF NP_458044 "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 98.39 98.39 1.84e-78 REF NP_462885 "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 469 99.19 99.19 2.17e-79 SP P0AFB8 "RecName: Full=Nitrogen regulation protein NR(I) [Escherichia coli K-12]" 100.00 469 97.58 97.58 9.60e-78 SP P0AFB9 "RecName: Full=Nitrogen regulation protein NR(I) [Escherichia coli O157:H7]" 100.00 469 97.58 97.58 9.60e-78 SP P41789 "RecName: Full=Nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 469 99.19 99.19 2.17e-79 stop_ save_ ###################### # Polymer residues # ###################### save_PASP _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'L-aspartic acid phosphate' _Abbreviation_common ? _Name_IUPAC . _BMRB_code PASP _PDB_code ? _Standard_residue_derivative ASP loop_ _Mol_label _Residue_seq_code $NtrCr 54 stop_ _Mol_empirical_formula 'C4 H6 N1 O7 P1' _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P ? P ? 0 ? ? O1P ? O ? 0 ? ? O2P ? O ? 0 ? ? O3P ? O ? 0 ? ? O4P ? O ? 0 ? ? N ? N ? 0 ? ? O ? O ? 0 ? ? OD1 ? O ? 0 ? ? OD2 ? O ? 0 ? ? C ? C ? 0 ? ? CA ? C ? 0 ? ? CB ? C ? 0 ? ? CG ? C ? 0 ? ? HOP2 ? H ? 0 ? ? HOP3 ? H ? 0 ? ? H ? H ? 0 ? ? HA ? H ? 0 ? ? HB2 ? H ? 0 ? ? HB3 ? H ? 0 ? ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING P O4P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? SING O4P OD2 ? ? SING N CA ? ? SING N H ? ? DOUB C O ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG OD1 ? ? SING CG OD2 ? ? stop_ save_ ############# # Ligands # ############# save_MG_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common magnesium _Abbreviation_common Mg2+ _Name_IUPAC . _BMRB_code MG_2+ _PDB_code MG _Mol_empirical_formula MG1 _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG ? 2+ ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NtrCr Bacteria 602 Eubacteria . Salmonella typhimurium 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 $NtrCr 'recombinant technology' Bacteria Escherichia coli BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NtrCr 0.3 mM "U-99% 15N" "phosphate" 200 mM . "magnesium chloride" 50 mM . "carbamoyl phosphate" 200 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95.0 loop_ _Task processing stop_ _Details "Commercial software from MSI" save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task collection stop_ _Details BRUKER save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version 4.01 loop_ _Task "DATA ANALYSIS" stop_ _Details ; Provided by Prof. Arthur G. Palmer of Columbia University. Palmer, A. G.,Rance, M. & Wright, P. E. (1991) J. Am. Chem. Soc. 113, 4371-4380. Mandel, A. M.,Akke, M. & Palmer, A. G. (1995) J. Mol. Bio 246, 144-163. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H-15N HSQC for measurement of 15N relaxation paramters T1, T2 and 1H-15N NOE. ; _Details ; All pulse schemes utilized gradients for sensitivity enhancement and selective pulses for water flip-back (Farrow, N.A. et al, Biochemistry (1994), 33, 5984-6003. Data for R1 and R2 measurements were acquired with 24 scans per FID, 160 complex 15N points and 512 complex 1H points. Heteronuclear NOE measurements were acquired similarly, but with 48 scans per FID. Spectral widths at 750 (600) MHz were 10000 (8012.82) Hz in the 1H dimension and 2222.22 (1778.09) Hz in the 15N dimension. T2 values were obtained with 8 different durations of the delay T: 7.2, 14.4, 21.6, 28.8, 43.2, 57.6, 86.4, 115.2 ms. T1 values were obtained with T = 10, 20, 60, 120, 200, 400, 800 and 1400 ms. Duplicate spectra were recorded for T = 10 and 400 ms (T1) and T = 7.2 and 57.6 ms (T2) for estimation of peak height uncertainties. Pulse programs used for this study for Bruker Avance NMR spectrometers are available at http://www.nmrfam.wisc.edu/~volkman/pp/pulprog.html. Both spectrometers were equipped with three-axis gradients and triple-resonance probeheads. ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.75 0.2 n/a temperature 298 1 K ionic_strength 500 50 mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ save_T1_set_750 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name "NITROGEN REGULATION PROTEIN" _T1_coherence_type Nz _T1_value_units s-1 loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 5 ILE N 0.776 0.154 6 VAL N 0.757 0.216 7 TRP N 0.999 0.200 8 VAL N 0.851 0.176 9 VAL N 0.711 0.156 10 ASP N 1.000 0.142 11 ASP N 1.068 0.247 12 ASP N 0.888 0.249 13 SER N 0.980 0.163 14 SER N 1.185 0.191 15 ILE N 1.057 0.141 16 ARG N 1.058 0.120 18 VAL N 0.962 0.118 19 LEU N 0.978 0.142 20 GLU N 1.033 0.086 21 ARG N 1.006 0.217 23 LEU N 0.956 0.124 24 ALA N 0.724 0.148 25 GLY N 0.887 0.096 26 ALA N 0.883 0.047 27 GLY N 0.876 0.135 28 LEU N 0.974 0.094 30 CYS N 1.034 0.159 31 THR N 0.687 0.163 32 THR N 0.977 0.099 33 PHE N 0.985 0.139 34 GLU N 1.045 0.119 35 ASN N 0.736 0.099 36 GLY N 1.032 0.122 38 GLU N 0.856 0.120 39 VAL N 0.922 0.136 41 ALA N 0.909 0.074 42 ALA N 0.893 0.076 43 LEU N 0.894 0.132 44 ALA N 0.869 0.093 45 SER N 1.037 0.153 46 LYS N 0.864 0.095 47 THR N 0.864 0.110 49 ASP N 0.927 0.202 50 VAL N 0.780 0.113 51 LEU N 0.999 0.122 52 LEU N 0.817 0.131 53 SER N 0.806 0.175 54 PASP N 0.577 0.197 55 ILE N 0.705 0.315 57 MET N 0.907 0.185 59 GLY N 0.892 0.229 61 ASP N 0.768 0.166 62 GLY N 0.672 0.298 63 LEU N 1.066 0.114 64 ALA N 0.855 0.188 66 LEU N 1.025 0.152 67 LYS N 0.861 0.134 68 GLN N 0.810 0.097 69 ILE N 0.944 0.158 70 LYS N 0.921 0.107 71 GLN N 0.845 0.123 73 HIS N 0.797 0.134 75 MET N 1.006 0.142 76 LEU N 1.020 0.123 78 VAL N 0.919 0.132 79 ILE N 0.849 0.197 80 ILE N 0.715 0.182 81 MET N 0.957 0.162 82 THR N 0.846 0.162 88 ASP N 0.837 0.127 89 ALA N 0.980 0.133 90 ALA N 1.137 0.176 91 VAL N 0.858 0.170 92 SER N 0.905 0.146 93 ALA N 0.730 0.159 95 GLN N 0.748 0.083 96 GLN N 0.698 0.147 97 GLY N 0.837 0.128 98 ALA N 0.844 0.150 100 ASP N 0.917 0.276 102 LEU N 1.101 0.213 106 PHE N 1.006 0.125 107 ASP N 0.939 0.115 108 ILE N 1.000 0.142 109 ASP N 0.771 0.126 110 GLU N 0.941 0.080 111 ALA N 0.927 0.109 112 VAL N 0.907 0.114 113 ALA N 0.926 0.126 114 LEU N 1.006 0.109 115 VAL N 0.849 0.104 116 GLU N 1.060 0.111 118 ALA N 0.885 0.104 119 ILE N 0.966 0.209 120 SER N 0.763 0.167 123 GLN N 1.359 0.094 124 GLU N 1.337 0.050 stop_ save_ save_T2_relaxation_750 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name "NITROGEN REGULATION PROTEIN" _T2_coherence_type Nx _T2_value_units s-1 loop_ _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 5 ILE N 13.700 1.554 6 VAL N 14.410 3.900 7 TRP N 17.141 1.722 8 VAL N 17.351 2.395 9 VAL N 14.245 2.379 10 ASP N 16.979 2.035 11 ASP N 23.331 2.845 12 ASP N 12.991 2.024 13 SER N 14.423 1.927 14 SER N 15.734 1.379 15 ILE N 17.792 1.618 16 ARG N 15.366 1.307 18 VAL N 18.010 1.800 19 LEU N 17.895 1.899 20 GLU N 19.501 2.583 21 ARG N 18.010 1.800 23 LEU N 16.124 1.025 24 ALA N 17.486 1.368 25 GLY N 15.528 0.669 26 ALA N 17.788 0.738 27 GLY N 14.870 0.782 28 LEU N 17.700 2.900 30 CYS N 18.430 2.262 31 THR N 16.810 1.260 32 THR N 18.210 0.800 33 PHE N 15.430 1.483 34 GLU N 15.393 4.034 35 ASN N 16.700 0.782 36 GLY N 11.892 2.129 38 GLU N 17.737 0.922 39 VAL N 16.620 1.800 41 ALA N 17.020 1.375 42 ALA N 18.780 1.203 43 LEU N 16.619 1.842 44 ALA N 17.730 0.944 45 SER N 15.528 0.669 46 LYS N 16.916 0.812 47 THR N 15.165 2.174 49 ASP N 15.797 2.896 50 VAL N 14.996 2.117 51 LEU N 18.004 2.826 52 LEU N 18.290 1.752 53 SER N 18.217 0.809 54 PASP N 18.662 2.448 55 ILE N 17.130 2.699 57 MET N 16.420 3.095 59 GLY N 16.880 3.687 61 ASP N 16.768 2.062 62 GLY N 16.032 2.300 63 LEU N 16.779 0.474 64 ALA N 17.230 1.452 66 LEU N 17.660 0.680 67 LYS N 16.640 1.479 68 GLN N 18.100 1.480 69 ILE N 18.730 1.930 70 LYS N 16.940 1.030 71 GLN N 15.420 1.090 73 HIS N 15.360 1.310 75 MET N 17.360 2.100 76 LEU N 16.996 1.336 78 VAL N 16.120 2.730 79 ILE N 18.090 2.500 80 ILE N 18.780 2.500 81 MET N 18.350 1.372 82 THR N 14.970 2.809 88 ASP N 21.100 2.055 89 ALA N 20.651 1.308 90 ALA N 18.730 1.150 91 VAL N 17.860 1.618 92 SER N 18.090 1.648 93 ALA N 19.141 1.991 95 GLN N 16.410 1.336 96 GLN N 18.560 2.132 97 GLY N 16.030 2.150 98 ALA N 17.890 1.601 100 ASP N 25.400 4.000 102 LEU N 15.820 2.150 106 PHE N 18.890 1.025 107 ASP N 19.600 1.600 108 ILE N 15.570 1.824 109 ASP N 16.417 2.793 110 GLU N 15.980 0.738 111 ALA N 17.296 1.366 112 VAL N 16.950 1.356 113 ALA N 17.020 1.151 114 LEU N 17.350 1.789 115 VAL N 18.950 1.480 116 GLU N 15.920 1.857 118 ALA N 18.377 1.894 119 ILE N 18.120 1.089 120 SER N 15.700 2.174 123 GLN N 12.000 2.000 124 GLU N 4.500 0.641 stop_ save_ save_T2_relaxation_600 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name "NITROGEN REGULATION PROTEIN" _T2_coherence_type Nx _T2_value_units s-1 loop_ _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 5 ILE N 13.288 1.047 6 VAL N 14.214 2.069 7 TRP N 13.379 1.226 8 VAL N 13.752 1.429 9 VAL N 11.857 1.354 10 ASP N 13.258 1.163 11 ASP N 19.233 3.287 12 ASP N 13.515 1.339 13 SER N 14.905 0.993 14 SER N 14.684 1.093 15 ILE N 13.520 0.729 16 ARG N 14.255 0.892 18 VAL N 15.501 1.096 19 LEU N 15.855 2.024 20 GLU N 11.786 1.344 21 ARG N 15.487 2.275 23 LEU N 14.627 1.359 24 ALA N 13.744 0.842 25 GLY N 12.081 0.868 26 ALA N 14.095 0.865 27 GLY N 12.777 0.962 28 LEU N 13.441 1.000 30 CYS N 10.222 2.220 31 THR N 10.247 1.682 32 THR N 14.404 1.626 33 PHE N 12.287 1.046 34 GLU N 10.916 1.254 35 ASN N 13.251 0.991 36 GLY N 12.286 2.902 38 GLU N 13.352 1.070 39 VAL N 15.072 1.323 41 ALA N 13.287 0.734 42 ALA N 12.222 1.141 43 LEU N 12.417 1.481 44 ALA N 13.986 0.904 45 SER N 10.757 0.570 46 LYS N 9.807 0.806 47 THR N 10.657 0.970 49 ASP N 11.970 1.741 50 VAL N 14.685 1.302 51 LEU N 11.286 2.074 52 LEU N 9.173 1.746 53 SER N 14.230 1.237 54 PASP N 14.115 2.203 55 ILE N 11.975 1.508 57 MET N 13.141 1.197 59 GLY N 10.880 1.973 61 ASP N 12.246 0.701 62 GLY N 12.477 1.935 63 LEU N 14.486 0.972 64 ALA N 13.568 0.919 66 LEU N 14.346 1.164 67 LYS N 12.851 1.430 68 GLN N 13.587 1.227 69 ILE N 15.187 1.234 70 LYS N 12.375 1.857 71 GLN N 12.994 1.028 73 HIS N 13.108 1.045 75 MET N 12.910 0.737 76 LEU N 11.311 1.868 78 VAL N 12.474 1.647 79 ILE N 15.411 2.216 80 ILE N 11.341 1.805 81 MET N 13.939 1.551 82 THR N 12.343 1.283 88 ASP N 14.618 1.365 89 ALA N 11.753 1.234 90 ALA N 13.615 1.118 91 VAL N 15.249 1.653 92 SER N 13.703 1.435 93 ALA N 13.672 0.791 95 GLN N 11.397 1.331 96 GLN N 11.526 1.820 97 GLY N 14.496 1.542 98 ALA N 14.340 1.404 100 ASP N 20.300 3.090 102 LEU N 13.450 1.663 106 PHE N 15.622 2.209 107 ASP N 11.896 0.626 108 ILE N 13.535 1.107 109 ASP N 14.136 1.352 110 GLU N 11.430 0.675 111 ALA N 13.622 0.656 112 VAL N 11.104 0.907 113 ALA N 14.822 1.038 114 LEU N 13.615 0.806 115 VAL N 14.746 1.449 116 GLU N 13.776 1.024 118 ALA N 12.700 1.323 119 ILE N 13.132 1.198 120 SER N 9.996 2.676 123 GLN N 5.294 0.369 124 GLU N 1.780 0.441 stop_ save_ save_heteronuclear_NOE_750 _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name "NITROGEN REGULATION PROTEIN" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Residue_seq_code _Residue_label _Atom_name _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 5 ILE N 0.852 0.050 6 VAL N 0.903 0.050 7 TRP N 0.813 0.050 8 VAL N 0.980 0.050 9 VAL N 0.670 0.050 10 ASP N 0.761 0.050 11 ASP N 0.962 0.050 12 ASP N 0.823 0.050 13 SER N 0.818 0.050 14 SER N 0.760 0.050 15 ILE N 0.801 0.050 16 ARG N 0.831 0.050 18 VAL N 0.749 0.050 19 LEU N 0.970 0.050 20 GLU N 0.978 0.050 21 ARG N 0.877 0.050 23 LEU N 0.754 0.050 24 ALA N 0.692 0.050 25 GLY N 0.939 0.050 26 ALA N 0.757 0.050 27 GLY N 0.715 0.050 28 LEU N 0.722 0.050 30 CYS N 0.858 0.050 31 THR N 0.976 0.050 32 THR N 0.826 0.050 33 PHE N 0.896 0.050 34 GLU N 0.770 0.050 35 ASN N 0.850 0.050 36 GLY N 0.925 0.050 38 GLU N 0.841 0.050 39 VAL N 0.832 0.050 41 ALA N 0.813 0.050 42 ALA N 0.968 0.050 43 LEU N 0.872 0.050 44 ALA N 0.900 0.050 45 SER N 0.789 0.050 46 LYS N 0.841 0.050 47 THR N 0.842 0.050 49 ASP N 0.760 0.050 50 VAL N 0.825 0.050 51 LEU N 0.940 0.050 52 LEU N 0.815 0.050 53 SER N 0.873 0.050 54 PASP N 0.894 0.050 55 ILE N 0.651 0.050 57 MET N 0.995 0.050 59 GLY N 0.669 0.050 61 ASP N 0.845 0.050 62 GLY N 0.706 0.050 63 LEU N 0.894 0.050 64 ALA N 0.827 0.050 66 LEU N 0.772 0.050 67 LYS N 0.953 0.050 68 GLN N 0.917 0.050 69 ILE N 0.990 0.050 70 LYS N 0.775 0.050 71 GLN N 0.893 0.050 73 HIS N 0.800 0.050 75 MET N 0.675 0.050 76 LEU N 0.834 0.050 78 VAL N 0.861 0.050 79 ILE N 0.932 0.050 80 ILE N 0.813 0.050 81 MET N 0.983 0.050 82 THR N 0.808 0.050 88 ASP N 0.784 0.050 89 ALA N 0.639 0.050 90 ALA N 0.912 0.050 91 VAL N 0.899 0.050 92 SER N 0.962 0.050 93 ALA N 0.789 0.050 95 GLN N 0.838 0.050 96 GLN N 0.856 0.050 97 GLY N 0.846 0.050 98 ALA N 0.780 0.050 100 ASP N 0.767 0.050 102 LEU N 0.881 0.050 106 PHE N 0.634 0.050 107 ASP N 0.849 0.050 108 ILE N 0.735 0.050 109 ASP N 0.944 0.050 110 GLU N 0.848 0.050 111 ALA N 0.821 0.050 112 VAL N 0.967 0.050 113 ALA N 0.762 0.050 114 LEU N 0.850 0.050 115 VAL N 0.659 0.050 116 GLU N 0.883 0.050 118 ALA N 0.921 0.050 119 ILE N 0.787 0.050 120 SER N 0.715 0.050 123 GLN N 0.453 0.050 124 GLU N 0.036 0.050 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _PubMed_ID 7827089 _Citation_full ; Volkman BF, Nohaile MJ, Amy NK, Kustu S, Wemmer DE. Three-dimensional solution structure of the N-terminal receiver domain of NTRC. Biochemistry. 1995 Jan 31;34(4):1413-24. ; save_