data_6432
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana
At2g23090
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tyler Robert C. .
stop_
_BMRB_accession_number 6432
_BMRB_flat_file_name bmr6432.str
_Entry_type new
_Submission_date 2004-12-14
_Accession_date 2004-12-14
_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' 353
'13C chemical shifts' 307
'15N chemical shifts' 79
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_title
;
NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana
At2g23090
;
_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 Tyler Robert C. .
2 Tonelli M. . .
3 Lee M. . .
4 Markley J. L. .
stop_
_Journal_abbreviation "J. Biomol. NMR"
_Journal_volume ?
_Journal_issue ?
_Page_first ?
_Page_last ?
_Year ?
loop_
_Keyword
"Protein Structure Initiative"
stop_
save_
##################################
# Molecular system description #
##################################
save_At2g23090_monomer
_Saveframe_category molecular_system
_Mol_system_name "At2g23090 monomer"
_Abbreviation_common "At2g23090 monomer"
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
"At2g23090 unit 1" $At2g23090
stop_
_System_physical_state native
_System_oligomer_state "At2g23090 monomer"
_System_paramagnetic no
_System_thiol_state 'not reported'
save_
########################
# Monomeric polymers #
########################
save_At2g23090
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common "At2g23090 monomer"
_Name_variant .
_Abbreviation_common At2g23090
_Mol_thiol_state 'not reported'
##############################
# Polymer residue sequence #
##############################
_Residue_count 86
_Mol_residue_sequence
;
GHHHHHHLEGGGNAQKSAMA
RAKNLEKAKAAGKGSQLEAN
KKAMSIQCKVCMQTFICTTS
EVKCREHAEAKHPKADVVAC
FPHLKK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 HIS 3 HIS 4 HIS 5 HIS
6 HIS 7 HIS 8 LEU 9 GLU 10 GLY
11 GLY 12 GLY 13 ASN 14 ALA 15 GLN
16 LYS 17 SER 18 ALA 19 MET 20 ALA
21 ARG 22 ALA 23 LYS 24 ASN 25 LEU
26 GLU 27 LYS 28 ALA 29 LYS 30 ALA
31 ALA 32 GLY 33 LYS 34 GLY 35 SER
36 GLN 37 LEU 38 GLU 39 ALA 40 ASN
41 LYS 42 LYS 43 ALA 44 MET 45 SER
46 ILE 47 GLN 48 CYS 49 LYS 50 VAL
51 CYS 52 MET 53 GLN 54 THR 55 PHE
56 ILE 57 CYS 58 THR 59 THR 60 SER
61 GLU 62 VAL 63 LYS 64 CYS 65 ARG
66 GLU 67 HIS 68 ALA 69 GLU 70 ALA
71 LYS 72 HIS 73 PRO 74 LYS 75 ALA
76 ASP 77 VAL 78 VAL 79 ALA 80 CYS
81 PHE 82 PRO 83 HIS 84 LEU 85 LYS
86 LYS
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$At2g23090
'thale cress'
3702
Eukaryota
Viridiplantae
Arabidopsis
thaliana
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
$At2g23090
'cell-free'
'wheat germ'
.
.
.
.
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
$At2g23090 . mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 900
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
save_
#######################
# Sample conditions #
#######################
save_EX-cond_1
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.8 0.2 n/a
temperature 298 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
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
H2O H 1 methylene ppm 4.7 internal direct spherical internal parallel 13.46382
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_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# Index Value Definition #
# #
# 1 Unique #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups #
# 3 Aromatic atoms on opposite sides of the ring #
# (e.g. Tyr HE1 and HE2 protons) #
# 4 Intraresidue ambiguities (e.g. Lys HG and #
# HD protons) #
# 5 Interresidue ambiguities (Lys 12 vs. Lys 27) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_shift_set_1
_Saveframe_category assigned_chemical_shifts
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $EX-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name "At2g23090 unit 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 7 HIS CA C 56.015 . 1
2 7 HIS CB C 29.815 . 1
3 8 LEU N N 124.162 . 1
4 8 LEU H H 8.356 . 1
5 8 LEU CA C 55.047 . 1
6 8 LEU HA H 4.313 . 1
7 8 LEU CB C 42.281 . 1
8 8 LEU HB2 H 1.546 . 2
9 8 LEU CG C 26.848 . 1
10 8 LEU HG H 1.448 . 1
11 8 LEU CD1 C 23.576 . 1
12 8 LEU HD1 H 0.849 . 2
13 8 LEU CD2 C 24.913 . 1
14 8 LEU HD2 H 0.862 . 2
15 8 LEU C C 177.137 . 1
16 9 GLU N N 122.481 . 1
17 9 GLU H H 8.491 . 1
18 9 GLU CA C 56.664 . 1
19 9 GLU HA H 4.289 . 1
20 9 GLU CB C 30.212 . 1
21 9 GLU HB3 H 2.064 . 2
22 9 GLU HB2 H 1.961 . 2
23 9 GLU CG C 36.069 . 1
24 9 GLU HG2 H 2.274 . 2
25 9 GLU C C 177.016 . 1
26 10 GLY N N 110.412 . 1
27 10 GLY H H 8.490 . 1
28 10 GLY CA C 45.402 . 1
29 10 GLY HA2 H 3.980 . 2
30 10 GLY C C 174.833 . 1
31 11 GLY N N 108.709 . 1
32 11 GLY H H 8.339 . 1
33 11 GLY CA C 45.357 . 1
34 11 GLY HA2 H 3.976 . 2
35 11 GLY C C 174.939 . 1
36 12 GLY N N 108.766 . 1
37 12 GLY H H 8.363 . 1
38 12 GLY CA C 45.428 . 1
39 12 GLY HA2 H 3.950 . 2
40 12 GLY C C 174.253 . 1
41 13 ASN N N 118.847 . 1
42 13 ASN H H 8.372 . 1
43 13 ASN CA C 53.533 . 1
44 13 ASN HA H 4.678 . 1
45 13 ASN CB C 38.886 . 1
46 13 ASN HB2 H 2.796 . 2
47 13 ASN C C 175.543 . 1
48 14 ALA N N 124.403 . 1
49 14 ALA H H 8.340 . 1
50 14 ALA CA C 53.348 . 1
51 14 ALA HA H 4.254 . 1
52 14 ALA CB C 18.890 . 1
53 14 ALA HB H 1.393 . 1
54 14 ALA C C 178.261 . 1
55 15 GLN N N 119.044 . 1
56 15 GLN H H 8.271 . 1
57 15 GLN CA C 56.565 . 1
58 15 GLN HA H 4.256 . 1
59 15 GLN CB C 28.997 . 1
60 15 GLN HB2 H 2.062 . 2
61 15 GLN CG C 33.869 . 1
62 15 GLN HG2 H 2.379 . 2
63 15 GLN C C 176.704 . 1
64 16 LYS N N 121.977 . 1
65 16 LYS H H 8.250 . 1
66 16 LYS CA C 57.225 . 1
67 16 LYS HA H 4.252 . 1
68 16 LYS CB C 32.828 . 1
69 16 LYS HB2 H 1.825 . 2
70 16 LYS CG C 24.892 . 1
71 16 LYS HG2 H 1.453 . 2
72 16 LYS CD C 29.060 . 1
73 16 LYS HD2 H 1.697 . 2
74 16 LYS CE C 42.337 . 1
75 16 LYS HE2 H 2.990 . 2
76 16 LYS C C 177.429 . 1
77 17 SER N N 116.407 . 1
78 17 SER H H 8.270 . 1
79 17 SER CA C 58.963 . 1
80 17 SER HA H 4.376 . 1
81 17 SER CB C 63.630 . 1
82 17 SER HB2 H 3.905 . 2
83 17 SER C C 174.961 . 1
84 18 ALA N N 125.743 . 1
85 18 ALA H H 8.294 . 1
86 18 ALA CA C 53.520 . 1
87 18 ALA HA H 4.251 . 1
88 18 ALA CB C 18.809 . 1
89 18 ALA HB H 1.428 . 1
90 18 ALA C C 178.693 . 1
91 19 MET N N 118.786 . 1
92 19 MET H H 8.183 . 1
93 19 MET CA C 56.346 . 1
94 19 MET HA H 4.357 . 1
95 19 MET CB C 32.649 . 1
96 19 MET HB3 H 2.598 . 2
97 19 MET HB2 H 2.061 . 2
98 19 MET C C 176.711 . 1
99 20 ALA N N 124.451 . 1
100 20 ALA H H 8.091 . 1
101 20 ALA CA C 53.277 . 1
102 20 ALA HA H 4.243 . 1
103 20 ALA CB C 18.849 . 1
104 20 ALA HB H 1.413 . 1
105 20 ALA C C 178.321 . 1
106 21 ARG N N 119.683 . 1
107 21 ARG H H 8.128 . 1
108 21 ARG CA C 56.814 . 1
109 21 ARG HA H 4.234 . 1
110 21 ARG CB C 30.671 . 1
111 21 ARG HB2 H 1.828 . 2
112 21 ARG CG C 27.316 . 1
113 21 ARG HG2 H 1.667 . 2
114 21 ARG CD C 43.465 . 1
115 21 ARG HD2 H 3.210 . 2
116 21 ARG C C 176.744 . 1
117 22 ALA N N 124.253 . 1
118 22 ALA H H 8.131 . 1
119 22 ALA CA C 53.177 . 1
120 22 ALA HA H 4.246 . 1
121 22 ALA CB C 18.959 . 1
122 22 ALA HB H 1.429 . 1
123 22 ALA C C 178.363 . 1
124 23 LYS N N 120.026 . 1
125 23 LYS H H 8.204 . 1
126 23 LYS CA C 56.994 . 1
127 23 LYS HA H 4.216 . 1
128 23 LYS CB C 32.801 . 1
129 23 LYS HB2 H 1.805 . 2
130 23 LYS CG C 24.760 . 1
131 23 LYS HG2 H 1.452 . 2
132 23 LYS CD C 28.952 . 1
133 23 LYS HD2 H 1.708 . 2
134 23 LYS CE C 42.040 . 1
135 23 LYS HE2 H 2.989 . 2
136 23 LYS C C 176.950 . 1
137 24 ASN N N 119.032 . 1
138 24 ASN H H 8.309 . 1
139 24 ASN CA C 53.901 . 1
140 24 ASN HA H 4.630 . 1
141 24 ASN CB C 38.551 . 1
142 24 ASN HB2 H 2.811 . 2
143 24 ASN C C 175.770 . 1
144 25 LEU N N 122.502 . 1
145 25 LEU H H 8.185 . 1
146 25 LEU CA C 55.831 . 1
147 25 LEU HA H 4.280 . 1
148 25 LEU CB C 42.116 . 1
149 25 LEU HB2 H 1.642 . 2
150 25 LEU CG C 26.883 . 1
151 25 LEU HG H 1.623 . 1
152 25 LEU CD1 C 23.428 . 1
153 25 LEU HD1 H 0.854 . 2
154 25 LEU CD2 C 25.000 . 1
155 25 LEU HD2 H 0.912 . 2
156 25 LEU C C 177.834 . 1
157 26 GLU N N 121.203 . 1
158 26 GLU H H 8.221 . 1
159 26 GLU CA C 57.260 . 1
160 26 GLU HA H 4.182 . 1
161 26 GLU CB C 29.988 . 1
162 26 GLU HB2 H 2.019 . 2
163 26 GLU CG C 36.145 . 1
164 26 GLU HG2 H 2.278 . 2
165 26 GLU C C 177.165 . 1
166 27 LYS N N 121.881 . 1
167 27 LYS H H 8.192 . 1
168 27 LYS CA C 56.857 . 1
169 27 LYS HA H 4.215 . 1
170 27 LYS CB C 32.802 . 1
171 27 LYS HB2 H 1.808 . 2
172 27 LYS CG C 24.797 . 1
173 27 LYS HG2 H 1.464 . 2
174 27 LYS CD C 29.036 . 1
175 27 LYS HD2 H 1.717 . 2
176 27 LYS CE C 42.303 . 1
177 27 LYS HE2 H 2.997 . 2
178 27 LYS C C 176.900 . 1
179 28 ALA N N 124.321 . 1
180 28 ALA H H 8.157 . 1
181 28 ALA CA C 52.970 . 1
182 28 ALA HA H 4.250 . 1
183 28 ALA CB C 18.988 . 1
184 28 ALA HB H 1.399 . 1
185 28 ALA C C 178.202 . 1
186 29 LYS N N 120.423 . 1
187 29 LYS H H 8.175 . 1
188 29 LYS CA C 56.667 . 1
189 29 LYS HA H 4.223 . 1
190 29 LYS CB C 32.958 . 1
191 29 LYS HB2 H 1.802 . 2
192 29 LYS CG C 24.814 . 1
193 29 LYS HG2 H 1.462 . 2
194 29 LYS CD C 29.087 . 1
195 29 LYS HD2 H 1.719 . 2
196 29 LYS CE C 42.250 . 1
197 29 LYS HE2 H 2.992 . 2
198 29 LYS C C 176.765 . 1
199 30 ALA N N 124.776 . 1
200 30 ALA H H 8.166 . 1
201 30 ALA CA C 52.594 . 1
202 30 ALA HA H 4.274 . 1
203 30 ALA CB C 19.137 . 1
204 30 ALA HB H 1.390 . 1
205 30 ALA C C 177.542 . 1
206 31 ALA N N 123.240 . 1
207 31 ALA H H 8.189 . 1
208 31 ALA CA C 52.655 . 1
209 31 ALA HA H 4.305 . 1
210 31 ALA CB C 19.252 . 1
211 31 ALA HB H 1.404 . 1
212 31 ALA C C 178.317 . 1
213 32 GLY N N 107.913 . 1
214 32 GLY H H 8.283 . 1
215 32 GLY CA C 45.255 . 1
216 32 GLY HA2 H 3.962 . 2
217 32 GLY C C 174.348 . 1
218 33 LYS N N 120.948 . 1
219 33 LYS H H 8.250 . 1
220 33 LYS CA C 56.519 . 1
221 33 LYS HA H 4.332 . 1
222 33 LYS CB C 32.969 . 1
223 33 LYS HB2 H 1.823 . 2
224 33 LYS CG C 24.648 . 1
225 33 LYS HG2 H 1.442 . 2
226 33 LYS CD C 28.969 . 1
227 33 LYS HD2 H 1.701 . 2
228 33 LYS CE C 42.330 . 1
229 33 LYS HE2 H 2.995 . 2
230 33 LYS C C 177.347 . 1
231 34 GLY N N 110.109 . 1
232 34 GLY H H 8.513 . 1
233 34 GLY CA C 45.399 . 1
234 34 GLY HA2 H 3.985 . 2
235 34 GLY C C 174.408 . 1
236 35 SER N N 115.764 . 1
237 35 SER H H 8.239 . 1
238 35 SER CA C 58.565 . 1
239 35 SER HA H 4.418 . 1
240 35 SER CB C 63.886 . 1
241 35 SER HB2 H 3.876 . 2
242 35 SER C C 174.900 . 1
243 36 GLN N N 122.387 . 1
244 36 GLN H H 8.508 . 1
245 36 GLN CA C 56.185 . 1
246 36 GLN HA H 4.321 . 1
247 36 GLN CB C 29.103 . 1
248 36 GLN HB3 H 2.022 . 2
249 36 GLN HB2 H 2.100 . 2
250 36 GLN CG C 33.764 . 1
251 36 GLN HG2 H 2.368 . 2
252 36 GLN C C 176.126 . 1
253 37 LEU N N 122.632 . 1
254 37 LEU H H 8.165 . 1
255 37 LEU CA C 55.747 . 1
256 37 LEU HA H 4.270 . 1
257 37 LEU CB C 42.222 . 1
258 37 LEU HB2 H 1.604 . 2
259 37 LEU CG C 27.007 . 1
260 37 LEU CD1 C 23.629 . 1
261 37 LEU HD1 H 0.896 . 2
262 37 LEU CD2 C 24.901 . 1
263 37 LEU C C 177.768 . 1
264 38 GLU N N 121.399 . 1
265 38 GLU H H 8.311 . 1
266 38 GLU CA C 56.925 . 1
267 38 GLU HA H 4.195 . 1
268 38 GLU CB C 30.043 . 1
269 38 GLU HB3 H 1.969 . 2
270 38 GLU HB2 H 2.045 . 2
271 38 GLU CG C 36.170 . 1
272 38 GLU HG2 H 2.264 . 2
273 38 GLU C C 176.718 . 1
274 39 ALA N N 124.319 . 1
275 39 ALA H H 8.227 . 1
276 39 ALA CA C 53.212 . 1
277 39 ALA HA H 4.209 . 1
278 39 ALA CB C 18.981 . 1
279 39 ALA HB H 1.382 . 1
280 39 ALA C C 177.958 . 1
281 40 ASN N N 117.028 . 1
282 40 ASN H H 8.291 . 1
283 40 ASN CA C 53.519 . 1
284 40 ASN HA H 4.629 . 1
285 40 ASN CB C 38.574 . 1
286 40 ASN HB2 H 2.818 . 2
287 40 ASN C C 175.584 . 1
288 41 LYS N N 121.472 . 1
289 41 LYS H H 8.106 . 1
290 41 LYS CA C 56.891 . 1
291 41 LYS HA H 4.241 . 1
292 41 LYS CB C 32.792 . 1
293 41 LYS HB2 H 1.812 . 2
294 41 LYS CG C 25.000 . 1
295 41 LYS HG2 H 1.433 . 2
296 41 LYS CD C 29.027 . 1
297 41 LYS HD2 H 1.700 . 2
298 41 LYS CE C 42.305 . 1
299 41 LYS HE2 H 2.982 . 2
300 41 LYS C C 176.778 . 1
301 42 LYS N N 121.275 . 1
302 42 LYS H H 8.145 . 1
303 42 LYS CA C 56.347 . 1
304 42 LYS HA H 4.268 . 1
305 42 LYS CB C 32.918 . 1
306 42 LYS HB2 H 1.799 . 2
307 42 LYS CG C 24.829 . 1
308 42 LYS HG2 H 1.430 . 2
309 42 LYS CD C 29.023 . 1
310 42 LYS HD2 H 1.697 . 2
311 42 LYS CE C 42.320 . 1
312 42 LYS HE2 H 2.987 . 2
313 42 LYS C C 176.176 . 1
314 43 ALA N N 124.236 . 1
315 43 ALA H H 8.048 . 1
316 43 ALA CA C 52.485 . 1
317 43 ALA HA H 4.314 . 1
318 43 ALA CB C 19.302 . 1
319 43 ALA HB H 1.406 . 1
320 43 ALA C C 177.546 . 1
321 44 MET N N 121.010 . 1
322 44 MET H H 8.309 . 1
323 44 MET CA C 54.595 . 1
324 44 MET HA H 4.661 . 1
325 44 MET CB C 31.917 . 1
326 44 MET HB3 H 2.583 . 2
327 44 MET HB2 H 2.028 . 2
328 44 MET C C 175.980 . 1
329 45 SER N N 114.831 . 1
330 45 SER H H 7.905 . 1
331 45 SER CA C 58.281 . 1
332 45 SER HA H 4.522 . 1
333 45 SER CB C 64.336 . 1
334 45 SER HB3 H 3.778 . 2
335 45 SER HB2 H 3.833 . 2
336 45 SER C C 173.968 . 1
337 46 ILE N N 122.873 . 1
338 46 ILE H H 8.480 . 1
339 46 ILE CA C 60.917 . 1
340 46 ILE HA H 4.203 . 1
341 46 ILE CB C 39.882 . 1
342 46 ILE HB H 1.649 . 1
343 46 ILE CG1 C 27.670 . 2
344 46 ILE HG13 H 0.563 . 1
345 46 ILE HG12 H 1.358 . 1
346 46 ILE CD1 C 13.695 . 1
347 46 ILE HD1 H 0.551 . 1
348 46 ILE CG2 C 18.382 . 1
349 46 ILE HG2 H 0.776 . 1
350 46 ILE C C 174.181 . 1
351 47 GLN N N 125.907 . 1
352 47 GLN H H 8.360 . 1
353 47 GLN CA C 53.934 . 1
354 47 GLN HA H 5.397 . 1
355 47 GLN CB C 33.171 . 1
356 47 GLN HB2 H 1.786 . 2
357 47 GLN HG2 H 1.998 . 2
358 47 GLN NE2 N 111.785 . 1
359 47 GLN HE21 H 7.123 . 2
360 47 GLN HE22 H 6.689 . 2
361 47 GLN C C 174.765 . 1
362 48 CYS N N 127.428 . 1
363 48 CYS H H 8.686 . 1
364 48 CYS CA C 58.288 . 1
365 48 CYS HA H 3.874 . 1
366 48 CYS CB C 29.678 . 1
367 48 CYS HB3 H 2.600 . 2
368 48 CYS HB2 H 3.103 . 2
369 48 CYS C C 177.863 . 1
370 49 LYS N N 129.703 . 1
371 49 LYS H H 9.829 . 1
372 49 LYS CA C 56.127 . 1
373 49 LYS HA H 4.155 . 1
374 49 LYS CB C 30.620 . 1
375 49 LYS HB3 H 1.919 . 2
376 49 LYS HB2 H 2.097 . 2
377 49 LYS CG C 24.443 . 1
378 49 LYS HG2 H 1.579 . 2
379 49 LYS CD C 27.740 . 1
380 49 LYS CE C 42.441 . 1
381 49 LYS HE2 H 3.049 . 2
382 49 LYS C C 176.938 . 1
383 50 VAL N N 120.881 . 1
384 50 VAL H H 8.709 . 1
385 50 VAL CA C 65.045 . 1
386 50 VAL HA H 3.829 . 1
387 50 VAL CB C 32.233 . 1
388 50 VAL HB H 0.897 . 1
389 50 VAL HG2 H 0.383 . 2
390 50 VAL CG1 C 23.518 . 1
391 50 VAL HG1 H 0.593 . 2
392 50 VAL C C 176.653 . 1
393 51 CYS N N 116.622 . 1
394 51 CYS H H 8.078 . 1
395 51 CYS CA C 58.474 . 1
396 51 CYS HA H 5.086 . 1
397 51 CYS CB C 31.919 . 1
398 51 CYS HB3 H 2.990 . 2
399 51 CYS HB2 H 3.533 . 2
400 51 CYS C C 175.814 . 1
401 52 MET N N 117.356 . 1
402 52 MET H H 8.005 . 1
403 52 MET CA C 57.158 . 1
404 52 MET HA H 4.458 . 1
405 52 MET CB C 28.508 . 1
406 52 MET HB3 H 2.166 . 2
407 52 MET HB2 H 2.518 . 2
408 52 MET HG3 H 2.217 . 2
409 52 MET HG2 H 2.586 . 2
410 52 MET C C 175.867 . 1
411 53 GLN N N 123.892 . 1
412 53 GLN H H 8.335 . 1
413 53 GLN CA C 57.896 . 1
414 53 GLN HA H 4.114 . 1
415 53 GLN CB C 29.403 . 1
416 53 GLN HB3 H 1.507 . 2
417 53 GLN HB2 H 2.334 . 2
418 53 GLN CG C 33.803 . 1
419 53 GLN HG3 H 1.761 . 2
420 53 GLN HG2 H 2.105 . 2
421 53 GLN NE2 N 113.341 . 1
422 53 GLN HE21 H 7.016 . 2
423 53 GLN HE22 H 7.383 . 2
424 53 GLN C C 174.926 . 1
425 54 THR N N 116.430 . 1
426 54 THR H H 8.055 . 1
427 54 THR CA C 60.922 . 1
428 54 THR HA H 5.082 . 1
429 54 THR CB C 70.862 . 1
430 54 THR HB H 4.084 . 1
431 54 THR CG2 C 22.388 . 1
432 54 THR HG2 H 1.172 . 1
433 54 THR C C 173.808 . 1
434 55 PHE N N 121.267 . 1
435 55 PHE H H 9.092 . 1
436 55 PHE CA C 56.256 . 1
437 55 PHE HA H 4.687 . 1
438 55 PHE CB C 41.774 . 1
439 55 PHE HB3 H 2.490 . 2
440 55 PHE HB2 H 3.318 . 2
441 55 PHE HD1 H 7.181 . 3
442 55 PHE C C 175.044 . 1
443 56 ILE N N 119.149 . 1
444 56 ILE H H 8.544 . 1
445 56 ILE CA C 62.095 . 1
446 56 ILE HA H 4.496 . 1
447 56 ILE CB C 39.014 . 1
448 56 ILE HB H 1.995 . 1
449 56 ILE CG1 C 27.991 . 2
450 56 ILE HG13 H 1.517 . 1
451 56 ILE HG12 H 1.371 . 1
452 56 ILE CD1 C 14.007 . 1
453 56 ILE HD1 H 0.917 . 1
454 56 ILE CG2 C 17.236 . 1
455 56 ILE HG2 H 1.002 . 1
456 56 ILE C C 178.873 . 1
457 57 CYS N N 122.531 . 1
458 57 CYS H H 8.870 . 1
459 57 CYS CA C 60.779 . 1
460 57 CYS HA H 4.275 . 1
461 57 CYS CB C 27.433 . 1
462 57 CYS HB2 H 3.061 . 2
463 57 CYS C C 174.124 . 1
464 58 THR N N 110.197 . 1
465 58 THR H H 7.081 . 1
466 58 THR CA C 61.353 . 1
467 58 THR HA H 4.298 . 1
468 58 THR CB C 68.249 . 1
469 58 THR HB H 4.568 . 1
470 58 THR CG2 C 22.644 . 1
471 58 THR HG2 H 1.262 . 1
472 58 THR C C 174.415 . 1
473 59 THR N N 120.226 . 1
474 59 THR H H 7.820 . 1
475 59 THR CA C 65.358 . 1
476 59 THR HA H 4.317 . 1
477 59 THR CB C 69.146 . 1
478 59 THR HB H 3.880 . 1
479 59 THR CG2 C 22.329 . 1
480 59 THR HG2 H 1.157 . 1
481 59 THR C C 174.144 . 1
482 60 SER N N 124.242 . 1
483 60 SER H H 8.497 . 1
484 60 SER CA C 57.633 . 1
485 60 SER HA H 4.344 . 1
486 60 SER CB C 65.074 . 1
487 60 SER HB2 H 4.037 . 2
488 60 SER C C 174.955 . 1
489 61 GLU N N 122.953 . 1
490 61 GLU H H 8.945 . 1
491 61 GLU CA C 59.977 . 1
492 61 GLU HA H 3.792 . 1
493 61 GLU CB C 28.716 . 1
494 61 GLU HB3 H 1.971 . 2
495 61 GLU HB2 H 2.070 . 2
496 61 GLU CG C 36.132 . 1
497 61 GLU HG3 H 2.125 . 2
498 61 GLU HG2 H 2.301 . 2
499 61 GLU C C 178.534 . 1
500 62 VAL N N 117.591 . 1
501 62 VAL H H 7.805 . 1
502 62 VAL CA C 66.155 . 1
503 62 VAL HA H 3.601 . 1
504 62 VAL CB C 31.875 . 1
505 62 VAL HB H 1.945 . 1
506 62 VAL CG2 C 20.807 . 1
507 62 VAL HG2 H 0.903 . 2
508 62 VAL HG1 H 1.022 . 2
509 62 VAL C C 177.723 . 1
510 63 LYS N N 120.612 . 1
511 63 LYS H H 7.516 . 1
512 63 LYS CA C 58.330 . 1
513 63 LYS HA H 4.091 . 1
514 63 LYS CB C 31.605 . 1
515 63 LYS HB3 H 1.696 . 2
516 63 LYS HB2 H 1.940 . 2
517 63 LYS CG C 25.360 . 1
518 63 LYS HG2 H 1.401 . 2
519 63 LYS CD C 28.364 . 1
520 63 LYS HD2 H 1.536 . 2
521 63 LYS CE C 42.390 . 1
522 63 LYS HE2 H 3.011 . 2
523 63 LYS C C 180.335 . 1
524 64 CYS N N 119.993 . 1
525 64 CYS H H 7.678 . 1
526 64 CYS CA C 63.901 . 1
527 64 CYS HA H 3.197 . 1
528 64 CYS CB C 25.735 . 1
529 64 CYS HB2 H 2.504 . 2
530 64 CYS C C 176.151 . 1
531 65 ARG N N 120.072 . 1
532 65 ARG H H 8.267 . 1
533 65 ARG CA C 60.753 . 1
534 65 ARG HA H 3.797 . 1
535 65 ARG CB C 29.276 . 1
536 65 ARG HB3 H 1.899 . 2
537 65 ARG HB2 H 1.834 . 2
538 65 ARG CG C 28.383 . 1
539 65 ARG HG2 H 1.516 . 2
540 65 ARG CD C 43.043 . 1
541 65 ARG HD3 H 3.111 . 2
542 65 ARG HD2 H 3.258 . 2
543 65 ARG C C 178.347 . 1
544 66 GLU N N 118.956 . 1
545 66 GLU H H 8.448 . 1
546 66 GLU CA C 59.500 . 1
547 66 GLU HA H 4.033 . 1
548 66 GLU CB C 29.734 . 1
549 66 GLU HB2 H 2.108 . 2
550 66 GLU CG C 36.559 . 1
551 66 GLU HG3 H 2.187 . 2
552 66 GLU HG2 H 2.525 . 2
553 66 GLU C C 179.155 . 1
554 67 HIS N N 118.003 . 1
555 67 HIS H H 7.738 . 1
556 67 HIS CA C 60.113 . 1
557 67 HIS HA H 4.357 . 1
558 67 HIS CB C 27.955 . 1
559 67 HIS HB3 H 3.391 . 2
560 67 HIS HB2 H 3.653 . 2
561 67 HIS HD2 H 7.245 . 3
562 67 HIS C C 176.189 . 1
563 68 ALA N N 120.591 . 1
564 68 ALA H H 8.241 . 1
565 68 ALA CA C 56.152 . 1
566 68 ALA HA H 4.002 . 1
567 68 ALA CB C 19.280 . 1
568 68 ALA HB H 1.886 . 1
569 68 ALA C C 179.145 . 1
570 69 GLU N N 115.906 . 1
571 69 GLU H H 8.439 . 1
572 69 GLU CA C 59.116 . 1
573 69 GLU HA H 3.831 . 1
574 69 GLU CB C 29.764 . 1
575 69 GLU HB2 H 1.951 . 2
576 69 GLU CG C 36.406 . 1
577 69 GLU HG3 H 2.261 . 2
578 69 GLU HG2 H 2.432 . 2
579 69 GLU C C 177.647 . 1
580 70 ALA N N 117.195 . 1
581 70 ALA H H 7.844 . 1
582 70 ALA CA C 54.211 . 1
583 70 ALA HA H 4.165 . 1
584 70 ALA CB C 19.488 . 1
585 70 ALA HB H 1.433 . 1
586 70 ALA C C 179.976 . 1
587 71 LYS N N 112.076 . 1
588 71 LYS H H 7.964 . 1
589 71 LYS CA C 54.842 . 1
590 71 LYS HA H 4.136 . 1
591 71 LYS CB C 31.089 . 1
592 71 LYS HB3 H 0.507 . 2
593 71 LYS HB2 H 0.892 . 2
594 71 LYS CG C 24.530 . 1
595 71 LYS HG2 H 1.167 . 2
596 71 LYS CD C 27.698 . 1
597 71 LYS HD2 H 1.472 . 2
598 71 LYS CE C 42.379 . 1
599 71 LYS HE2 H 2.999 . 2
600 71 LYS C C 176.547 . 1
601 72 HIS N N 116.108 . 1
602 72 HIS H H 7.662 . 1
603 72 HIS CA C 51.102 . 1
604 72 HIS HA H 5.399 . 1
605 72 HIS CB C 28.588 . 1
606 72 HIS HB3 H 2.890 . 2
607 72 HIS HB2 H 3.440 . 2
608 72 HIS HD2 H 6.778 . 3
609 73 PRO CA C 65.091 . 1
610 73 PRO HA H 4.336 . 1
611 73 PRO CB C 31.788 . 1
612 73 PRO HB3 H 1.950 . 2
613 73 PRO HB2 H 2.511 . 2
614 73 PRO CG C 27.661 . 1
615 73 PRO HG3 H 1.998 . 2
616 73 PRO HG2 H 1.844 . 2
617 73 PRO CD C 50.218 . 1
618 73 PRO HD3 H 3.501 . 2
619 73 PRO HD2 H 3.068 . 2
620 73 PRO C C 178.294 . 1
621 74 LYS N N 115.993 . 1
622 74 LYS H H 8.474 . 1
623 74 LYS CA C 56.013 . 1
624 74 LYS HA H 4.317 . 1
625 74 LYS CB C 31.524 . 1
626 74 LYS HB3 H 1.797 . 2
627 74 LYS HB2 H 1.990 . 2
628 74 LYS CG C 25.322 . 1
629 74 LYS HG2 H 1.413 . 2
630 74 LYS CD C 28.648 . 1
631 74 LYS HD2 H 1.649 . 2
632 74 LYS CE C 42.322 . 1
633 74 LYS HE2 H 2.982 . 2
634 74 LYS C C 176.360 . 1
635 75 ALA N N 123.927 . 1
636 75 ALA H H 7.977 . 1
637 75 ALA CA C 50.772 . 1
638 75 ALA HA H 4.442 . 1
639 75 ALA CB C 20.327 . 1
640 75 ALA HB H 1.247 . 1
641 75 ALA C C 177.268 . 1
642 76 ASP N N 122.567 . 1
643 76 ASP H H 8.572 . 1
644 76 ASP CA C 53.951 . 1
645 76 ASP HA H 4.658 . 1
646 76 ASP CB C 41.897 . 1
647 76 ASP HB2 H 2.648 . 2
648 76 ASP C C 178.477 . 1
649 77 VAL N N 128.003 . 1
650 77 VAL H H 8.955 . 1
651 77 VAL CA C 67.170 . 1
652 77 VAL HA H 3.769 . 1
653 77 VAL CB C 31.377 . 1
654 77 VAL HB H 2.190 . 1
655 77 VAL HG2 H 0.989 . 2
656 77 VAL HG1 H 1.154 . 2
657 77 VAL C C 177.689 . 1
658 78 VAL N N 116.574 . 1
659 78 VAL H H 8.067 . 1
660 78 VAL CA C 63.655 . 1
661 78 VAL HA H 3.901 . 1
662 78 VAL CB C 31.201 . 1
663 78 VAL HB H 2.111 . 1
664 78 VAL CG2 C 21.435 . 1
665 78 VAL HG2 H 0.900 . 2
666 78 VAL CG1 C 23.243 . 1
667 78 VAL C C 177.053 . 1
668 79 ALA N N 122.124 . 1
669 79 ALA H H 7.379 . 1
670 79 ALA CA C 53.960 . 1
671 79 ALA HA H 4.144 . 1
672 79 ALA CB C 18.279 . 1
673 79 ALA HB H 1.507 . 1
674 79 ALA C C 179.453 . 1
675 80 CYS N N 114.130 . 1
676 80 CYS H H 7.124 . 1
677 80 CYS CA C 61.828 . 1
678 80 CYS HA H 3.921 . 1
679 80 CYS CB C 28.393 . 1
680 80 CYS HB3 H 3.052 . 2
681 80 CYS HB2 H 3.284 . 2
682 80 CYS C C 174.255 . 1
683 81 PHE N N 113.197 . 1
684 81 PHE H H 8.191 . 1
685 81 PHE CA C 54.758 . 1
686 81 PHE HA H 5.310 . 1
687 81 PHE CB C 40.200 . 1
688 81 PHE HB3 H 3.199 . 2
689 81 PHE HB2 H 2.737 . 2
690 82 PRO CA C 64.596 . 1
691 82 PRO HA H 4.612 . 1
692 82 PRO CB C 31.854 . 1
693 82 PRO HB3 H 2.053 . 2
694 82 PRO HB2 H 2.473 . 2
695 82 PRO CG C 27.317 . 1
696 82 PRO HG3 H 2.124 . 2
697 82 PRO HG2 H 2.085 . 2
698 82 PRO CD C 50.496 . 1
699 82 PRO HD3 H 4.066 . 2
700 82 PRO HD2 H 3.416 . 2
701 82 PRO C C 178.385 . 1
702 83 HIS N N 115.620 . 1
703 83 HIS H H 8.343 . 1
704 83 HIS CA C 58.229 . 1
705 83 HIS HA H 4.605 . 1
706 83 HIS CB C 29.314 . 1
707 83 HIS HB3 H 3.014 . 2
708 83 HIS HB2 H 3.368 . 2
709 83 HIS HD2 H 6.920 . 3
710 83 HIS C C 175.982 . 1
711 84 LEU N N 120.324 . 1
712 84 LEU H H 7.713 . 1
713 84 LEU CA C 54.612 . 1
714 84 LEU HA H 3.988 . 1
715 84 LEU CB C 41.035 . 1
716 84 LEU HB3 H 1.391 . 2
717 84 LEU HB2 H 1.658 . 2
718 84 LEU CG C 26.013 . 1
719 84 LEU HG H 0.593 . 1
720 84 LEU CD1 C 20.824 . 1
721 84 LEU HD1 H 0.779 . 2
722 84 LEU CD2 C 22.439 . 1
723 84 LEU HD2 H 0.473 . 2
724 84 LEU C C 176.603 . 1
725 85 LYS N N 120.836 . 1
726 85 LYS H H 7.511 . 1
727 85 LYS CA C 57.288 . 1
728 85 LYS HA H 4.089 . 1
729 85 LYS CB C 33.018 . 1
730 85 LYS HB3 H 1.732 . 2
731 85 LYS HB2 H 1.910 . 2
732 85 LYS CG C 24.824 . 1
733 85 LYS HG2 H 1.471 . 2
734 85 LYS CD C 29.231 . 1
735 85 LYS CE C 42.279 . 1
736 85 LYS HE2 H 2.992 . 2
737 85 LYS C C 175.199 . 1
738 86 LYS N N 130.362 . 1
739 86 LYS H H 8.018 . 1
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