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|
data_4281
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone and Side Chain 1H, 13C, and 15N Chemical Shift Assignments for AbrBN
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bobay Benjamin G. .
2 Andreeva Antonina . .
3 Mueller Geoffrey A. .
4 Cavanagh John . .
4 Murzin Alexey G. .
stop_
_BMRB_accession_number 4281
_BMRB_flat_file_name bmr4281.str
_Entry_type new
_Submission_date 1998-12-10
_Accession_date 1998-12-10
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
'1H chemical shifts' 325
'13C chemical shifts' 238
'15N chemical shifts' 54
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-08-05 update author "update of PDB ID and remove the coupling constants"
2001-01-11 original author "original release"
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_title
;
Revised structure of the AbrB N-terminal domain unifies a diverse superfamily of
putative DNA-binding proteins
;
_Citation_status "in preparation"
_Citation_type journal
_MEDLINE_UI_code ?
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bobay Benjamin G. .
2 Andreeva Antonina . .
3 Mueller Geoffrey A. .
4 Cavanagh John . .
4 Murzin Alexey G. .
stop_
_Journal_abbreviation ?
_Journal_volume ?
_Journal_issue ?
_Page_first ?
_Page_last ?
_Year ?
save_
##################################
# Molecular system description #
##################################
save_system_AbrB
_Saveframe_category molecular_system
_Mol_system_name AbrBN
_Abbreviation_common AbrB
loop_
_Mol_system_component_name
_Mol_label
'AbrBN subunit 1' $AbrBN
'AbrBN subunit 2' $AbrBN
stop_
_System_physical_state native
_System_oligomer_state dimer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Magnetic_equivalence_ID
_Magnetically_equivalent_system_component
1 'AbrBN subunit 1'
1 'AbrBN subunit 2'
stop_
loop_
_Biological_function
'DNA-binding protein'
'gene regulator'
'expression inhibitor'
stop_
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Database_entry_details
PDB 1Z0R . .
stop_
save_
########################
# Monomeric polymers #
########################
save_AbrBN
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common AbrB
_Name_variant AbrBN
_Molecular_mass 6100
_Details
;
N-terminal DNA binding domain, residues 1-53.
Full protein is a hexamer of 94 residue components.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 53
_Mol_residue_sequence
;
MKSTGIVRKVDELGRVVIPI
ELRRTLGIAEKDALEIYVDD
EKIILKKYKPNMT
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LYS 3 SER 4 THR 5 GLY
6 ILE 7 VAL 8 ARG 9 LYS 10 VAL
11 ASP 12 GLU 13 LEU 14 GLY 15 ARG
16 VAL 17 VAL 18 ILE 19 PRO 20 ILE
21 GLU 22 LEU 23 ARG 24 ARG 25 THR
26 LEU 27 GLY 28 ILE 29 ALA 30 GLU
31 LYS 32 ASP 33 ALA 34 LEU 35 GLU
36 ILE 37 TYR 38 VAL 39 ASP 40 ASP
41 GLU 42 LYS 43 ILE 44 ILE 45 LEU
46 LYS 47 LYS 48 TYR 49 LYS 50 PRO
51 ASN 52 MET 53 THR
stop_
_Sequence_homology_query_date 2007-06-14
_Sequence_homology_query_revised_last_date 2007-05-31
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 6478 "Transition state regulatory protein abrB" 100.00 53 100 100 1e-20
PDB 1Z0R "A Chain A, Solution Structure Of TheN-Terminal Dna Recognition Domain Of The BacillusSubtilis Transcription-State Regula" 100.00 53 100 100 8e-22
PDB 1YFB "A Chain A, The Solution Structure Of TheN-Domain Of The Transcription Factor Abrb" 89.83 59 100 100 1e-20
PDB 1YSF "A Chain A, The Solution Structure Of TheN-Domain Of The Transcription Factor Abrb" 89.83 59 100 100 1e-20
DBJ BAA05272.1 "transition state regulatory protein[Bacillus subtilis]" 55.21 96 100 100 8e-22
EMBL CAA43955.1 "abrB [Bacillus subtilis]" 56.38 94 100 100 8e-22
EMBL CAA31307.1 "unnamed protein product [Bacillussubtilis]" 55.21 96 100 100 8e-22
EMBL CAB11813.1 "transcriptional regulator [Bacillussubtilis subsp. subtilis str. 168]" 55.21 96 100 100 8e-22
GenBank AAA22195.1 "abrB protein" 56.38 94 100 100 8e-22
GenBank AAU21685.1 "transcriptional regulator AbrB[Bacillus licheniformis ATCC 14580]" 56.38 94 100 100 8e-22
GenBank AAU39030.1 "AbrB [Bacillus licheniformis DSM 13]" 56.38 94 100 100 8e-22
GenBank EAR74913.1 "Transcriptional regulator AbrB[Bacillus weihenstephanensis KBAB4]" 56.38 94 100 100 8e-22
GenBank ABK83453.1 "transition state transcriptionalregulatory protein [Bacillus thuringiensis str. AlHakam]" 42.06 126 100 100 8e-22
PRF 1715209A "transcription regulator AbrB" 56.38 94 100 100 8e-22
REF YP_077323.1 "transcriptional regulator AbrB[Bacillus licheniformis ATCC 14580]" 56.38 94 100 100 8e-22
REF YP_089723.1 "AbrB [Bacillus licheniformis ATCC14580]" 56.38 94 100 100 8e-22
REF ZP_01185756.1 "Transcriptional regulator AbrB[Bacillus weihenstephanensis KBAB4]" 56.38 94 100 100 8e-22
REF NP_387918.1 "transcriptional regulator [Bacillussubtilis subsp. subtilis str. 168]" 55.21 96 100 100 8e-22
REF YP_892960.1 "transition state transcriptionalregulatory protein [Bacillus thuringiensis str. AlHakam]" 42.06 126 100 100 8e-22
SWISS-PROT P08874 "ABRB_BACSU Transition state regulatoryprotein abrB" 55.21 96 100 100 8e-22
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$AbrBN 'B. subtilis' 1423 Eubacteria . 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
_Variant
_Vector_type
_Vector_name
$AbrBN 'recombinant technology' "E. coli" Escherichia coli BL21 DE3 plasmid pET24
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_one
_Saveframe_category sample
_Sample_type solution
_Details
;
pH 5.8, 15 mM KCl, 20 mM K-PO, 1mM DTT, .02% NaN3
All experiments run at 305 K. Samples were
in 95%H2O/5%D2O.
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$AbrBN . mM 1.5 2.5 '[U-99% 13C; U-99% 15N]'
KCl 15 mM . . .
K-PO 10 mM . . .
DTT 1 mM . . .
NaN3 0.02 % . . .
D20 5 % . . .
H2O 95 % . . .
stop_
save_
save_sample_two
_Saveframe_category sample
_Sample_type solution
_Details
;
pH 5.8, 15 mM KCl, 20 mM K-PO, 1mM DTT, .02% NaN3
All experiments run at 305 K. Samples were
in 99% d2o buffers.
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$AbrBN . mM 1.5 2.5 '[U-99% 13C; U-99% 15N]'
KCl 15 mM . . .
K-PO 10 mM . . .
DTT 1 mM . . .
NaN3 0.02 % . . .
D20 5 % . . .
H2O 95 % . . .
stop_
save_
############################
# Computer software used #
############################
save_software_one
_Saveframe_category software
_Name ARIA
_Version 1.2
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_one
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_NMR_applied_experiment
_Saveframe_category NMR_applied_experiment
_Details
;
1H-15N NOESY (120mS and 150mS mixing time)
1H-13C COESY (120mS and 120mS folded mixing time)
3-D HNCA
3-D HN(CO)CA
3-D HNCO
3-D HN(CA)CO
3-D CBCA(CO)NH
3-D HNCACB
D2O exchange via 2-D 1H-15N HSQC
CC-TOCSY-(CO)NH
H(CC-TOCSY-CO)NH
HCCH-TOCSY
;
save_
#######################
# Sample conditions #
#######################
save_standard_h2o_conditions
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.8 0.1 pH
temperature 305 1 K
stop_
save_
save_standard_d2o_conditions
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH* 5.8 0.1 pH
temperature 305 1 K
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
_Indirect_shift_ratio
_Correction_value_citation_label
H2O H 1 protons ppm . internal direct 1.0 $ref_1
TMS C 13 'methyl protons' ppm 0.00 . indirect 0.25144954 $ref_2
TMS N 15 'methyl protons' ppm 0.00 . indirect 0.1013291444 $ref_2
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# Index Value Definition #
# #
# 1 Unique (geminal atoms and geminal methyl #
# groups with identical chemical shifts #
# are assumed to be assigned to #
# stereospecific atoms) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. Tyr HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. Lys HG and #
# HD protons or Trp HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (Lys 12 vs. Lys 27) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts
_Saveframe_category assigned_chemical_shifts
loop_
_Sample_label
$sample_one
$sample_two
stop_
_Sample_conditions_label $standard_h2o_conditions
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'AbrBN subunit 1'
loop_
_Atom_shift_assign_ID
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 LYS HA H 4.804 . 1
2 2 LYS HB2 H 1.601 . 2
3 2 LYS HB3 H 1.686 . 2
4 2 LYS HG2 H 1.238 . 2
5 2 LYS HG3 H 1.599 . 2
6 2 LYS HD2 H 1.388 . 1
7 2 LYS HD3 H 1.388 . 1
8 2 LYS HE2 H 2.882 . 1
9 2 LYS HE3 H 2.882 . 1
10 2 LYS C C 177.469 . 1
11 2 LYS CA C 53.131 . 1
12 2 LYS CB C 31.740 . 1
13 2 LYS CG C 26.745 . 1
14 2 LYS CD C 21.752 . 1
15 2 LYS CE C 39.322 . 1
16 3 SER H H 8.760 . 1
17 3 SER HA H 4.188 . 1
18 3 SER HB2 H 3.684 . 2
19 3 SER HB3 H 3.709 . 2
20 3 SER C C 176.954 . 1
21 3 SER CA C 55.762 . 1
22 3 SER CB C 61.034 . 1
23 3 SER N N 118.691 . 1
24 4 THR H H 8.263 . 1
25 4 THR HA H 4.209 . 1
26 4 THR HB H 4.191 . 1
27 4 THR HG2 H 1.184 . 1
28 4 THR C C 177.495 . 1
29 4 THR CA C 59.898 . 1
30 4 THR CB C 67.745 . 1
31 4 THR CG2 C 19.169 . 1
32 4 THR N N 114.931 . 1
33 5 GLY H H 8.788 . 1
34 5 GLY HA2 H 3.883 . 1
35 5 GLY HA3 H 3.883 . 1
36 5 GLY C C 174.899 . 1
37 5 GLY CA C 42.625 . 1
38 5 GLY N N 111.273 . 1
39 6 ILE H H 8.380 . 1
40 6 ILE HA H 4.087 . 1
41 6 ILE HB H 1.748 . 1
42 6 ILE HG12 H 1.161 . 1
43 6 ILE HG13 H 1.460 . 1
44 6 ILE HG2 H 0.716 . 1
45 6 ILE HD1 H 0.772 . 1
46 6 ILE C C 176.156 . 1
47 6 ILE CA C 58.435 . 1
48 6 ILE CB C 36.458 . 1
49 6 ILE CG1 C 24.465 . 2
50 6 ILE CG2 C 15.409 . 1
51 6 ILE CD1 C 10.633 . 1
52 6 ILE N N 122.181 . 1
53 7 VAL H H 8.139 . 1
54 7 VAL HA H 4.906 . 1
55 7 VAL HB H 1.549 . 1
56 7 VAL HG1 H 0.239 . 2
57 7 VAL HG2 H 0.361 . 2
58 7 VAL C C 179.027 . 1
59 7 VAL CA C 58.123 . 1
60 7 VAL CB C 30.686 . 1
61 7 VAL CG1 C 17.932 . 1
62 7 VAL CG2 C 18.964 . 1
63 7 VAL N N 126.219 . 1
64 8 ARG H H 9.116 . 1
65 8 ARG HA H 4.735 . 1
66 8 ARG HB2 H 1.508 . 2
67 8 ARG HB3 H 1.971 . 2
68 8 ARG HG2 H 1.338 . 2
69 8 ARG HG3 H 1.739 . 2
70 8 ARG HD2 H 3.184 . 2
71 8 ARG HD3 H 3.470 . 2
72 8 ARG HE H 7.120 . 1
73 8 ARG C C 176.215 . 1
74 8 ARG CA C 50.296 . 1
75 8 ARG CB C 32.551 . 1
76 8 ARG CG C 24.043 . 1
77 8 ARG CD C 40.464 . 1
78 8 ARG N N 126.942 . 1
79 8 ARG NE N 84.500 . 1
80 9 LYS H H 8.490 . 1
81 9 LYS HA H 4.876 . 1
82 9 LYS HB2 H 1.593 . 1
83 9 LYS HB3 H 1.593 . 1
84 9 LYS HG2 H 1.370 . 1
85 9 LYS HG3 H 1.370 . 1
86 9 LYS HD2 H 1.230 . 1
87 9 LYS HD3 H 1.230 . 1
88 9 LYS HE2 H 2.930 . 1
89 9 LYS HE3 H 2.930 . 1
90 9 LYS C C 178.309 . 1
91 9 LYS CA C 52.603 . 1
92 9 LYS CB C 31.725 . 1
93 9 LYS CG C 26.530 . 1
94 9 LYS CD C 22.744 . 1
95 9 LYS CE C 39.299 . 1
96 9 LYS N N 119.452 . 1
97 10 VAL H H 8.304 . 1
98 10 VAL HA H 4.225 . 1
99 10 VAL HB H 1.857 . 1
100 10 VAL HG1 H 0.858 . 2
101 10 VAL HG2 H 0.750 . 2
102 10 VAL C C 176.695 . 1
103 10 VAL CA C 58.787 . 1
104 10 VAL CB C 31.761 . 1
105 10 VAL CG1 C 18.709 . 1
106 10 VAL CG2 C 18.709 . 1
107 10 VAL N N 121.420 . 1
108 11 ASP H H 8.511 . 1
109 11 ASP HA H 4.737 . 1
110 11 ASP HB2 H 2.714 . 2
111 11 ASP HB3 H 3.296 . 2
112 11 ASP C C 179.483 . 1
113 11 ASP CA C 50.205 . 1
114 11 ASP CB C 38.405 . 1
115 11 ASP N N 127.070 . 1
116 12 GLU H H 9.425 . 1
117 12 GLU HA H 4.014 . 1
118 12 GLU HB2 H 1.990 . 2
119 12 GLU HB3 H 2.037 . 2
120 12 GLU HG2 H 2.350 . 2
121 12 GLU HG3 H 2.293 . 2
122 12 GLU C C 178.796 . 1
123 12 GLU CA C 56.485 . 1
124 12 GLU CB C 25.885 . 1
125 12 GLU CG C 33.208 . 1
126 12 GLU N N 116.139 . 1
127 13 LEU H H 8.225 . 1
128 13 LEU HA H 4.423 . 1
129 13 LEU HB2 H 1.450 . 2
130 13 LEU HB3 H 1.523 . 2
131 13 LEU HG H 1.496 . 1
132 13 LEU HD1 H 0.773 . 2
133 13 LEU HD2 H 0.762 . 2
134 13 LEU C C 178.513 . 1
135 13 LEU CA C 51.578 . 1
136 13 LEU CB C 39.750 . 1
137 13 LEU CG C 24.973 . 1
138 13 LEU CD1 C 21.992 . 1
139 13 LEU CD2 C 20.445 . 1
140 13 LEU N N 121.643 . 1
141 14 GLY H H 8.108 . 1
142 14 GLY HA2 H 3.200 . 2
143 14 GLY HA3 H 4.080 . 2
144 14 GLY C C 178.153 . 1
145 14 GLY CA C 43.195 . 1
146 14 GLY N N 107.637 . 1
147 15 ARG H H 8.398 . 1
148 15 ARG HA H 5.139 . 1
149 15 ARG HB2 H 1.170 . 2
150 15 ARG HB3 H 2.124 . 2
151 15 ARG HG2 H 1.341 . 2
152 15 ARG HG3 H 1.510 . 2
153 15 ARG HD2 H 2.630 . 2
154 15 ARG HD3 H 3.188 . 2
155 15 ARG HE H 8.900 . 1
156 15 ARG C C 178.550 . 1
157 15 ARG CA C 52.530 . 1
158 15 ARG CB C 29.354 . 1
159 15 ARG CG C 24.432 . 1
160 15 ARG CD C 40.255 . 1
161 15 ARG N N 117.447 . 1
162 15 ARG NE N 84.400 . 1
163 16 VAL H H 8.307 . 1
164 16 VAL HA H 4.501 . 1
165 16 VAL HB H 1.602 . 1
166 16 VAL HG1 H 0.656 . 2
167 16 VAL HG2 H 0.702 . 2
168 16 VAL C C 176.831 . 1
169 16 VAL CA C 56.432 . 1
170 16 VAL CB C 33.298 . 1
171 16 VAL CG1 C 17.156 . 1
172 16 VAL CG2 C 18.466 . 1
173 16 VAL N N 117.958 . 1
174 17 VAL H H 8.079 . 1
175 17 VAL HA H 3.718 . 1
176 17 VAL HB H 1.792 . 1
177 17 VAL HG1 H 0.744 . 2
178 17 VAL HG2 H 0.856 . 2
179 17 VAL C C 178.585 . 1
180 17 VAL CA C 59.516 . 1
181 17 VAL CB C 30.068 . 1
182 17 VAL CG1 C 18.800 . 1
183 17 VAL CG2 C 19.600 . 1
184 17 VAL N N 125.478 . 1
185 18 ILE H H 8.480 . 1
186 18 ILE HA H 4.236 . 1
187 18 ILE HB H 1.847 . 1
188 18 ILE HG12 H 1.175 . 1
189 18 ILE HG13 H 1.375 . 1
190 18 ILE HG2 H 0.762 . 1
191 18 ILE HD1 H 0.539 . 1
192 18 ILE CA C 54.641 . 1
193 18 ILE CB C 34.382 . 1
194 18 ILE CG1 C 24.100 . 2
195 18 ILE CG2 C 15.787 . 1
196 18 ILE CD1 C 9.155 . 1
197 18 ILE N N 127.200 . 1
198 19 PRO HA H 4.372 . 1
199 19 PRO HB2 H 1.837 . 2
200 19 PRO HB3 H 2.623 . 2
201 19 PRO HG2 H 1.900 . 2
202 19 PRO HG3 H 1.947 . 2
203 19 PRO HD2 H 3.374 . 1
204 19 PRO HD3 H 3.374 . 1
205 19 PRO C C 179.797 . 1
206 19 PRO CA C 60.893 . 1
207 19 PRO CB C 30.282 . 1
208 19 PRO CG C 25.287 . 1
209 19 PRO CD C 48.160 . 1
210 20 ILE H H 8.941 . 1
211 20 ILE HA H 3.822 . 1
212 20 ILE HB H 1.825 . 1
213 20 ILE HG12 H 1.270 . 1
214 20 ILE HG13 H 1.270 . 1
215 20 ILE HG2 H 0.913 . 1
216 20 ILE HD1 H 0.883 . 1
217 20 ILE C C 177.531 . 1
218 20 ILE CA C 61.126 . 1
219 20 ILE CB C 35.742 . 1
220 20 ILE CG1 C 26.839 . 2
221 20 ILE CG2 C 14.553 . 1
222 20 ILE CD1 C 11.213 . 1
223 20 ILE N N 126.938 . 1
224 21 GLU H H 9.816 . 1
225 21 GLU HA H 3.964 . 1
226 21 GLU HB2 H 1.932 . 1
227 21 GLU HB3 H 1.932 . 1
228 21 GLU HG2 H 2.221 . 2
229 21 GLU HG3 H 2.351 . 2
230 21 GLU C C 180.909 . 1
231 21 GLU CA C 57.755 . 1
232 21 GLU CB C 25.764 . 1
233 21 GLU CG C 33.792 . 1
234 21 GLU N N 121.405 . 1
235 22 LEU H H 7.118 . 1
236 22 LEU HA H 4.216 . 1
237 22 LEU HB2 H 1.338 . 2
238 22 LEU HB3 H 1.641 . 2
239 22 LEU HG H 1.590 . 1
240 22 LEU HD1 H 0.794 . 2
241 22 LEU HD2 H 0.798 . 2
242 22 LEU C C 180.359 . 1
243 22 LEU CA C 54.327 . 1
244 22 LEU CB C 38.701 . 1
245 22 LEU CG C 25.271 . 1
246 22 LEU CD1 C 22.772 . 1
247 22 LEU CD2 C 20.793 . 1
248 22 LEU N N 117.115 . 1
249 23 ARG H H 7.568 . 1
250 23 ARG HA H 3.688 . 1
251 23 ARG HB2 H 1.970 . 2
252 23 ARG HB3 H 2.156 . 2
253 23 ARG HG2 H 1.137 . 2
254 23 ARG HG3 H 1.564 . 2
255 23 ARG HD2 H 3.071 . 2
256 23 ARG HD3 H 3.182 . 2
257 23 ARG HE H 6.900 . 1
258 23 ARG C C 180.412 . 1
259 23 ARG CA C 58.534 . 1
260 23 ARG CB C 27.100 . 1
261 23 ARG CG C 26.754 . 1
262 23 ARG CD C 40.998 . 1
263 23 ARG N N 117.465 . 1
264 23 ARG NE N 81.900 . 1
265 24 ARG H H 8.690 . 1
266 24 ARG HA H 4.074 . 1
267 24 ARG HB2 H 1.808 . 1
268 24 ARG HB3 H 1.808 . 1
269 24 ARG HG2 H 1.600 . 2
270 24 ARG HG3 H 1.701 . 2
271 24 ARG HD2 H 3.107 . 1
272 24 ARG HD3 H 3.107 . 1
273 24 ARG HE H 7.200 . 1
274 24 ARG C C 181.607 . 1
275 24 ARG CA C 56.713 . 1
276 24 ARG CB C 27.364 . 1
277 24 ARG CG C 24.836 . 1
278 24 ARG CD C 40.780 . 1
279 24 ARG N N 117.593 . 1
280 24 ARG NE N 84.400 . 1
281 25 THR H H 7.588 . 1
282 25 THR HA H 3.964 . 1
283 25 THR HB H 4.201 . 1
284 25 THR HG2 H 1.256 . 1
285 25 THR C C 177.169 . 1
286 25 THR CA C 63.621 . 1
287 25 THR CB C 66.370 . 1
288 25 THR CG2 C 19.024 . 1
289 25 THR N N 115.278 . 1
290 26 LEU H H 7.387 . 1
291 26 LEU HA H 4.369 . 1
292 26 LEU HB2 H 1.531 . 2
293 26 LEU HB3 H 1.626 . 2
294 26 LEU HG H 1.650 . 1
295 26 LEU HD1 H 0.751 . 2
296 26 LEU HD2 H 0.761 . 2
297 26 LEU C C 178.712 . 1
298 26 LEU CA C 52.271 . 1
299 26 LEU CB C 40.387 . 1
300 26 LEU CG C 25.213 . 1
301 26 LEU CD1 C 22.840 . 1
302 26 LEU CD2 C 20.496 . 1
303 26 LEU N N 118.354 . 1
304 27 GLY H H 7.695 . 1
305 27 GLY HA2 H 3.826 . 2
306 27 GLY HA3 H 3.870 . 2
307 27 GLY C C 176.181 . 1
308 27 GLY CA C 44.512 . 1
309 27 GLY N N 109.556 . 1
310 28 ILE H H 8.174 . 1
311 28 ILE HA H 4.179 . 1
312 28 ILE HB H 1.499 . 1
313 28 ILE HG12 H 1.504 . 1
314 28 ILE HG13 H 1.504 . 1
315 28 ILE HG2 H 0.790 . 1
316 28 ILE HD1 H 0.741 . 1
317 28 ILE C C 176.039 . 1
318 28 ILE CA C 58.022 . 1
319 28 ILE CB C 36.346 . 1
320 28 ILE CG1 C 24.808 . 2
321 28 ILE CG2 C 15.553 . 1
322 28 ILE CD1 C 11.199 . 1
323 28 ILE N N 119.528 . 1
324 29 ALA H H 9.472 . 1
325 29 ALA HA H 4.431 . 1
326 29 ALA HB H 1.349 . 1
327 29 ALA C C 178.860 . 1
328 29 ALA CA C 47.833 . 1
329 29 ALA CB C 18.659 . 1
330 29 ALA N N 110.840 . 1
331 30 GLU H H 8.584 . 1
332 30 GLU HA H 3.698 . 1
333 30 GLU HB2 H 1.861 . 2
334 30 GLU HB3 H 1.942 . 2
335 30 GLU HG2 H 2.097 . 2
336 30 GLU HG3 H 2.294 . 2
337 30 GLU C C 178.852 . 1
338 30 GLU CA C 56.753 . 1
339 30 GLU CB C 26.634 . 1
340 30 GLU CG C 33.700 . 1
341 30 GLU N N 119.415 . 1
342 31 LYS H H 8.222 . 1
343 31 LYS HA H 4.107 . 1
344 31 LYS HB2 H 1.980 . 2
345 31 LYS HB3 H 2.104 . 2
346 31 LYS HG2 H 1.607 . 2
347 31 LYS HG3 H 1.690 . 2
348 31 LYS HD2 H 1.351 . 1
349 31 LYS HD3 H 1.351 . 1
350 31 LYS HE2 H 2.923 . 1
351 31 LYS HE3 H 2.923 . 1
352 31 LYS C C 177.609 . 1
353 31 LYS CA C 55.551 . 1
354 31 LYS CB C 28.132 . 1
355 31 LYS CG C 26.520 . 1
356 31 LYS CD C 22.985 . 1
357 31 LYS CE C 30.477 . 1
358 31 LYS N N 115.560 . 1
359 32 ASP H H 7.781 . 1
360 32 ASP HA H 4.623 . 1
361 32 ASP HB2 H 2.483 . 2
362 32 ASP HB3 H 2.950 . 2
363 32 ASP C C 176.706 . 1
364 32 ASP CA C 52.790 . 1
365 32 ASP CB C 39.124 . 1
366 32 ASP N N 119.951 . 1
367 33 ALA H H 8.548 . 1
368 33 ALA HA H 4.621 . 1
369 33 ALA HB H 1.299 . 1
370 33 ALA C C 177.831 . 1
371 33 ALA CA C 48.426 . 1
372 33 ALA CB C 18.138 . 1
373 33 ALA N N 121.496 . 1
374 34 LEU H H 9.016 . 1
375 34 LEU HA H 5.015 . 1
376 34 LEU HB2 H 1.170 . 2
377 34 LEU HB3 H 1.570 . 2
378 34 LEU HG H 1.600 . 1
379 34 LEU HD1 H 0.636 . 2
380 34 LEU HD2 H 0.640 . 2
381 34 LEU C C 176.432 . 1
382 34 LEU CA C 50.509 . 1
383 34 LEU CB C 41.318 . 1
384 34 LEU CG C 24.093 . 1
385 34 LEU CD1 C 24.100 . 1
386 34 LEU CD2 C 20.607 . 1
387 34 LEU N N 121.358 . 1
388 35 GLU H H 9.428 . 1
389 35 GLU HA H 4.743 . 1
390 35 GLU HB2 H 1.841 . 2
391 35 GLU HB3 H 2.060 . 2
392 35 GLU HG2 H 1.972 . 1
393 35 GLU HG3 H 1.972 . 1
394 35 GLU C C 177.033 . 1
395 35 GLU CA C 52.469 . 1
396 35 GLU CB C 29.790 . 1
397 35 GLU CG C 33.631 . 1
398 35 GLU N N 123.379 . 1
399 36 ILE H H 8.373 . 1
400 36 ILE HA H 5.107 . 1
401 36 ILE HB H 1.601 . 1
402 36 ILE HG12 H 1.606 . 1
403 36 ILE HG13 H 1.606 . 1
404 36 ILE HG2 H 0.638 . 1
405 36 ILE HD1 H 0.689 . 1
406 36 ILE C C 177.525 . 1
407 36 ILE CA C 58.390 . 1
408 36 ILE CB C 36.419 . 1
409 36 ILE CG1 C 36.100 . 2
410 36 ILE CG2 C 11.349 . 1
411 36 ILE CD1 C 15.041 . 1
412 36 ILE N N 122.969 . 1
413 37 TYR H H 9.590 . 1
414 37 TYR HA H 5.045 . 1
415 37 TYR HB2 H 2.858 . 2
416 37 TYR HB3 H 2.963 . 2
417 37 TYR C C 175.168 . 1
418 37 TYR CA C 53.646 . 1
419 37 TYR CB C 38.447 . 1
420 37 TYR N N 127.104 . 1
421 38 VAL H H 8.680 . 1
422 38 VAL HA H 5.053 . 1
423 38 VAL HB H 1.949 . 1
424 38 VAL HG1 H 0.904 . 2
425 38 VAL HG2 H 0.900 . 2
426 38 VAL C C 176.831 . 1
427 38 VAL CA C 57.599 . 1
428 38 VAL CB C 32.467 . 1
429 38 VAL CG1 C 19.038 . 1
430 38 VAL CG2 C 19.038 . 1
431 38 VAL N N 116.566 . 1
432 39 ASP H H 8.535 . 1
433 39 ASP HA H 4.759 . 1
434 39 ASP HB2 H 2.551 . 1
435 39 ASP HB3 H 2.551 . 1
436 39 ASP C C 176.951 . 1
437 39 ASP CA C 51.041 . 1
438 39 ASP CB C 41.147 . 1
439 39 ASP N N 125.422 . 1
440 40 ASP H H 8.822 . 1
441 40 ASP HA H 4.141 . 1
442 40 ASP HB2 H 2.618 . 2
443 40 ASP HB3 H 2.816 . 2
444 40 ASP C C 177.469 . 1
445 40 ASP CA C 54.063 . 1
446 40 ASP CB C 36.974 . 1
447 40 ASP N N 123.683 . 1
448 41 GLU H H 8.831 . 1
449 41 GLU HA H 4.205 . 1
450 41 GLU HB2 H 2.134 . 2
451 41 GLU HB3 H 2.194 . 2
452 41 GLU HG2 H 2.138 . 1
453 41 GLU HG3 H 2.138 . 1
454 41 GLU C C 176.031 . 1
455 41 GLU CA C 54.221 . 1
456 41 GLU CB C 26.629 . 1
457 41 GLU CG C 33.943 . 1
458 41 GLU N N 118.692 . 1
459 42 LYS H H 8.004 . 1
460 42 LYS HA H 4.739 . 1
461 42 LYS HB2 H 1.508 . 2
462 42 LYS HB3 H 1.975 . 2
463 42 LYS HG2 H 1.600 . 1
464 42 LYS HG3 H 1.600 . 1
465 42 LYS HD2 H 1.333 . 1
466 42 LYS HD3 H 1.333 . 1
467 42 LYS HE2 H 2.901 . 1
468 42 LYS HE3 H 2.901 . 1
469 42 LYS C C 176.537 . 1
470 42 LYS CA C 52.523 . 1
471 42 LYS CB C 32.017 . 1
472 42 LYS CG C 26.544 . 1
473 42 LYS CD C 21.199 . 1
474 42 LYS CE C 38.659 . 1
475 42 LYS N N 118.263 . 1
476 43 ILE H H 8.616 . 1
477 43 ILE HA H 4.383 . 1
478 43 ILE HB H 1.607 . 1
479 43 ILE HG12 H 1.600 . 1
480 43 ILE HG13 H 1.600 . 1
481 43 ILE HG2 H 0.711 . 1
482 43 ILE HD1 H 0.577 . 1
483 43 ILE C C 175.446 . 1
484 43 ILE CA C 58.085 . 1
485 43 ILE CB C 36.755 . 1
486 43 ILE CG1 C 25.526 . 2
487 43 ILE CG2 C 15.358 . 1
488 43 ILE CD1 C 11.171 . 1
489 43 ILE N N 120.141 . 1
490 44 ILE H H 8.988 . 1
491 44 ILE HA H 4.795 . 1
492 44 ILE HB H 1.040 . 1
493 44 ILE HG12 H 0.985 . 1
494 44 ILE HG13 H 1.182 . 1
495 44 ILE HG2 H 0.624 . 1
496 44 ILE HD1 H 0.663 . 1
497 44 ILE C C 175.966 . 1
498 44 ILE CA C 57.042 . 1
499 44 ILE CB C 37.072 . 1
500 44 ILE CG1 C 26.337 . 2
501 44 ILE CG2 C 16.300 . 1
502 44 ILE CD1 C 12.076 . 1
503 44 ILE N N 127.837 . 1
504 45 LEU H H 9.420 . 1
505 45 LEU HA H 5.401 . 1
506 45 LEU HB2 H 1.166 . 2
507 45 LEU HB3 H 1.680 . 2
508 45 LEU HG H 1.554 . 1
509 45 LEU HD1 H 0.630 . 2
510 45 LEU HD2 H 0.610 . 2
511 45 LEU C C 177.356 . 1
512 45 LEU CA C 50.779 . 1
513 45 LEU CB C 41.538 . 1
514 45 LEU CG C 25.300 . 1
515 45 LEU CD1 C 23.400 . 1
516 45 LEU CD2 C 23.400 . 1
517 45 LEU N N 124.494 . 1
518 46 LYS H H 8.613 . 1
519 46 LYS HA H 4.776 . 1
520 46 LYS HB2 H 1.725 . 2
521 46 LYS HB3 H 1.895 . 2
522 46 LYS HG2 H 1.360 . 1
523 46 LYS HG3 H 1.360 . 1
524 46 LYS HD2 H 1.501 . 1
525 46 LYS HD3 H 1.501 . 1
526 46 LYS HE2 H 2.853 . 1
527 46 LYS HE3 H 2.853 . 1
528 46 LYS C C 176.922 . 1
529 46 LYS CA C 51.500 . 1
530 46 LYS CB C 34.200 . 1
531 46 LYS CG C 26.950 . 1
532 46 LYS CD C 21.596 . 1
533 46 LYS CE C 38.959 . 1
534 46 LYS N N 118.620 . 1
535 47 LYS H H 9.253 . 1
536 47 LYS HA H 4.182 . 1
537 47 LYS HB2 H 1.600 . 2
538 47 LYS HB3 H 1.821 . 2
539 47 LYS HG2 H 1.617 . 2
540 47 LYS HG3 H 1.452 . 2
541 47 LYS HD2 H 1.313 . 1
542 47 LYS HD3 H 1.313 . 1
543 47 LYS HE2 H 2.926 . 1
544 47 LYS HE3 H 2.926 . 1
545 47 LYS C C 178.026 . 1
546 47 LYS CA C 56.400 . 1
547 47 LYS CB C 29.700 . 1
548 47 LYS CG C 26.968 . 1
549 47 LYS CD C 23.294 . 1
550 47 LYS CE C 39.493 . 1
551 47 LYS N N 123.651 . 1
552 48 TYR H H 8.584 . 1
553 48 TYR HA H 4.566 . 1
554 48 TYR HB2 H 2.740 . 2
555 48 TYR HB3 H 2.697 . 2
556 48 TYR C C 175.903 . 1
557 48 TYR CA C 55.200 . 1
558 48 TYR CB C 36.800 . 1
559 48 TYR N N 126.965 . 1
560 49 LYS H H 8.096 . 1
561 49 LYS HA H 4.429 . 1
562 49 LYS HB2 H 1.492 . 2
563 49 LYS HB3 H 1.616 . 2
564 49 LYS HG2 H 1.601 . 1
565 49 LYS HG3 H 1.601 . 1
566 49 LYS HD2 H 1.230 . 1
567 49 LYS HD3 H 1.230 . 1
568 49 LYS HE2 H 2.910 . 1
569 49 LYS HE3 H 2.910 . 1
570 49 LYS CA C 50.700 . 1
571 49 LYS CB C 30.600 . 1
572 49 LYS CG C 26.600 . 1
573 49 LYS CD C 21.500 . 1
574 49 LYS CE C 39.900 . 1
575 49 LYS N N 129.273 . 1
576 50 PRO HA H 4.149 . 1
577 50 PRO HB2 H 1.826 . 2
578 50 PRO HB3 H 2.113 . 2
579 50 PRO HG2 H 1.823 . 1
580 50 PRO HG3 H 1.823 . 1
581 50 PRO HD2 H 2.978 . 2
582 50 PRO HD3 H 3.408 . 2
583 50 PRO C C 178.153 . 1
584 50 PRO CA C 60.300 . 1
585 50 PRO CB C 29.200 . 1
586 50 PRO CG C 24.240 . 1
587 50 PRO CD C 47.577 . 1
588 51 ASN H H 8.372 . 1
589 51 ASN HA H 4.569 . 1
590 51 ASN HB2 H 2.742 . 2
591 51 ASN HB3 H 2.780 . 2
592 51 ASN HD21 H 7.567 . 2
593 51 ASN HD22 H 6.887 . 2
594 51 ASN C C 176.655 . 1
595 51 ASN CA C 50.900 . 1
596 51 ASN CB C 36.100 . 1
597 51 ASN N N 117.769 . 1
598 51 ASN ND2 N 112.886 . 1
599 52 MET H H 8.249 . 1
600 52 MET HA H 4.496 . 1
601 52 MET HB2 H 1.950 . 2
602 52 MET HB3 H 2.130 . 2
603 52 MET HG2 H 2.470 . 2
604 52 MET HG3 H 2.516 . 2
605 52 MET C C 177.143 . 1
606 52 MET CA C 51.700 . 1
607 52 MET CB C 37.300 . 1
608 52 MET CG C 24.810 . 1
609 52 MET N N 120.664 . 1
610 53 THR H H 7.707 . 1
611 53 THR HA H 4.089 . 1
612 53 THR HB H 4.167 . 1
613 53 THR HG2 H 1.108 . 1
614 53 THR CA C 60.700 . 1
615 53 THR CB C 68.100 . 1
616 53 THR CG2 C 19.400 . 1
617 53 THR N N 119.751 . 1
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Hartel et al, Eur. J. Biochem v. 129, 343-357 (1982) and
Orbons, et al, IBID, v 170, 225-239 (1987).
;
save_
save_ref_2
_Saveframe_category citation
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Live, D.H. et al, JACS, v. 106, 1939-1941 (1984)
and Bax and Subramanian, J. Mag. Res., v. 67, 565-569 (1986)
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