data_6138
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Hypothetical protein At2g24940.1 from Arabidopsis thaliana has a cytochrome b5
like fold
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Song Jikui . .
2 Vinarov Dmitriy A. .
3 Tyler Ejan M. .
4 Shahan Mark N. .
5 Tyler Robert C. .
6 Markley John L. .
stop_
_BMRB_accession_number 6138
_BMRB_flat_file_name bmr6138.str
_Entry_type new
_Submission_date 2004-03-01
_Accession_date 2004-03-10
_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' 525
'15N chemical shifts' 110
'13C chemical shifts' 390
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_title
;
Hypothetical protein At2g24940.1 from Arabidopsis thaliana has a cytochrome b5
like fold
;
_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 Song Jikui . .
2 Vinarov Dmitriy A. .
3 Tyler Ejan M. .
4 Shahan Mark N. .
5 Tyler Robert C. .
6 Markley John L. .
stop_
_Journal_abbreviation "J. Biomol. NMR"
_Journal_volume ?
_Journal_issue ?
_Page_first ?
_Page_last ?
_Year ?
save_
##################################
# Molecular system description #
##################################
save_molecular_system
_Saveframe_category molecular_system
_Mol_system_name At2g24940
_Abbreviation_common At2g24940
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
At2g24940 $At2g24940
stop_
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
save_
########################
# Monomeric polymers #
########################
save_At2g24940
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common At2g24940
_Name_variant .
_Abbreviation_common At2g24940
_Molecular_mass ?
_Mol_thiol_state 'not present'
##############################
# Polymer residue sequence #
##############################
_Residue_count 109
_Mol_residue_sequence
;
MGHHHHHHLEEFTAEQLSQY
NGTDESKPIYVAIKGRVFDV
TTGKSFYGSGGDYSMFAGKD
ASRALGKMSKNEEDVSPSLE
GLTEKEINTLNDWETKFEAK
YPVVGRVVS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 HIS 4 HIS 5 HIS
6 HIS 7 HIS 8 HIS 9 LEU 10 GLU
11 GLU 12 PHE 13 THR 14 ALA 15 GLU
16 GLN 17 LEU 18 SER 19 GLN 20 TYR
21 ASN 22 GLY 23 THR 24 ASP 25 GLU
26 SER 27 LYS 28 PRO 29 ILE 30 TYR
31 VAL 32 ALA 33 ILE 34 LYS 35 GLY
36 ARG 37 VAL 38 PHE 39 ASP 40 VAL
41 THR 42 THR 43 GLY 44 LYS 45 SER
46 PHE 47 TYR 48 GLY 49 SER 50 GLY
51 GLY 52 ASP 53 TYR 54 SER 55 MET
56 PHE 57 ALA 58 GLY 59 LYS 60 ASP
61 ALA 62 SER 63 ARG 64 ALA 65 LEU
66 GLY 67 LYS 68 MET 69 SER 70 LYS
71 ASN 72 GLU 73 GLU 74 ASP 75 VAL
76 SER 77 PRO 78 SER 79 LEU 80 GLU
81 GLY 82 LEU 83 THR 84 GLU 85 LYS
86 GLU 87 ILE 88 ASN 89 THR 90 LEU
91 ASN 92 ASP 93 TRP 94 GLU 95 THR
96 LYS 97 PHE 98 GLU 99 ALA 100 LYS
101 TYR 102 PRO 103 VAL 104 VAL 105 GLY
106 ARG 107 VAL 108 VAL 109 SER
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$At2g24940
"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
$At2g24940
'cell free synthesis'
.
.
.
.
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
$At2g24940 0.5 mM .
KH2PO4 10 mM .
KCl 50 mM .
NaN3 0.02 mM .
DSS 1 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 500
save_
#############################
# NMR applied experiments #
#############################
save_NMR_applied_experiment
_Saveframe_category NMR_applied_experiment
_Experiment_name
;
HNCACB
HN(CO)CACB
;
save_
#######################
# Sample conditions #
#######################
save_Conditions_1
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 . n/a
temperature 298 . 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
DSS H 1 "methyl protons" ppm 0.00 external direct . . . 1.00000
DSS N 15 "methyl protons" ppm 0.00 external direct . . . 0.101329118
DSS C 13 "methyl protons" ppm 0.00 external direct . . . 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_assigned_chemical_shifts
_Saveframe_category assigned_chemical_shifts
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name At2g24940
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 GLY CA C 45.451 0.000 2
2 2 GLY H H 8.301 0.000 2
3 2 GLY N N 115.282 0.000 2
4 8 HIS C C 173.921 0.000 2
5 8 HIS CA C 55.777 0.048 2
6 8 HIS CB C 29.661 0.082 2
7 8 HIS HA H 4.585 0.007 2
8 8 HIS HB3 H 3.132 0.007 2
9 8 HIS H H 8.556 0.000 2
10 8 HIS N N 122.149 0.000 2
11 9 LEU C C 176.172 0.000 2
12 9 LEU CA C 54.361 0.034 2
13 9 LEU CB C 42.843 0.037 2
14 9 LEU CD1 C 25.230 0.043 2
15 9 LEU CD2 C 23.464 0.132 2
16 9 LEU CG C 26.795 0.029 2
17 9 LEU HA H 4.259 0.006 2
18 9 LEU HB2 H 1.557 0.009 2
19 9 LEU HB3 H 1.176 0.006 2
20 9 LEU HG H 1.466 0.006 2
21 9 LEU H H 8.264 0.003 2
22 9 LEU N N 125.584 0.119 2
23 9 LEU HD1 H 0.754 0.009 2
24 9 LEU HD2 H 0.654 0.011 2
25 10 GLU C C 174.761 0.000 2
26 10 GLU CA C 55.991 0.075 2
27 10 GLU CB C 31.366 0.021 2
28 10 GLU CG C 35.912 0.065 2
29 10 GLU HA H 4.199 0.004 2
30 10 GLU HB2 H 1.690 0.022 2
31 10 GLU HB3 H 1.740 0.017 2
32 10 GLU HG2 H 1.986 0.029 2
33 10 GLU HG3 H 2.102 0.003 2
34 10 GLU H H 8.015 0.004 2
35 10 GLU N N 124.436 0.101 2
36 11 GLU C C 175.456 0.000 2
37 11 GLU CA C 55.219 0.036 2
38 11 GLU CB C 31.346 0.034 2
39 11 GLU CG C 36.890 0.063 2
40 11 GLU HA H 4.860 0.016 2
41 11 GLU HB2 H 1.813 0.008 2
42 11 GLU HG2 H 1.964 0.006 2
43 11 GLU HG3 H 2.288 0.003 2
44 11 GLU H H 8.191 0.003 2
45 11 GLU N N 122.789 0.099 2
46 12 PHE C C 176.734 0.000 2
47 12 PHE CA C 56.272 0.040 2
48 12 PHE CB C 43.327 0.042 2
49 12 PHE HA H 5.188 0.008 2
50 12 PHE HB2 H 2.534 0.006 2
51 12 PHE HB3 H 3.143 0.005 2
52 12 PHE H H 8.854 0.006 2
53 12 PHE N N 121.804 0.099 2
54 12 PHE HD1 H 6.942 0.007 4
55 12 PHE HE1 H 6.788 0.012 4
56 13 THR CA C 60.467 0.058 2
57 13 THR CB C 71.211 0.151 2
58 13 THR CG2 C 22.008 0.084 2
59 13 THR HA H 5.048 0.009 2
60 13 THR HB H 4.865 0.009 2
61 13 THR H H 8.758 0.009 2
62 13 THR N N 113.879 0.103 2
63 13 THR HG2 H 1.310 0.005 1
64 14 ALA C C 181.272 0.000 2
65 14 ALA CA C 55.878 0.040 2
66 14 ALA CB C 17.571 0.125 2
67 14 ALA HA H 3.996 0.004 2
68 14 ALA H H 9.566 0.004 2
69 14 ALA N N 125.909 0.094 2
70 14 ALA HB H 1.522 0.005 1
71 15 GLU C C 180.259 0.000 2
72 15 GLU CA C 59.743 0.073 2
73 15 GLU CB C 29.249 0.050 2
74 15 GLU CG C 36.420 0.052 2
75 15 GLU HA H 4.148 0.011 2
76 15 GLU HB2 H 1.988 0.003 2
77 15 GLU HB3 H 2.133 0.008 2
78 15 GLU HG2 H 2.330 0.008 2
79 15 GLU H H 8.786 0.006 2
80 15 GLU N N 119.996 0.093 2
81 16 GLN C C 179.744 0.000 2
82 16 GLN CA C 58.939 0.058 2
83 16 GLN CB C 29.353 0.036 2
84 16 GLN CG C 34.445 0.017 2
85 16 GLN HA H 4.193 0.006 2
86 16 GLN HB2 H 2.404 0.012 2
87 16 GLN HB3 H 2.643 0.014 2
88 16 GLN HE21 H 7.530 0.007 2
89 16 GLN HE22 H 6.841 0.036 2
90 16 GLN HG3 H 2.621 0.010 2
91 16 GLN H H 8.104 0.003 2
92 16 GLN N N 123.148 0.137 2
93 16 GLN NE2 N 111.428 0.066 2
94 17 LEU C C 177.800 0.000 2
95 17 LEU CA C 57.750 0.047 2
96 17 LEU CB C 42.149 0.036 2
97 17 LEU CD1 C 25.631 0.040 2
98 17 LEU CD2 C 25.616 0.028 2
99 17 LEU CG C 26.085 0.077 2
100 17 LEU HA H 4.007 0.006 2
101 17 LEU HB2 H 1.239 0.007 2
102 17 LEU HB3 H 1.980 0.008 2
103 17 LEU HG H 1.385 0.006 2
104 17 LEU H H 8.828 0.006 2
105 17 LEU N N 121.206 0.104 2
106 17 LEU HD1 H 0.464 0.017 2
107 17 LEU HD2 H 0.434 0.005 2
108 18 SER C C 175.114 0.000 2
109 18 SER CA C 61.041 0.076 2
110 18 SER CB C 63.478 0.093 2
111 18 SER HA H 4.875 0.003 2
112 18 SER HB2 H 4.098 0.006 2
113 18 SER H H 7.535 0.003 2
114 18 SER N N 111.936 0.111 2
115 19 GLN C C 177.027 0.000 2
116 19 GLN CA C 56.611 0.070 2
117 19 GLN CB C 28.740 0.041 2
118 19 GLN CG C 33.811 0.046 2
119 19 GLN HA H 4.156 0.006 2
120 19 GLN HB2 H 1.795 0.010 2
121 19 GLN HE21 H 7.500 0.006 2
122 19 GLN HE22 H 6.932 0.003 2
123 19 GLN HG2 H 2.307 0.004 2
124 19 GLN HG3 H 2.098 0.006 2
125 19 GLN H H 7.250 0.005 2
126 19 GLN N N 118.577 0.100 2
127 19 GLN NE2 N 112.989 0.050 2
128 20 TYR C C 175.669 0.000 2
129 20 TYR CA C 57.114 0.097 2
130 20 TYR CB C 35.986 0.053 2
131 20 TYR HA H 4.359 0.007 2
132 20 TYR HB2 H 2.767 0.014 2
133 20 TYR HB3 H 2.663 0.012 2
134 20 TYR H H 8.102 0.003 2
135 20 TYR N N 124.216 0.103 2
136 20 TYR HD1 H 7.079 0.006 4
137 20 TYR HE1 H 6.926 0.003 4
138 21 ASN C C 176.281 0.000 2
139 21 ASN CA C 52.217 0.056 2
140 21 ASN CB C 39.019 0.037 2
141 21 ASN HA H 4.466 0.007 2
142 21 ASN HB2 H 3.258 0.007 2
143 21 ASN HB3 H 2.772 0.007 2
144 21 ASN HD21 H 7.837 0.007 2
145 21 ASN HD22 H 7.000 0.001 2
146 21 ASN H H 7.301 0.003 2
147 21 ASN N N 116.122 0.111 2
148 21 ASN ND2 N 113.557 0.057 2
149 22 GLY C C 174.366 0.000 2
150 22 GLY CA C 45.378 0.089 2
151 22 GLY HA2 H 3.794 0.013 2
152 22 GLY HA3 H 4.194 0.006 2
153 22 GLY H H 9.014 0.004 2
154 22 GLY N N 109.392 0.099 2
155 23 THR C C 174.632 0.000 2
156 23 THR CA C 64.185 0.072 2
157 23 THR CB C 69.550 0.082 2
158 23 THR CG2 C 21.515 0.035 2
159 23 THR HA H 4.182 0.001 2
160 23 THR HB H 4.186 0.004 2
161 23 THR H H 7.826 0.003 2
162 23 THR N N 113.777 0.096 2
163 23 THR HG2 H 1.173 0.004 1
164 24 ASP C C 178.215 0.000 2
165 24 ASP CA C 52.363 0.049 2
166 24 ASP CB C 41.336 0.033 2
167 24 ASP HA H 4.850 0.011 2
168 24 ASP HB2 H 2.542 0.007 2
169 24 ASP HB3 H 3.004 0.007 2
170 24 ASP H H 8.692 0.003 2
171 24 ASP N N 124.178 0.090 2
172 25 GLU C C 176.639 0.000 2
173 25 GLU CA C 58.573 0.029 2
174 25 GLU CB C 29.512 0.024 2
175 25 GLU CG C 36.377 0.085 2
176 25 GLU HA H 4.122 0.007 2
177 25 GLU HB2 H 2.169 0.010 2
178 25 GLU HB3 H 2.058 0.005 2
179 25 GLU HG3 H 2.352 0.008 2
180 25 GLU H H 9.183 0.005 2
181 25 GLU N N 128.139 0.137 2
182 26 SER C C 174.274 0.000 2
183 26 SER CA C 59.438 0.092 2
184 26 SER CB C 64.084 0.077 2
185 26 SER HA H 4.442 0.004 2
186 26 SER HB2 H 3.908 0.005 2
187 26 SER HB3 H 4.028 0.010 2
188 26 SER H H 8.822 0.003 2
189 26 SER N N 116.063 0.096 2
190 27 LYS CA C 54.179 0.094 2
191 27 LYS CB C 34.380 0.022 2
192 27 LYS CE C 42.086 0.047 2
193 27 LYS CG C 26.046 0.070 2
194 27 LYS HA H 4.791 0.006 2
195 27 LYS HB2 H 1.859 0.010 2
196 27 LYS HE2 H 2.775 0.006 2
197 27 LYS HG2 H 1.429 0.018 2
198 27 LYS HG3 H 1.316 0.011 2
199 27 LYS H H 7.553 0.004 2
200 27 LYS N N 124.212 0.114 2
201 28 PRO C C 175.858 0.000 2
202 28 PRO CA C 62.321 0.133 2
203 28 PRO CB C 33.228 0.054 2
204 28 PRO CD C 50.427 0.099 2
205 28 PRO CG C 26.778 0.076 2
206 28 PRO HA H 4.648 0.012 2
207 28 PRO HB2 H 1.463 0.007 2
208 28 PRO HB3 H 2.265 0.009 2
209 28 PRO HD2 H 3.607 0.006 2
210 28 PRO HD3 H 3.851 0.012 2
211 28 PRO HG2 H 2.003 0.010 2
212 28 PRO HG3 H 1.535 0.015 2
213 29 ILE C C 174.156 0.000 2
214 29 ILE CA C 60.714 0.072 2
215 29 ILE CB C 39.463 0.054 2
216 29 ILE CD1 C 14.230 0.056 2
217 29 ILE CG1 C 27.531 0.071 2
218 29 ILE CG2 C 18.655 0.060 2
219 29 ILE HA H 3.864 0.009 2
220 29 ILE HB H 1.239 0.005 2
221 29 ILE HG12 H 1.741 0.007 2
222 29 ILE HG13 H 0.645 0.006 2
223 29 ILE H H 8.201 0.006 2
224 29 ILE N N 121.717 0.112 2
225 29 ILE HD1 H 0.889 0.003 1
226 29 ILE HG2 H 0.631 0.007 1
227 30 TYR C C 175.733 0.000 2
228 30 TYR CA C 51.953 0.037 2
229 30 TYR CB C 41.537 0.043 2
230 30 TYR HA H 6.096 0.006 2
231 30 TYR HB2 H 2.563 0.007 2
232 30 TYR H H 7.916 0.009 2
233 30 TYR N N 125.288 0.094 2
234 30 TYR HD1 H 6.388 0.001 4
235 30 TYR HE1 H 6.543 0.007 4
236 31 VAL C C 173.850 0.000 2
237 31 VAL CA C 61.844 0.082 2
238 31 VAL CB C 37.207 0.069 2
239 31 VAL CG1 C 22.738 0.036 2
240 31 VAL CG2 C 20.999 0.056 2
241 31 VAL HA H 4.352 0.009 2
242 31 VAL HB H 1.570 0.007 2
243 31 VAL H H 8.374 0.004 2
244 31 VAL N N 121.593 0.106 2
245 31 VAL HG1 H 0.674 0.011 2
246 31 VAL HG2 H 0.775 0.008 2
247 32 ALA C C 175.233 0.000 2
248 32 ALA CA C 48.911 0.041 2
249 32 ALA CB C 22.223 0.065 2
250 32 ALA HA H 6.042 0.006 2
251 32 ALA H H 8.824 0.006 2
252 32 ALA N N 129.249 0.121 2
253 32 ALA HB H 0.855 0.008 1
254 33 ILE C C 176.914 0.000 2
255 33 ILE CA C 60.617 0.127 2
256 33 ILE CB C 41.596 0.075 2
257 33 ILE CD1 C 12.801 0.059 2
258 33 ILE CG1 C 26.829 0.065 2
259 33 ILE CG2 C 17.734 0.047 2
260 33 ILE HA H 4.144 0.009 2
261 33 ILE HB H 1.676 0.013 2
262 33 ILE HG12 H 1.017 0.014 2
263 33 ILE HG13 H 0.286 0.008 2
264 33 ILE H H 8.599 0.005 2
265 33 ILE N N 117.485 0.104 2
266 33 ILE HD1 H -0.480 0.005 1
267 33 ILE HG2 H 0.663 0.006 1
268 34 LYS C C 176.660 0.000 2
269 34 LYS CA C 57.322 0.040 2
270 34 LYS CB C 30.036 0.108 2
271 34 LYS CD C 29.742 0.000 2
272 34 LYS CG C 25.742 0.108 2
273 34 LYS HA H 4.124 0.008 2
274 34 LYS HB2 H 2.188 0.011 2
275 34 LYS HB3 H 1.776 0.009 2
276 34 LYS HD2 H 1.682 0.000 2
277 34 LYS HE2 H 2.776 0.012 2
278 34 LYS HG2 H 1.363 0.018 2
279 34 LYS HG3 H 1.487 0.017 2
280 34 LYS H H 9.773 0.013 2
281 34 LYS N N 128.734 0.118 2
282 35 GLY C C 172.910 0.000 2
283 35 GLY CA C 46.095 0.047 2
284 35 GLY HA2 H 4.271 0.008 2
285 35 GLY HA3 H 3.591 0.007 2
286 35 GLY H H 8.097 0.008 2
287 35 GLY N N 103.652 0.107 2
288 36 ARG C C 174.048 0.000 2
289 36 ARG CA C 56.024 0.077 2
290 36 ARG CB C 32.068 0.066 2
291 36 ARG CD C 44.408 0.029 2
292 36 ARG CG C 27.136 0.073 2
293 36 ARG HA H 4.598 0.008 2
294 36 ARG HB2 H 1.581 0.009 2
295 36 ARG HB3 H 1.984 0.006 2
296 36 ARG HD3 H 3.257 0.020 2
297 36 ARG HE H 7.583 0.004 2
298 36 ARG HG2 H 1.731 0.009 2
299 36 ARG HG3 H 1.312 0.014 2
300 36 ARG H H 8.195 0.007 2
301 36 ARG N N 123.488 0.108 2
302 36 ARG NE N 85.468 0.032 2
303 37 VAL C C 173.655 0.000 2
304 37 VAL CA C 63.245 0.063 2
305 37 VAL CB C 32.067 0.065 2
306 37 VAL CG1 C 22.591 0.019 2
307 37 VAL CG2 C 22.164 0.040 2
308 37 VAL HA H 3.529 0.006 2
309 37 VAL HB H 1.080 0.008 2
310 37 VAL H H 8.078 0.009 2
311 37 VAL N N 123.237 0.111 2
312 37 VAL HG1 H -0.229 0.013 2
313 37 VAL HG2 H 0.413 0.004 2
314 38 PHE C C 174.812 0.000 2
315 38 PHE CA C 56.789 0.061 2
316 38 PHE CB C 41.134 0.069 2
317 38 PHE HA H 5.101 0.005 2
318 38 PHE HB2 H 2.615 0.010 2
319 38 PHE HB3 H 3.026 0.006 2
320 38 PHE H H 8.999 0.005 2
321 38 PHE N N 128.230 0.117 2
322 38 PHE HD1 H 7.389 0.011 4
323 38 PHE HE1 H 7.245 0.009 4
324 39 ASP C C 177.319 0.000 2
325 39 ASP CA C 53.240 0.037 2
326 39 ASP CB C 41.057 0.045 2
327 39 ASP HA H 5.196 0.014 2
328 39 ASP HB2 H 2.520 0.010 2
329 39 ASP HB3 H 3.148 0.010 2
330 39 ASP H H 8.584 0.004 2
331 39 ASP N N 120.102 0.114 2
332 40 VAL C C 177.612 0.000 2
333 40 VAL CA C 59.247 0.075 2
334 40 VAL CB C 29.687 0.065 2
335 40 VAL CG1 C 20.677 0.049 2
336 40 VAL CG2 C 20.440 0.026 2
337 40 VAL HA H 4.094 0.005 2
338 40 VAL HB H 1.676 0.009 2
339 40 VAL H H 8.711 0.006 2
340 40 VAL N N 121.029 0.075 2
341 40 VAL HG1 H -0.286 0.014 2
342 40 VAL HG2 H 0.202 0.006 2
343 41 THR C C 177.807 0.000 2
344 41 THR CA C 69.435 0.059 2
345 41 THR CB C 68.342 0.122 2
346 41 THR CG2 C 22.088 0.054 2
347 41 THR HA H 3.618 0.004 2
348 41 THR HB H 4.224 0.007 2
349 41 THR H H 8.891 0.006 2
350 41 THR N N 124.434 0.106 2
351 41 THR HG2 H 1.354 0.004 1
352 42 THR C C 176.059 0.000 2
353 42 THR CA C 64.862 0.141 2
354 42 THR CB C 69.042 0.129 2
355 42 THR CG2 C 22.086 0.068 2
356 42 THR HA H 4.348 0.006 2
357 42 THR HB H 4.582 0.003 2
358 42 THR H H 8.917 0.002 2
359 42 THR N N 112.081 0.083 2
360 42 THR HG2 H 1.483 0.010 1
361 43 GLY C C 175.863 0.000 2
362 43 GLY CA C 46.223 0.046 2
363 43 GLY HA2 H 3.948 0.008 2
364 43 GLY HA3 H 5.036 0.010 2
365 43 GLY H H 8.726 0.004 2
366 43 GLY N N 113.470 0.119 2
367 44 LYS C C 177.347 0.000 2
368 44 LYS CA C 59.797 0.095 2
369 44 LYS CB C 32.383 0.058 2
370 44 LYS CD C 29.691 0.059 2
371 44 LYS CE C 41.897 0.153 2
372 44 LYS CG C 24.397 0.112 2
373 44 LYS HA H 3.812 0.005 2
374 44 LYS HB2 H 2.182 0.007 2
375 44 LYS HB3 H 2.084 0.014 2
376 44 LYS HD2 H 1.763 0.010 2
377 44 LYS HD3 H 1.773 0.002 2
378 44 LYS HE3 H 3.047 0.012 2
379 44 LYS HG2 H 1.403 0.014 2
380 44 LYS HG3 H 1.524 0.013 2
381 44 LYS H H 7.525 0.004 2
382 44 LYS N N 123.441 0.104 2
383 45 SER C C 174.474 0.000 2
384 45 SER CA C 61.466 0.111 2
385 45 SER CB C 62.052 0.102 2
386 45 SER HA H 3.979 0.010 2
387 45 SER HB2 H 3.506 0.018 2
388 45 SER HB3 H 3.566 0.006 2
389 45 SER H H 8.944 0.005 2
390 45 SER N N 117.486 0.116 2
391 46 PHE C C 176.617 0.000 2
392 46 PHE CA C 58.476 0.073 2
393 46 PHE CB C 39.120 0.046 2
394 46 PHE HA H 4.652 0.020 2
395 46 PHE HB2 H 2.268 0.012 2
396 46 PHE HB3 H 2.313 0.023 2
397 46 PHE H H 7.673 0.004 2
398 46 PHE N N 118.646 0.109 2
399 46 PHE HD1 H 7.162 0.002 4
400 46 PHE HE1 H 6.738 0.006 4
401 47 TYR C C 175.125 0.000 2
402 47 TYR CA C 58.348 0.054 2
403 47 TYR CB C 41.273 0.053 2
404 47 TYR HA H 4.380 0.006 2
405 47 TYR HB2 H 3.191 0.006 2
406 47 TYR HB3 H 2.158 0.003 2
407 47 TYR H H 7.295 0.005 2
408 47 TYR N N 115.378 0.092 2
409 47 TYR HD1 H 7.134 0.004 2
410 47 TYR HE1 H 6.977 0.015 2
411 48 GLY C C 172.927 0.000 2
412 48 GLY CA C 43.774 0.076 2
413 48 GLY HA2 H 3.747 0.008 2
414 48 GLY HA3 H 4.309 0.011 2
415 48 GLY H H 8.162 0.005 2
416 48 GLY N N 105.727 0.110 2
417 49 SER C C 176.927 0.000 2
418 49 SER CA C 60.277 0.053 2
419 49 SER CB C 62.841 0.060 2
420 49 SER HA H 4.131 0.002 2
421 49 SER HB2 H 3.823 0.013 2
422 49 SER H H 8.409 0.008 2
423 49 SER N N 114.165 0.086 2
424 50 GLY C C 174.941 0.000 2
425 50 GLY CA C 45.163 0.064 2
426 50 GLY HA2 H 3.784 0.009 2
427 50 GLY HA3 H 4.144 0.011 2
428 50 GLY H H 9.031 0.009 2
429 50 GLY N N 116.826 0.098 2
430 51 GLY C C 175.642 0.000 2
431 51 GLY CA C 45.072 0.017 2
432 51 GLY HA2 H 3.368 0.009 2
433 51 GLY HA3 H 4.132 0.006 2
434 51 GLY H H 8.675 0.007 2
435 51 GLY N N 110.485 0.099 2
436 52 ASP C C 176.308 0.000 2
437 52 ASP CA C 56.651 0.050 2
438 52 ASP CB C 40.871 0.080 2
439 52 ASP HA H 4.182 0.010 2
440 52 ASP HB2 H 2.039 0.010 2
441 52 ASP HB3 H 2.180 0.005 2
442 52 ASP H H 9.280 0.003 2
443 52 ASP N N 123.384 0.085 2
444 53 TYR C C 176.797 0.000 2
445 53 TYR CA C 56.056 0.064 2
446 53 TYR CB C 38.117 0.050 2
447 53 TYR HA H 4.549 0.008 2
448 53 TYR HB2 H 2.982 0.004 2
449 53 TYR HB3 H 2.022 0.019 2
450 53 TYR H H 8.241 0.007 2
451 53 TYR N N 115.084 0.088 2
452 53 TYR HD1 H 6.723 0.023 4
453 53 TYR HE1 H 6.354 0.002 4
454 54 SER C C 176.583 0.000 2
455 54 SER CA C 60.580 0.043 2
456 54 SER CB C 62.939 0.127 2
457 54 SER HA H 4.244 0.004 2
458 54 SER HB2 H 3.970 0.007 2
459 54 SER HB3 H 3.927 0.016 2
460 54 SER H H 7.262 0.007 2
461 54 SER N N 117.063 0.122 2
462 55 MET C C 176.144 0.000 2
463 55 MET CA C 58.222 0.060 2
464 55 MET CB C 28.483 0.070 2
465 55 MET CG C 31.173 0.064 2
466 55 MET HA H 4.570 0.009 2
467 55 MET HB2 H 2.303 0.007 2
468 55 MET HB3 H 2.213 0.025 2
469 55 MET HG2 H 2.288 0.012 2
470 55 MET HG3 H 2.557 0.007 2
471 55 MET H H 8.739 0.003 2
472 55 MET N N 119.824 0.093 2
473 56 PHE C C 175.100 0.000 2
474 56 PHE CA C 54.920 0.062 2
475 56 PHE CB C 38.149 0.039 2
476 56 PHE HA H 4.717 0.005 2
477 56 PHE HB3 H 3.334 0.010 2
478 56 PHE H H 8.016 0.006 2
479 56 PHE N N 120.255 0.104 2
480 56 PHE HD1 H 6.932 0.003 4
481 56 PHE HE1 H 6.754 0.015 4
482 57 ALA C C 178.463 0.000 2
483 57 ALA CA C 53.716 0.050 2
484 57 ALA CB C 19.116 0.027 2
485 57 ALA HA H 4.059 0.006 2
486 57 ALA H H 7.309 0.003 2
487 57 ALA N N 119.623 0.114 2
488 57 ALA HB H 1.550 0.003 1
489 58 GLY C C 172.919 0.000 2
490 58 GLY CA C 45.882 0.053 2
491 58 GLY HA2 H 3.754 0.010 2
492 58 GLY HA3 H 3.575 0.010 2
493 58 GLY H H 9.656 0.006 2
494 58 GLY N N 113.087 0.099 2
495 59 LYS C C 175.104 0.000 2
496 59 LYS CA C 54.311 0.033 2
497 59 LYS CB C 36.446 0.030 2
498 59 LYS CD C 29.404 0.082 2
499 59 LYS CE C 42.701 0.053 2
500 59 LYS CG C 24.924 0.016 2
501 59 LYS HA H 4.443 0.007 2
502 59 LYS HB2 H 1.587 0.014 2
503 59 LYS HB3 H 1.657 0.016 2
504 59 LYS HD3 H 1.688 0.011 2
505 59 LYS HE3 H 3.066 0.005 2
506 59 LYS HG2 H 1.405 0.014 2
507 59 LYS HG3 H 1.228 0.014 2
508 59 LYS H H 7.820 0.005 2
509 59 LYS N N 117.631 0.088 2
510 60 ASP C C 174.614 0.000 2
511 60 ASP CA C 53.385 0.058 2
512 60 ASP CB C 41.351 0.051 2
513 60 ASP HA H 4.999 0.012 2
514 60 ASP HB2 H 1.985 0.012 2
515 60 ASP HB3 H 2.759 0.009 2
516 60 ASP H H 7.986 0.012 2
517 60 ASP N N 119.064 0.137 2
518 61 ALA C C 176.914 0.000 2
519 61 ALA CA C 49.620 0.055 2
520 61 ALA CB C 19.270 0.048 2
521 61 ALA HA H 4.372 0.007 2
522 61 ALA H H 7.509 0.006 2
523 61 ALA N N 128.806 0.100 2
524 61 ALA HB H 0.538 0.010 1
525 62 SER C C 174.132 0.000 2
526 62 SER CA C 64.227 0.077 2
527 62 SER HA H 3.747 0.009 2
528 62 SER H H 8.556 0.012 2
529 62 SER N N 116.999 0.089 2
530 63 ARG C C 176.907 0.000 2
531 63 ARG CA C 60.531 0.032 2
532 63 ARG CB C 29.154 0.115 2
533 63 ARG CD C 43.458 0.077 2
534 63 ARG CG C 29.462 0.118 2
535 63 ARG HA H 3.688 0.007 2
536 63 ARG HB2 H 2.232 0.034 2
537 63 ARG HB3 H 2.152 0.006 2
538 63 ARG HD2 H 3.240 0.015 2
539 63 ARG HE H 7.697 0.004 2
540 63 ARG HG2 H 1.678 0.005 2
541 63 ARG HG3 H 1.421 0.005 2
542 63 ARG H H 8.605 0.005 2
543 63 ARG N N 120.650 0.083 2
544 63 ARG NE N 86.368 0.065 2
545 64 ALA C C 179.984 0.000 2
546 64 ALA CA C 55.030 0.055 2
547 64 ALA CB C 18.666 0.040 2
548 64 ALA HA H 3.812 0.009 2
549 64 ALA H H 6.618 0.005 2
550 64 ALA N N 121.786 0.125 2
551 64 ALA HB H 1.305 0.006 1
552 65 LEU C C 179.266 0.000 2
553 65 LEU CA C 57.412 0.044 2
554 65 LEU CB C 41.027 0.037 2
555 65 LEU CD1 C 26.002 0.047 2
556 65 LEU CD2 C 21.465 0.052 2
557 65 LEU CG C 25.925 0.034 2
558 65 LEU HA H 3.707 0.008 2
559 65 LEU HB2 H 0.695 0.009 2
560 65 LEU HB3 H 1.532 0.007 2
561 65 LEU HG H 0.838 0.014 2
562 65 LEU H H 7.811 0.009 2
563 65 LEU N N 119.478 0.091 2
564 65 LEU HD1 H -0.026 0.014 2
565 65 LEU HD2 H -0.514 0.009 2
566 66 GLY C C 174.001 0.000 2
567 66 GLY CA C 47.654 0.058 2
568 66 GLY HA2 H 3.402 0.009 2
569 66 GLY HA3 H 4.033 0.007 2
570 66 GLY H H 8.006 0.008 2
571 66 GLY N N 104.542 0.106 2
572 67 LYS C C 176.024 0.000 2
573 67 LYS CA C 57.304 0.062 2
574 67 LYS CB C 32.979 0.066 2
575 67 LYS CD C 29.307 0.042 2
576 67 LYS CE C 41.359 0.130 2
577 67 LYS CG C 25.392 0.070 2
578 67 LYS HA H 4.172 0.007 2
579 67 LYS HB2 H 1.549 0.013 2
580 67 LYS HB3 H 1.999 0.016 2
581 67 LYS HD2 H 1.428 0.005 2
582 67 LYS HD3 H 1.573 0.001 2
583 67 LYS HE2 H 2.891 0.010 2
584 67 LYS HE3 H 3.021 0.006 2
585 67 LYS HG2 H 1.693 0.006 2
586 67 LYS HG3 H 1.430 0.008 2
587 67 LYS H H 7.860 0.009 2
588 67 LYS N N 116.448 0.094 2
589 68 MET C C 175.692 0.000 2
590 68 MET CA C 55.616 0.052 2
591 68 MET CB C 29.202 0.050 2
592 68 MET CG C 32.660 0.021 2
593 68 MET HA H 4.345 0.003 2
594 68 MET HB2 H 2.385 0.003 2
595 68 MET HG2 H 2.831 0.006 2
596 68 MET H H 7.969 0.006 2
597 68 MET N N 119.380 0.104 2
598 69 SER C C 174.393 0.000 2
599 69 SER CA C 55.584 0.044 2
600 69 SER CB C 65.940 0.073 2
601 69 SER HA H 4.819 0.014 2
602 69 SER HB2 H 3.784 0.013 2
603 69 SER HB3 H 3.599 0.011 2
604 69 SER H H 8.533 0.005 2
605 69 SER N N 114.013 0.106 2
606 70 LYS C C 175.583 0.000 2
607 70 LYS CA C 55.174 0.060 2
608 70 LYS CB C 32.751 0.111 2
609 70 LYS CD C 29.396 0.041 2
610 70 LYS CE C 41.981 0.066 2
611 70 LYS CG C 24.979 0.070 2
612 70 LYS HA H 4.592 0.006 2
613 70 LYS HB2 H 2.076 0.004 2
614 70 LYS HD3 H 1.563 0.010 2
615 70 LYS HE3 H 2.761 0.004 2
616 70 LYS HG2 H 1.463 0.012 2
617 70 LYS HG3 H 1.322 0.008 2
618 70 LYS H H 8.587 0.004 2
619 70 LYS N N 123.715 0.111 2
620 71 ASN C C 176.905 0.000 2
621 71 ASN CA C 52.982 0.065 2
622 71 ASN CB C 38.509 0.116 2
623 71 ASN HA H 4.645 0.008 2
624 71 ASN HB2 H 2.676 0.004 2
625 71 ASN HB3 H 2.948 0.006 2
626 71 ASN HD21 H 7.631 0.002 2
627 71 ASN HD22 H 7.028 0.002 2
628 71 ASN H H 8.443 0.010 2
629 71 ASN N N 121.539 0.109 2
630 71 ASN ND2 N 114.654 0.065 2
631 72 GLU C C 178.923 0.000 2
632 72 GLU CA C 60.119 0.068 2
633 72 GLU CB C 29.568 0.042 2
634 72 GLU CG C 36.285 0.038 2
635 72 GLU HA H 3.931 0.007 2
636 72 GLU HB2 H 2.098 0.009 2
637 72 GLU HG2 H 2.380 0.006 2
638 72 GLU H H 9.181 0.004 2
639 72 GLU N N 127.497 0.090 2
640 73 GLU C C 177.117 0.000 2
641 73 GLU CA C 58.306 0.042 2
642 73 GLU CB C 28.902 0.073 2
643 73 GLU CG C 35.869 0.063 2
644 73 GLU HA H 4.132 0.010 2
645 73 GLU HB2 H 1.991 0.007 2
646 73 GLU HG3 H 2.247 0.026 2
647 73 GLU H H 9.170 0.002 2
648 73 GLU N N 118.713 0.115 2
649 74 ASP CA C 54.757 0.031 2
650 74 ASP CB C 41.226 0.058 2
651 74 ASP HA H 4.719 0.003 2
652 74 ASP HB2 H 2.558 0.008 2
653 74 ASP HB3 H 2.696 0.009 2
654 74 ASP H H 7.827 0.005 2
655 74 ASP N N 117.044 0.113 2
656 75 VAL C C 173.320 0.000 2
657 75 VAL CA C 63.706 0.082 2
658 75 VAL CB C 29.024 0.065 2
659 75 VAL CG1 C 23.265 0.097 2
660 75 VAL CG2 C 21.482 0.030 2
661 75 VAL HA H 3.542 0.005 2
662 75 VAL HB H 2.455 0.004 2
663 75 VAL H H 7.530 0.004 2
664 75 VAL N N 122.290 0.110 2
665 75 VAL HG1 H 1.011 0.007 2
666 75 VAL HG2 H 0.999 0.003 2
667 76 SER CA C 53.995 0.049 2
668 76 SER CB C 65.315 0.060 2
669 76 SER HA H 5.136 0.008 2
670 76 SER HB2 H 4.087 0.013 2
671 76 SER HB3 H 3.306 0.017 2
672 76 SER H H 7.290 0.005 2
673 76 SER N N 125.098 0.099 2
674 77 PRO C C 177.213 0.000 2
675 77 PRO CA C 62.725 0.090 2
676 77 PRO CB C 33.074 0.020 2
677 77 PRO CD C 50.914 0.032 2
678 77 PRO CG C 26.212 0.049 2
679 77 PRO HA H 4.618 0.006 2
680 77 PRO HB3 H 1.953 0.012 2
681 77 PRO HD2 H 3.882 0.014 2
682 77 PRO HD3 H 4.012 0.009 2
683 77 PRO HG2 H 1.941 0.017 2
684 77 PRO HG3 H 2.096 0.011 2
685 78 SER C C 176.011 0.000 2
686 78 SER CA C 58.774 0.067 2
687 78 SER CB C 63.503 0.065 2
688 78 SER HA H 4.164 0.005 2
689 78 SER HB2 H 3.871 0.015 2
690 78 SER HB3 H 3.781 0.004 2
691 78 SER H H 7.866 0.011 2
692 78 SER N N 113.380 0.125 2
693 79 LEU C C 177.852 0.000 2
694 79 LEU CA C 53.466 0.074 2
695 79 LEU CB C 40.729 0.074 2
696 79 LEU CD1 C 25.442 0.051 2
697 79 LEU CD2 C 23.210 0.100 2
698 79 LEU CG C 27.218 0.039 2
699 79 LEU HA H 4.420 0.005 2
700 79 LEU HB3 H 1.666 0.005 2
701 79 LEU HG H 1.811 0.006 2
702 79 LEU H H 8.865 0.009 2
703 79 LEU N N 127.998 0.095 2
704 79 LEU HD1 H 0.888 0.005 2
705 79 LEU HD2 H 0.623 0.009 2
706 80 GLU C C 178.135 0.000 2
707 80 GLU CA C 57.952 0.049 2
708 80 GLU CB C 29.511 0.025 2
709 80 GLU CG C 35.916 0.028 2
710 80 GLU HA H 4.035 0.004 2
711 80 GLU HB2 H 1.912 0.006 2
712 80 GLU HG3 H 2.257 0.004 2
713 80 GLU H H 7.850 0.003 2
714 80 GLU N N 123.127 0.101 2
715 81 GLY CA C 45.488 0.049 2
716 81 GLY HA2 H 3.725 0.007 2
717 81 GLY HA3 H 4.231 0.006 2
718 81 GLY H H 9.105 0.005 2
719 81 GLY N N 114.863 0.118 2
720 82 LEU C C 178.151 0.000 2
721 82 LEU CA C 55.262 0.066 2
722 82 LEU CB C 41.270 0.087 2
723 82 LEU CD1 C 25.910 0.052 2
724 82 LEU CD2 C 23.343 0.062 2
725 82 LEU CG C 27.906 0.241 2
726 82 LEU HA H 4.656 0.006 2
727 82 LEU HB2 H 1.786 0.006 2
728 82 LEU HB3 H 1.680 0.011 2
729 82 LEU HG H 1.712 0.015 2
730 82 LEU H H 7.345 0.005 2
731 82 LEU N N 121.978 0.094 2
732 82 LEU HD1 H 0.844 0.005 2
733 82 LEU HD2 H 0.828 0.006 2
734 83 THR C C 174.965 0.000 2
735 83 THR CA C 60.606 0.042 2
736 83 THR CB C 71.326 0.111 2
737 83 THR CG2 C 21.817 0.044 2
738 83 THR HA H 4.394 0.007 2
739 83 THR HB H 4.757 0.004 2
740 83 THR H H 9.391 0.032 2
741 83 THR N N 116.189 0.097 2
742 83 THR HG2 H 1.361 0.008 1
743 84 GLU C C 178.553 0.000 2
744 84 GLU CA C 60.069 0.093 2
745 84 GLU CB C 29.463 0.045 2
746 84 GLU CG C 36.349 0.068 2
747 84 GLU HA H 3.979 0.015 2
748 84 GLU HB2 H 2.096 0.020 2
749 84 GLU HB3 H 2.076 0.011 2
750 84 GLU HG2 H 2.379 0.014 2
751 84 GLU HG3 H 2.277 0.010 2
752 84 GLU H H 8.900 0.003 2
753 84 GLU N N 121.624 0.120 2
754 85 LYS C C 179.562 0.000 2
755 85 LYS CA C 59.428 0.086 2
756 85 LYS CB C 32.616 0.013 2
757 85 LYS CD C 29.300 0.084 2
758 85 LYS CE C 42.151 0.023 2
759 85 LYS CG C 25.146 0.082 2
760 85 LYS HA H 4.127 0.006 2
761 85 LYS HB2 H 1.868 0.027 2
762 85 LYS HB3 H 1.801 0.001 2
763 85 LYS HD2 H 1.724 0.018 2
764 85 LYS HE2 H 3.011 0.010 2
765 85 LYS HG2 H 1.427 0.011 2
766 85 LYS HG3 H 1.534 0.019 2
767 85 LYS H H 8.120 0.006 2
768 85 LYS N N 119.489 0.106 2
769 86 GLU C C 178.928 0.000 2
770 86 GLU CA C 58.648 0.037 2
771 86 GLU CB C 30.323 0.051 2
772 86 GLU CG C 37.530 0.056 2
773 86 GLU HA H 4.178 0.008 2
774 86 GLU HB2 H 1.536 0.015 2
775 86 GLU HB3 H 2.406 0.025 2
776 86 GLU HG3 H 2.332 0.018 2
777 86 GLU H H 7.630 0.009 2
778 86 GLU N N 123.155 0.109 2
779 87 ILE C C 178.295 0.000 2
780 87 ILE CA C 63.604 0.072 2
781 87 ILE CB C 36.558 0.028 2
782 87 ILE CD1 C 11.493 0.055 2
783 87 ILE CG1 C 28.537 0.073 2
784 87 ILE CG2 C 17.314 0.022 2
785 87 ILE HA H 3.710 0.007 2
786 87 ILE HB H 2.080 0.006 2
787 87 ILE HG12 H 1.281 0.011 2
788 87 ILE HG13 H 1.566 0.008 2
789 87 ILE H H 8.675 0.006 2
790 87 ILE N N 122.867 0.105 2
791 87 ILE HD1 H 0.810 0.004 1
792 87 ILE HG2 H 0.926 0.003 1
793 88 ASN C C 178.446 0.000 2
794 88 ASN CA C 56.429 0.077 2
795 88 ASN CB C 37.733 0.074 2
796 88 ASN HA H 4.508 0.011 2
797 88 ASN HB2 H 2.990 0.017 2
798 88 ASN HB3 H 2.957 0.012 2
799 88 ASN HD21 H 7.616 0.002 2
800 88 ASN HD22 H 7.058 0.003 2
801 88 ASN H H 8.430 0.007 2
802 88 ASN N N 120.408 0.092 2
803 88 ASN ND2 N 113.541 0.038 2
804 89 THR C C 176.055 0.000 2
805 89 THR CA C 67.148 0.074 2
806 89 THR CB C 68.721 0.092 2
807 89 THR CG2 C 22.473 0.040 2
808 89 THR HA H 4.011 0.004 2
809 89 THR HB H 4.898 0.007 2
810 89 THR H H 8.376 0.004 2
811 89 THR N N 121.546 0.120 2
812 89 THR HG2 H 1.552 0.004 1
813 90 LEU C C 177.644 0.000 2
814 90 LEU CA C 58.658 0.046 2
815 90 LEU CB C 41.457 0.038 2
816 90 LEU CD1 C 24.160 0.035 2
817 90 LEU CD2 C 27.837 0.049 2
818 90 LEU CG C 27.495 0.115 2
819 90 LEU HA H 4.072 0.011 2
820 90 LEU HB2 H 1.303 0.007 2
821 90 LEU HB3 H 2.392 0.006 2
822 90 LEU HG H 1.530 0.006 2
823 90 LEU H H 8.484 0.009 2
824 90 LEU N N 125.805 0.112 2
825 90 LEU HD1 H 1.079 0.007 2
826 90 LEU HD2 H 0.889 0.016 2
827 91 ASN C C 178.462 0.000 2
828 91 ASN CA C 55.551 0.050 2
829 91 ASN CB C 37.086 0.038 2
830 91 ASN HA H 4.544 0.015 2
831 91 ASN HB2 H 2.956 0.003 2
832 91 ASN HB3 H 2.991 0.019 2
833 91 ASN HD21 H 6.803 0.004 2
834 91 ASN HD22 H 7.713 0.003 2
835 91 ASN H H 8.723 0.004 2
836 91 ASN N N 120.094 0.100 2
837 91 ASN ND2 N 111.751 0.048 2
838 92 ASP C C 179.234 0.000 2
839 92 ASP CA C 57.537 0.057 2
840 92 ASP CB C 40.928 0.034 2
841 92 ASP HA H 4.457 0.006 2
842 92 ASP HB2 H 2.696 0.003 2
843 92 ASP HB3 H 2.843 0.010 2
844 92 ASP H H 8.186 0.011 2
845 92 ASP N N 123.786 0.093 2
846 93 TRP C C 178.105 0.000 2
847 93 TRP CA C 61.254 0.101 2
848 93 TRP CB C 29.282 0.051 2
849 93 TRP HA H 4.370 0.007 2
850 93 TRP HB2 H 2.881 0.018 2
851 93 TRP HB3 H 3.455 0.014 2
852 93 TRP HD1 H 7.060 0.011 2
853 93 TRP HE1 H 9.727 0.007 2
854 93 TRP H H 8.333 0.005 2
855 93 TRP HZ2 H 7.459 0.003 2
856 93 TRP N N 121.697 0.078 2
857 93 TRP NE1 N 129.515 0.063 2
858 94 GLU C C 177.510 0.000 2
859 94 GLU CA C 60.615 0.054 2
860 94 GLU CB C 30.273 0.039 2
861 94 GLU CG C 36.059 0.037 2
862 94 GLU HA H 3.691 0.008 2
863 94 GLU HB2 H 1.890 0.004 2
864 94 GLU HB3 H 2.587 0.010 2
865 94 GLU HG2 H 2.194 0.008 2
866 94 GLU HG3 H 2.281 0.011 2
867 94 GLU H H 8.734 0.005 2
868 94 GLU N N 121.304 0.086 2
869 95 THR C C 177.429 0.000 2
870 95 THR CA C 66.338 0.036 2
871 95 THR CB C 68.907 0.096 2
872 95 THR CG2 C 22.145 0.032 2
873 95 THR HA H 4.093 0.005 2
874 95 THR HB H 4.351 0.007 2
875 95 THR H H 8.146 0.003 2
876 95 THR N N 115.691 0.093 2
877 95 THR HG2 H 1.321 0.002 1
878 96 LYS C C 179.629 0.000 2
879 96 LYS CA C 59.803 0.054 2
880 96 LYS CB C 32.617 0.060 2
881 96 LYS CD C 29.132 0.057 2
882 96 LYS CE C 41.951 0.061 2
883 96 LYS CG C 25.980 0.057 2
884 96 LYS HA H 4.047 0.005 2
885 96 LYS HB2 H 1.888 0.012 2
886 96 LYS HB3 H 2.117 0.017 2
887 96 LYS HD2 H 1.113 0.016 2
888 96 LYS HD3 H 1.306 0.015 2
889 96 LYS HE3 H 2.579 0.007 2
890 96 LYS HG2 H 1.509 0.007 2
891 96 LYS HG3 H 1.317 0.010 2
892 96 LYS H H 8.039 0.004 2
893 96 LYS N N 124.325 0.125 2
894 97 PHE C C 178.061 0.000 2
895 97 PHE CA C 61.104 0.093 2
896 97 PHE CB C 37.074 0.042 2
897 97 PHE HA H 4.135 0.006 2
898 97 PHE HB2 H 1.585 0.011 2
899 97 PHE HB3 H 2.838 0.009 2
900 97 PHE H H 9.155 0.003 2
901 97 PHE N N 123.354 0.125 2
902 97 PHE HD1 H 6.788 0.000 4
903 97 PHE HE1 H 6.925 0.000 4
904 98 GLU C C 178.677 0.000 2
905 98 GLU CA C 58.966 0.046 2
906 98 GLU CB C 29.940 0.043 2
907 98 GLU CG C 37.233 0.066 2
908 98 GLU HA H 4.413 0.006 2
909 98 GLU HB2 H 2.185 0.006 2
910 98 GLU HB3 H 2.408 0.007 2
911 98 GLU HG2 H 2.808 0.006 2
912 98 GLU HG3 H 2.535 0.008 2
913 98 GLU H H 8.597 0.004 2
914 98 GLU N N 118.464 0.092 2
915 99 ALA C C 178.361 0.000 2
916 99 ALA CA C 53.554 0.025 2
917 99 ALA CB C 18.916 0.035 2
918 99 ALA HA H 4.271 0.003 2
919 99 ALA H H 7.401 0.004 2
920 99 ALA N N 119.284 0.109 2
921 99 ALA HB H 1.495 0.005 1
922 100 LYS CA C 57.328 0.049 2
923 100 LYS CB C 35.532 0.042 2
924 100 LYS CD C 28.989 0.042 2
925 100 LYS CE C 41.865 0.023 2
926 100 LYS CG C 24.531 0.057 2
927 100 LYS HA H 4.206 0.004 2
928 100 LYS HB2 H 0.761 0.012 2
929 100 LYS HB3 H 0.888 0.008 2
930 100 LYS HD2 H 1.316 0.008 2
931 100 LYS HE2 H 2.828 0.007 2
932 100 LYS HG2 H 0.959 0.027 2
933 100 LYS HG3 H 0.871 0.003 2
934 100 LYS H H 7.276 0.009 2
935 100 LYS N N 117.371 0.080 2
936 101 TYR CA C 53.929 0.047 2
937 101 TYR CB C 40.359 0.047 2
938 101 TYR HA H 5.496 0.006 2
939 101 TYR HB2 H 3.501 0.006 2
940 101 TYR HB3 H 2.752 0.009 2
941 101 TYR H H 8.886 0.006 2
942 101 TYR N N 122.404 0.099 2
943 101 TYR HD1 H 6.768 0.017 4
944 101 TYR HE1 H 6.921 0.012 4
945 102 PRO C C 176.054 0.000 2
946 102 PRO CA C 62.599 0.059 2
947 102 PRO CB C 32.623 0.032 2
948 102 PRO CD C 50.481 0.053 2
949 102 PRO CG C 27.739 0.077 2
950 102 PRO HA H 4.595 0.006 2
951 102 PRO HB2 H 1.871 0.010 2
952 102 PRO HD2 H 4.582 0.011 2
953 102 PRO HD3 H 4.168 0.009 2
954 102 PRO HG2 H 2.351 0.011 2
955 102 PRO HG3 H 2.220 0.008 2
956 103 VAL C C 177.700 0.000 2
957 103 VAL CA C 62.090 0.079 2
958 103 VAL CB C 32.141 0.113 2
959 103 VAL CG1 C 21.479 0.038 2
960 103 VAL CG2 C 22.516 0.053 2
961 103 VAL HA H 4.066 0.008 2
962 103 VAL HB H 1.819 0.004 2
963 103 VAL H H 8.356 0.007 2
964 103 VAL N N 123.812 0.100 2
965 103 VAL HG1 H 0.718 0.006 2
966 103 VAL HG2 H 0.584 0.010 2
967 104 VAL C C 176.316 0.000 2
968 104 VAL CA C 60.553 0.045 2
969 104 VAL CB C 33.294 0.063 2
970 104 VAL CG1 C 21.690 0.162 2
971 104 VAL CG2 C 18.532 0.020 2
972 104 VAL HA H 4.533 0.005 2
973 104 VAL HB H 2.085 0.003 2
974 104 VAL H H 8.619 0.013 2
975 104 VAL N N 119.883 0.102 2
976 104 VAL HG1 H 0.794 0.003 2
977 104 VAL HG2 H 0.030 0.003 2
978 105 GLY C C 175.938 0.000 2
979 105 GLY CA C 46.934 0.072 2
980 105 GLY HA2 H 4.316 0.011 2
981 105 GLY HA3 H 4.524 0.012 2
982 105 GLY H H 7.263 0.002 2
983 105 GLY N N 108.022 0.121 2
984 106 ARG C C 173.602 0.000 2
985 106 ARG CA C 54.063 0.058 2
986 106 ARG CB C 34.118 0.045 2
987 106 ARG CD C 43.300 0.044 2
988 106 ARG CG C 27.025 0.088 2
989 106 ARG HA H 5.382 0.031 2
990 106 ARG HB3 H 1.784 0.015 2
991 106 ARG HD3 H 3.145 0.005 2
992 106 ARG HE H 7.326 0.008 2
993 106 ARG HG2 H 1.442 0.013 2
994 106 ARG HG3 H 1.542 0.008 2
995 106 ARG H H 8.882 0.004 2
996 106 ARG N N 122.334 0.116 2
997 106 ARG NE N 85.610 0.023 2
998 107 VAL C C 176.994 0.000 2
999 107 VAL CA C 61.055 0.047 2
1000 107 VAL CB C 32.529 0.026 2
1001 107 VAL CG1 C 22.595 0.035 2
1002 107 VAL CG2 C 20.797 0.053 2
1003 107 VAL HA H 5.131 0.009 2
1004 107 VAL HB H 1.907 0.006 2
1005 107 VAL H H 8.851 0.006 2
1006 107 VAL N N 124.755 0.089 2
1007 107 VAL HG1 H 0.650 0.004 2
1008 107 VAL HG2 H 0.929 0.004 2
1009 108 VAL C C 174.820 0.000 2
1010 108 VAL CA C 60.487 0.068 2
1011 108 VAL CB C 33.769 0.041 2
1012 108 VAL CG1 C 18.990 0.043 2
1013 108 VAL CG2 C 21.511 0.039 2
1014 108 VAL HA H 4.509 0.003 2
1015 108 VAL HB H 2.205 0.006 2
1016 108 VAL H H 8.766 0.005 2
1017 108 VAL N N 125.938 0.116 2
1018 108 VAL HG1 H 0.792 0.007 2
1019 108 VAL HG2 H 0.865 0.011 2
1020 109 SER CA C 60.111 0.133 2
1021 109 SER CB C 64.785 0.114 2
1022 109 SER HA H 4.295 0.009 2
1023 109 SER HB3 H 3.890 0.004 2
1024 109 SER H H 7.965 0.002 2
1025 109 SER N N 123.903 0.094 2
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