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_