data_5683
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
QR6 structure
;
_BMRB_accession_number 5683
_BMRB_flat_file_name bmr5683.str
_Entry_type original
_Submission_date 2003-02-01
_Accession_date 2003-02-03
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Xu Duanxiang . .
2 Liu Gaohua . .
3 Xiao Rong . .
4 Acton Thomas . .
5 Montelione Gaetano . .
6 Szyperski Thomas . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 576
"13C chemical shifts" 449
"15N chemical shifts" 105
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2004-09-14 original author .
stop_
_Original_release_date 2004-09-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR structure of the hypothetical protein AQ-1857 encoded by the YI57
gene from Aquifex aeolicus reveals a novel protein fold.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 14997575
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Xu Duanxiang . .
2 Liu Gaohua . .
3 Xiao Rong . .
4 Acton Thomas . .
5 Goldsmith-Fischman S. . .
6 Honig B. . .
7 Montelione Gaetano . .
8 Szyperski Thomas . .
stop_
_Journal_abbreviation Proteins
_Journal_volume 54
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 794
_Page_last 796
_Year 2004
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_QR6
_Saveframe_category molecular_system
_Mol_system_name QR6
_Abbreviation_common QR6
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'QR6 monomer' $QR6_monomer
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_QR6_monomer
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Hypothetical protein AQ_1857'
_Abbreviation_common AQ_1857
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 116
_Mol_residue_sequence
;
MQEQAQQFIFKVTDKAVEEI
KKVAQENNIENPILRIRVVP
GGCSGFQYAMGFDDTVEEGD
HVFEYDGVKVVIDPFSMPYV
NGAELDYVVDFMGGGFTIRN
PNATGSCGCGSSFSCG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLN 3 GLU 4 GLN 5 ALA
6 GLN 7 GLN 8 PHE 9 ILE 10 PHE
11 LYS 12 VAL 13 THR 14 ASP 15 LYS
16 ALA 17 VAL 18 GLU 19 GLU 20 ILE
21 LYS 22 LYS 23 VAL 24 ALA 25 GLN
26 GLU 27 ASN 28 ASN 29 ILE 30 GLU
31 ASN 32 PRO 33 ILE 34 LEU 35 ARG
36 ILE 37 ARG 38 VAL 39 VAL 40 PRO
41 GLY 42 GLY 43 CYS 44 SER 45 GLY
46 PHE 47 GLN 48 TYR 49 ALA 50 MET
51 GLY 52 PHE 53 ASP 54 ASP 55 THR
56 VAL 57 GLU 58 GLU 59 GLY 60 ASP
61 HIS 62 VAL 63 PHE 64 GLU 65 TYR
66 ASP 67 GLY 68 VAL 69 LYS 70 VAL
71 VAL 72 ILE 73 ASP 74 PRO 75 PHE
76 SER 77 MET 78 PRO 79 TYR 80 VAL
81 ASN 82 GLY 83 ALA 84 GLU 85 LEU
86 ASP 87 TYR 88 VAL 89 VAL 90 ASP
91 PHE 92 MET 93 GLY 94 GLY 95 GLY
96 PHE 97 THR 98 ILE 99 ARG 100 ASN
101 PRO 102 ASN 103 ALA 104 THR 105 GLY
106 SER 107 CYS 108 GLY 109 CYS 110 GLY
111 SER 112 SER 113 PHE 114 SER 115 CYS
116 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-26
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 5790 AQ 100.00 124 100.00 100.00 1.37e-78
PDB 1NWB "Solution Nmr Structure Of Protein Aq_1857 From Aquifex Aeolicus: Northeast Structural Genomics Consortium Target Qr6" 99.14 124 100.00 100.00 1.12e-77
GB AAC07682 "hypothetical protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78
REF NP_214277 "hypothetical protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78
REF WP_010881213 "hypothetical protein [Aquifex aeolicus]" 100.00 116 100.00 100.00 3.61e-78
SP O67709 "RecName: Full=Protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$QR6_monomer 'Aquifex aeolicus' 63363 Eubacteria . Aquifex aeolicus
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
$QR6_monomer 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$QR6_monomer 1.08 mM '[U-100% 13C; U-100% 15N]'
stop_
save_
############################
# Computer software used #
############################
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Task
'peak assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 750
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.1 n/a
temperature 293 0.2 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 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) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Ex-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'QR6 monomer'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 1 MET CA C 56.913 0.2 .
2 . 1 MET HA H 4.282 0.02 .
3 . 1 MET CB C 33.000 0.2 .
4 . 1 MET HB2 H 2.046 0.02 .
5 . 1 MET HB3 H 1.967 0.02 .
6 . 1 MET CG C 34.000 0.2 .
7 . 1 MET HG2 H 2.286 0.02 .
8 . 1 MET C C 172.558 0.2 .
9 . 2 GLN N N 121.720 0.2 .
10 . 2 GLN H H 8.354 0.02 .
11 . 2 GLN CA C 55.821 0.2 .
12 . 2 GLN HA H 4.368 0.02 .
13 . 2 GLN CB C 29.230 0.2 .
14 . 2 GLN HB2 H 2.097 0.02 .
15 . 2 GLN HB3 H 2.008 0.02 .
16 . 2 GLN CG C 33.702 0.2 .
17 . 2 GLN HG2 H 2.386 0.02 .
18 . 2 GLN HG3 H 2.270 0.02 .
19 . 2 GLN C C 172.128 0.2 .
20 . 3 GLU N N 124.198 0.2 .
21 . 3 GLU H H 8.677 0.02 .
22 . 3 GLU CA C 56.531 0.2 .
23 . 3 GLU HA H 4.254 0.02 .
24 . 3 GLU CB C 30.177 0.2 .
25 . 3 GLU HB2 H 1.938 0.02 .
26 . 3 GLU HB3 H 2.009 0.02 .
27 . 3 GLU CG C 35.833 0.2 .
28 . 3 GLU HG2 H 2.281 0.02 .
29 . 3 GLU C C 173.937 0.2 .
30 . 4 GLN N N 122.200 0.2 .
31 . 4 GLN H H 8.523 0.02 .
32 . 4 GLN CA C 55.381 0.2 .
33 . 4 GLN HA H 4.324 0.02 .
34 . 4 GLN CB C 29.166 0.2 .
35 . 4 GLN HB2 H 1.982 0.02 .
36 . 4 GLN HB3 H 2.108 0.02 .
37 . 4 GLN CG C 33.670 0.2 .
38 . 4 GLN HG2 H 2.364 0.02 .
39 . 4 GLN C C 173.358 0.2 .
40 . 5 ALA N N 125.612 0.2 .
41 . 5 ALA H H 8.417 0.02 .
42 . 5 ALA CA C 52.217 0.2 .
43 . 5 ALA HA H 4.269 0.02 .
44 . 5 ALA HB H 1.365 0.02 .
45 . 5 ALA CB C 18.942 0.2 .
46 . 5 ALA C C 178.251 0.2 .
47 . 6 GLN N N 120.110 0.2 .
48 . 6 GLN H H 8.277 0.02 .
49 . 6 GLN CA C 55.341 0.2 .
50 . 6 GLN HA H 4.193 0.02 .
51 . 6 GLN CB C 29.367 0.2 .
52 . 6 GLN HB2 H 1.859 0.02 .
53 . 6 GLN CG C 33.606 0.2 .
54 . 6 GLN HG2 H 2.181 0.02 .
55 . 6 GLN HE21 H 7.246 0.02 .
56 . 6 GLN HE22 H 7.509 0.02 .
57 . 6 GLN C C 174.953 0.2 .
58 . 7 GLN N N 122.044 0.2 .
59 . 7 GLN H H 8.236 0.02 .
60 . 7 GLN CA C 55.367 0.2 .
61 . 7 GLN HA H 4.215 0.02 .
62 . 7 GLN CB C 29.668 0.2 .
63 . 7 GLN HB2 H 1.870 0.02 .
64 . 7 GLN CG C 33.531 0.2 .
65 . 7 GLN HG2 H 2.062 0.02 .
66 . 7 GLN HG3 H 2.192 0.02 .
67 . 7 GLN HE22 H 7.470 0.02 .
68 . 8 PHE N N 121.626 0.2 .
69 . 8 PHE H H 8.406 0.02 .
70 . 8 PHE CA C 56.894 0.2 .
71 . 8 PHE HA H 4.981 0.02 .
72 . 8 PHE CB C 40.494 0.2 .
73 . 8 PHE HB2 H 2.980 0.02 .
74 . 8 PHE HD1 H 7.039 0.02 .
75 . 8 PHE HE1 H 7.010 0.02 .
76 . 8 PHE CD1 C 131.591 0.2 .
77 . 8 PHE HZ H 6.781 0.02 .
78 . 8 PHE C C 178.284 0.2 .
79 . 9 ILE N N 123.023 0.2 .
80 . 9 ILE H H 8.719 0.02 .
81 . 9 ILE CA C 59.266 0.2 .
82 . 9 ILE HA H 4.573 0.02 .
83 . 9 ILE CB C 41.627 0.2 .
84 . 9 ILE HB H 1.653 0.02 .
85 . 9 ILE HG2 H 0.839 0.02 .
86 . 9 ILE CG2 C 17.166 0.2 .
87 . 9 ILE CG1 C 27.355 0.2 .
88 . 9 ILE HG12 H 1.176 0.02 .
89 . 9 ILE HG13 H 1.414 0.02 .
90 . 9 ILE HD1 H 0.874 0.02 .
91 . 9 ILE CD1 C 12.848 0.2 .
92 . 9 ILE C C 175.483 0.2 .
93 . 10 PHE N N 126.310 0.2 .
94 . 10 PHE H H 7.437 0.02 .
95 . 10 PHE CA C 58.721 0.2 .
96 . 10 PHE HA H 4.370 0.02 .
97 . 10 PHE CB C 40.702 0.2 .
98 . 10 PHE HB2 H 1.358 0.02 .
99 . 10 PHE HB3 H 1.991 0.02 .
100 . 10 PHE HD1 H 6.885 0.02 .
101 . 10 PHE HE1 H 6.740 0.02 .
102 . 10 PHE CD1 C 131.466 0.2 .
103 . 10 PHE CE1 C 129.597 0.2 .
104 . 10 PHE C C 171.663 0.2 .
105 . 11 LYS N N 128.450 0.2 .
106 . 11 LYS H H 7.855 0.02 .
107 . 11 LYS CA C 55.319 0.2 .
108 . 11 LYS HA H 4.492 0.02 .
109 . 11 LYS CB C 34.526 0.2 .
110 . 11 LYS HB2 H 1.709 0.02 .
111 . 11 LYS HB3 H 1.394 0.02 .
112 . 11 LYS CG C 24.833 0.2 .
113 . 11 LYS HG2 H 1.115 0.02 .
114 . 11 LYS HG3 H 1.296 0.02 .
115 . 11 LYS CD C 28.886 0.2 .
116 . 11 LYS HD2 H 1.527 0.02 .
117 . 11 LYS CE C 41.824 0.2 .
118 . 11 LYS HE2 H 2.769 0.02 .
119 . 11 LYS C C 172.162 0.2 .
120 . 12 VAL N N 120.337 0.2 .
121 . 12 VAL H H 7.105 0.02 .
122 . 12 VAL CA C 60.141 0.2 .
123 . 12 VAL HA H 4.571 0.02 .
124 . 12 VAL CB C 33.545 0.2 .
125 . 12 VAL HB H 0.742 0.02 .
126 . 12 VAL HG1 H 0.599 0.02 .
127 . 12 VAL HG2 H 0.782 0.02 .
128 . 12 VAL CG1 C 22.231 0.2 .
129 . 12 VAL CG2 C 23.486 0.2 .
130 . 12 VAL C C 172.356 0.2 .
131 . 13 THR N N 118.311 0.2 .
132 . 13 THR H H 8.592 0.02 .
133 . 13 THR CA C 61.238 0.2 .
134 . 13 THR HA H 4.287 0.02 .
135 . 13 THR CB C 70.193 0.2 .
136 . 13 THR HB H 4.746 0.02 .
137 . 13 THR HG2 H 1.176 0.02 .
138 . 13 THR HG1 H 5.875 0.02 .
139 . 13 THR CG2 C 20.814 0.2 .
140 . 13 THR C C 174.410 0.2 .
141 . 14 ASP N N 121.849 0.2 .
142 . 14 ASP H H 8.844 0.02 .
143 . 14 ASP CA C 57.449 0.2 .
144 . 14 ASP HA H 4.331 0.02 .
145 . 14 ASP CB C 39.395 0.2 .
146 . 14 ASP HB2 H 2.660 0.02 .
147 . 14 ASP HB3 H 2.804 0.02 .
148 . 14 ASP C C 172.886 0.2 .
149 . 15 LYS N N 120.239 0.2 .
150 . 15 LYS H H 8.613 0.02 .
151 . 15 LYS CA C 58.097 0.2 .
152 . 15 LYS HA H 4.177 0.02 .
153 . 15 LYS CB C 32.351 0.2 .
154 . 15 LYS HB2 H 1.920 0.02 .
155 . 15 LYS HB3 H 2.023 0.02 .
156 . 15 LYS CG C 24.883 0.2 .
157 . 15 LYS HG2 H 1.551 0.02 .
158 . 15 LYS HG3 H 1.663 0.02 .
159 . 15 LYS CD C 28.323 0.2 .
160 . 15 LYS HD2 H 1.843 0.02 .
161 . 15 LYS HD3 H 1.813 0.02 .
162 . 15 LYS CE C 41.880 0.2 .
163 . 15 LYS HE2 H 2.912 0.02 .
164 . 15 LYS HE3 H 3.017 0.02 .
165 . 16 ALA N N 121.876 0.2 .
166 . 16 ALA H H 7.835 0.02 .
167 . 16 ALA CA C 55.344 0.2 .
168 . 16 ALA HA H 4.098 0.02 .
169 . 16 ALA HB H 1.445 0.02 .
170 . 16 ALA CB C 17.819 0.2 .
171 . 16 ALA C C 171.842 0.2 .
172 . 17 VAL N N 119.983 0.2 .
173 . 17 VAL H H 8.566 0.02 .
174 . 17 VAL CA C 67.853 0.2 .
175 . 17 VAL HA H 3.318 0.02 .
176 . 17 VAL CB C 31.582 0.2 .
177 . 17 VAL HB H 2.277 0.02 .
178 . 17 VAL HG1 H 0.905 0.02 .
179 . 17 VAL HG2 H 1.022 0.02 .
180 . 17 VAL CG1 C 23.931 0.2 .
181 . 17 VAL CG2 C 21.867 0.2 .
182 . 17 VAL C C 174.661 0.2 .
183 . 18 GLU N N 118.447 0.2 .
184 . 18 GLU H H 8.007 0.02 .
185 . 18 GLU CA C 59.190 0.2 .
186 . 18 GLU HA H 3.907 0.02 .
187 . 18 GLU CB C 29.477 0.2 .
188 . 18 GLU HB2 H 2.156 0.02 .
189 . 18 GLU CG C 35.831 0.2 .
190 . 18 GLU HG2 H 2.366 0.02 .
191 . 18 GLU C C 174.292 0.2 .
192 . 19 GLU N N 119.850 0.2 .
193 . 19 GLU H H 7.826 0.02 .
194 . 19 GLU CA C 58.261 0.2 .
195 . 19 GLU HA H 4.029 0.02 .
196 . 19 GLU CB C 28.520 0.2 .
197 . 19 GLU HB2 H 1.300 0.02 .
198 . 19 GLU HB3 H 1.478 0.02 .
199 . 19 GLU CG C 33.674 0.2 .
200 . 19 GLU HG2 H 0.983 0.02 .
201 . 19 GLU HG3 H 1.236 0.02 .
202 . 19 GLU C C 175.043 0.2 .
203 . 20 ILE N N 122.436 0.2 .
204 . 20 ILE H H 8.927 0.02 .
205 . 20 ILE CA C 65.849 0.2 .
206 . 20 ILE HA H 3.611 0.02 .
207 . 20 ILE CB C 37.654 0.2 .
208 . 20 ILE HB H 1.990 0.02 .
209 . 20 ILE HG2 H 0.940 0.02 .
210 . 20 ILE CG2 C 18.487 0.2 .
211 . 20 ILE CG1 C 27.352 0.2 .
212 . 20 ILE HG12 H 1.201 0.02 .
213 . 20 ILE HG13 H 1.438 0.02 .
214 . 20 ILE HD1 H 0.549 0.02 .
215 . 20 ILE CD1 C 13.771 0.2 .
216 . 20 ILE C C 174.671 0.2 .
217 . 21 LYS N N 118.634 0.2 .
218 . 21 LYS H H 8.371 0.02 .
219 . 21 LYS CA C 60.523 0.2 .
220 . 21 LYS HA H 3.836 0.02 .
221 . 21 LYS CB C 32.093 0.2 .
222 . 21 LYS HB2 H 1.892 0.02 .
223 . 21 LYS CG C 26.862 0.2 .
224 . 21 LYS HG2 H 1.277 0.02 .
225 . 21 LYS HG3 H 1.737 0.02 .
226 . 21 LYS CD C 29.682 0.2 .
227 . 21 LYS HD2 H 1.753 0.02 .
228 . 21 LYS CE C 42.127 0.2 .
229 . 21 LYS HE2 H 2.949 0.02 .
230 . 21 LYS C C 175.575 0.2 .
231 . 22 LYS N N 121.445 0.2 .
232 . 22 LYS H H 7.830 0.02 .
233 . 22 LYS CA C 59.864 0.2 .
234 . 22 LYS HA H 4.051 0.02 .
235 . 22 LYS CB C 32.239 0.2 .
236 . 22 LYS HB2 H 1.930 0.02 .
237 . 22 LYS CG C 24.741 0.2 .
238 . 22 LYS HG2 H 1.320 0.02 .
239 . 22 LYS HG3 H 1.568 0.02 .
240 . 22 LYS CD C 29.290 0.2 .
241 . 22 LYS HD2 H 1.677 0.02 .
242 . 22 LYS CE C 41.740 0.2 .
243 . 22 LYS HE2 H 2.874 0.02 .
244 . 22 LYS C C 175.471 0.2 .
245 . 23 VAL N N 120.889 0.2 .
246 . 23 VAL H H 8.183 0.02 .
247 . 23 VAL CA C 65.741 0.2 .
248 . 23 VAL HA H 3.813 0.02 .
249 . 23 VAL CB C 31.719 0.2 .
250 . 23 VAL HB H 2.274 0.02 .
251 . 23 VAL HG1 H 1.105 0.02 .
252 . 23 VAL HG2 H 1.197 0.02 .
253 . 23 VAL CG1 C 22.290 0.2 .
254 . 23 VAL CG2 C 22.512 0.2 .
255 . 23 VAL C C 174.890 0.2 .
256 . 24 ALA N N 124.581 0.2 .
257 . 24 ALA H H 8.859 0.02 .
258 . 24 ALA CA C 55.557 0.2 .
259 . 24 ALA HA H 3.565 0.02 .
260 . 24 ALA HB H 1.396 0.02 .
261 . 24 ALA CB C 17.223 0.2 .
262 . 24 ALA C C 176.323 0.2 .
263 . 25 GLN N N 119.401 0.2 .
264 . 25 GLN H H 8.337 0.02 .
265 . 25 GLN CA C 58.621 0.2 .
266 . 25 GLN HA H 4.035 0.02 .
267 . 25 GLN CB C 28.020 0.2 .
268 . 25 GLN HB2 H 2.240 0.02 .
269 . 25 GLN CG C 33.702 0.2 .
270 . 25 GLN HG2 H 2.521 0.02 .
271 . 25 GLN HG3 H 2.406 0.02 .
272 . 25 GLN HE21 H 7.51 0.02 .
273 . 25 GLN HE22 H 6.81 0.02 .
274 . 25 GLN C C 172.962 0.2 .
275 . 25 GLN NE2 N 112.07 0.2 .
276 . 26 GLU N N 120.979 0.2 .
277 . 26 GLU H H 8.159 0.02 .
278 . 26 GLU CA C 58.386 0.2 .
279 . 26 GLU HA H 4.046 0.02 .
280 . 26 GLU CB C 29.249 0.2 .
281 . 26 GLU HB2 H 2.091 0.02 .
282 . 26 GLU HB3 H 2.232 0.02 .
283 . 26 GLU CG C 36.163 0.2 .
284 . 26 GLU HG2 H 2.333 0.02 .
285 . 26 GLU HG3 H 2.497 0.02 .
286 . 26 GLU C C 173.004 0.2 .
287 . 27 ASN N N 115.042 0.2 .
288 . 27 ASN H H 7.441 0.02 .
289 . 27 ASN CA C 52.940 0.2 .
290 . 27 ASN HA H 4.722 0.02 .
291 . 27 ASN CB C 40.150 0.2 .
292 . 27 ASN HB2 H 2.295 0.02 .
293 . 27 ASN HB3 H 2.842 0.02 .
294 . 27 ASN C C 172.659 0.2 .
295 . 28 ASN N N 116.438 0.2 .
296 . 28 ASN H H 7.919 0.02 .
297 . 28 ASN CA C 54.393 0.2 .
298 . 28 ASN HA H 4.295 0.02 .
299 . 28 ASN CB C 36.767 0.2 .
300 . 28 ASN HB2 H 2.785 0.02 .
301 . 28 ASN HB3 H 3.026 0.02 .
302 . 28 ASN HD21 H 7.555 0.02 .
303 . 28 ASN HD22 H 6.820 0.02 .
304 . 28 ASN C C 178.386 0.2 .
305 . 29 ILE N N 120.101 0.2 .
306 . 29 ILE H H 8.184 0.02 .
307 . 29 ILE CA C 60.371 0.2 .
308 . 29 ILE HA H 3.924 0.02 .
309 . 29 ILE CB C 38.056 0.2 .
310 . 29 ILE HB H 1.229 0.02 .
311 . 29 ILE HG2 H 0.424 0.02 .
312 . 29 ILE CG2 C 16.899 0.2 .
313 . 29 ILE CG1 C 26.138 0.2 .
314 . 29 ILE HG12 H 0.634 0.02 .
315 . 29 ILE HG13 H 1.107 0.02 .
316 . 29 ILE HD1 H 0.120 0.02 .
317 . 29 ILE CD1 C 12.765 0.2 .
318 . 29 ILE C C 173.552 0.2 .
319 . 30 GLU N N 127.771 0.2 .
320 . 30 GLU H H 8.364 0.02 .
321 . 30 GLU CA C 56.746 0.2 .
322 . 30 GLU HA H 4.083 0.02 .
323 . 30 GLU CB C 30.535 0.2 .
324 . 30 GLU HB2 H 1.880 0.02 .
325 . 30 GLU HB3 H 1.914 0.02 .
326 . 30 GLU CG C 35.962 0.2 .
327 . 30 GLU HG2 H 2.161 0.02 .
328 . 30 GLU HG3 H 2.210 0.02 .
329 . 30 GLU C C 173.492 0.2 .
330 . 31 ASN N N 117.212 0.2 .
331 . 31 ASN H H 8.670 0.02 .
332 . 31 ASN CA C 51.528 0.2 .
333 . 31 ASN HA H 4.853 0.02 .
334 . 31 ASN CB C 38.407 0.2 .
335 . 31 ASN HB2 H 2.737 0.02 .
336 . 31 ASN HB3 H 2.775 0.02 .
337 . 31 ASN HD21 H 7.70 0.02 .
338 . 31 ASN HD22 H 6.92 0.02 .
339 . 31 ASN ND2 N 115.0 0.2 .
340 . 32 PRO CD C 50.190 0.2 .
341 . 32 PRO CA C 63.378 0.2 .
342 . 32 PRO HA H 4.029 0.02 .
343 . 32 PRO CB C 32.451 0.2 .
344 . 32 PRO HB2 H 1.899 0.02 .
345 . 32 PRO HB3 H 1.815 0.02 .
346 . 32 PRO CG C 27.545 0.2 .
347 . 32 PRO HG2 H 1.735 0.02 .
348 . 32 PRO HG3 H 2.240 0.02 .
349 . 32 PRO HD2 H 3.809 0.02 .
350 . 32 PRO HD3 H 3.543 0.02 .
351 . 32 PRO C C 176.137 0.2 .
352 . 33 ILE N N 126.883 0.2 .
353 . 33 ILE H H 8.676 0.02 .
354 . 33 ILE CA C 60.692 0.2 .
355 . 33 ILE HA H 4.724 0.02 .
356 . 33 ILE CB C 38.877 0.2 .
357 . 33 ILE HB H 2.148 0.02 .
358 . 33 ILE HG2 H 0.647 0.02 .
359 . 33 ILE CG2 C 18.334 0.2 .
360 . 33 ILE CG1 C 26.938 0.2 .
361 . 33 ILE HG12 H 1.708 0.02 .
362 . 33 ILE HG13 H 1.735 0.02 .
363 . 33 ILE HD1 H 0.749 0.02 .
364 . 33 ILE CD1 C 13.469 0.2 .
365 . 33 ILE C C 175.092 0.2 .
366 . 34 LEU N N 130.638 0.2 .
367 . 34 LEU H H 9.486 0.02 .
368 . 34 LEU CA C 52.654 0.2 .
369 . 34 LEU HA H 4.533 0.02 .
370 . 34 LEU CB C 44.876 0.2 .
371 . 34 LEU HB2 H 0.940 0.02 .
372 . 34 LEU HB3 H 1.848 0.02 .
373 . 34 LEU CG C 26.760 0.2 .
374 . 34 LEU HG H 1.127 0.02 .
375 . 34 LEU HD1 H 0.158 0.02 .
376 . 34 LEU HD2 H 0.460 0.02 .
377 . 34 LEU CD1 C 23.820 0.2 .
378 . 34 LEU CD2 C 25.527 0.2 .
379 . 34 LEU C C 174.107 0.2 .
380 . 35 ARG N N 127.889 0.2 .
381 . 35 ARG H H 9.112 0.02 .
382 . 35 ARG CA C 54.147 0.2 .
383 . 35 ARG HA H 5.420 0.02 .
384 . 35 ARG CB C 31.802 0.2 .
385 . 35 ARG HB2 H 1.585 0.02 .
386 . 35 ARG HB3 H 1.678 0.02 .
387 . 35 ARG CG C 27.563 0.2 .
388 . 35 ARG HG2 H 1.552 0.02 .
389 . 35 ARG HG3 H 1.571 0.02 .
390 . 35 ARG CD C 42.967 0.2 .
391 . 35 ARG HD2 H 3.014 0.02 .
392 . 35 ARG C C 174.682 0.2 .
393 . 36 ILE N N 126.912 0.2 .
394 . 36 ILE H H 7.949 0.02 .
395 . 36 ILE CA C 59.234 0.2 .
396 . 36 ILE HA H 4.770 0.02 .
397 . 36 ILE CB C 39.067 0.2 .
398 . 36 ILE HB H 1.399 0.02 .
399 . 36 ILE HG2 H 0.620 0.02 .
400 . 36 ILE CG2 C 15.808 0.2 .
401 . 36 ILE CG1 C 27.413 0.2 .
402 . 36 ILE HG12 H 0.920 0.02 .
403 . 36 ILE HG13 H 1.185 0.02 .
404 . 36 ILE HD1 H 0.578 0.02 .
405 . 36 ILE CD1 C 13.649 0.2 .
406 . 36 ILE C C 173.636 0.2 .
407 . 37 ARG N N 127.870 0.2 .
408 . 37 ARG H H 9.077 0.02 .
409 . 37 ARG CA C 54.018 0.2 .
410 . 37 ARG HA H 4.807 0.02 .
411 . 37 ARG CB C 34.712 0.2 .
412 . 37 ARG HB2 H 1.663 0.02 .
413 . 37 ARG CG C 27.755 0.2 .
414 . 37 ARG HG2 H 1.567 0.02 .
415 . 37 ARG CD C 43.048 0.2 .
416 . 37 ARG HD2 H 2.984 0.02 .
417 . 37 ARG HD3 H 3.163 0.02 .
418 . 38 VAL CA C 60.418 0.2 .
419 . 38 VAL HA H 4.556 0.02 .
420 . 38 VAL CB C 32.432 0.2 .
421 . 38 VAL HB H 1.785 0.02 .
422 . 38 VAL HG1 H 0.314 0.02 .
423 . 38 VAL HG2 H 0.821 0.02 .
424 . 38 VAL CG1 C 21.067 0.2 .
425 . 38 VAL CG2 C 21.664 0.2 .
426 . 39 VAL N N 126.212 0.2 .
427 . 39 VAL H H 8.671 0.02 .
428 . 39 VAL CA C 58.4 0.2 .
429 . 39 VAL HA H 4.584 0.02 .
430 . 39 VAL CB C 33.161 0.2 .
431 . 39 VAL HB H 1.939 0.02 .
432 . 39 VAL HG1 H 0.712 0.02 .
433 . 39 VAL HG2 H 0.825 0.02 .
434 . 39 VAL CG1 C 19.631 0.2 .
435 . 39 VAL CG2 C 20.908 0.2 .
436 . 40 PRO CD C 50.729 0.2 .
437 . 40 PRO CA C 62.891 0.2 .
438 . 40 PRO HA H 4.313 0.02 .
439 . 40 PRO CB C 31.817 0.2 .
440 . 40 PRO HB2 H 1.853 0.02 .
441 . 40 PRO HB3 H 2.034 0.02 .
442 . 40 PRO CG C 27.332 0.2 .
443 . 40 PRO HG2 H 1.727 0.02 .
444 . 40 PRO HG3 H 2.021 0.02 .
445 . 40 PRO HD2 H 3.762 0.02 .
446 . 40 PRO HD3 H 3.707 0.02 .
447 . 40 PRO C C 172.741 0.2 .
448 . 41 GLY N N 110.929 0.2 .
449 . 41 GLY H H 7.994 0.02 .
450 . 41 GLY CA C 44.522 0.2 .
451 . 41 GLY HA2 H 3.999 0.02 .
452 . 41 GLY HA3 H 3.897 0.02 .
453 . 41 GLY C C 176.884 0.2 .
454 . 42 GLY N N 109.133 0.2 .
455 . 42 GLY H H 8.163 0.02 .
456 . 42 GLY CA C 44.873 0.2 .
457 . 42 GLY HA2 H 4.039 0.02 .
458 . 42 GLY HA3 H 3.884 0.02 .
459 . 43 CYS CA C 59.803 0.2 .
460 . 43 CYS HA H 4.352 0.02 .
461 . 43 CYS CB C 27.197 0.2 .
462 . 43 CYS HB2 H 2.983 0.02 .
463 . 43 CYS C C 177.543 0.2 .
464 . 44 SER N N 116.434 0.2 .
465 . 44 SER H H 8.395 0.02 .
466 . 44 SER CA C 57.921 0.2 .
467 . 44 SER HA H 4.544 0.02 .
468 . 44 SER CB C 63.424 0.2 .
469 . 44 SER HB2 H 3.915 0.02 .
470 . 44 SER HB3 H 3.941 0.02 .
471 . 44 SER C C 176.271 0.2 .
472 . 45 GLY N N 110.583 0.2 .
473 . 45 GLY H H 7.701 0.02 .
474 . 45 GLY CA C 44.904 0.2 .
475 . 45 GLY HA2 H 4.185 0.02 .
476 . 45 GLY HA3 H 3.536 0.02 .
477 . 45 GLY C C 177.408 0.2 .
478 . 46 PHE N N 118.005 0.2 .
479 . 46 PHE H H 7.605 0.02 .
480 . 46 PHE CA C 56.796 0.2 .
481 . 46 PHE HA H 4.744 0.02 .
482 . 46 PHE CB C 40.823 0.2 .
483 . 46 PHE HB2 H 2.566 0.02 .
484 . 46 PHE HB3 H 2.469 0.02 .
485 . 46 PHE HD1 H 6.779 0.02 .
486 . 46 PHE HE1 H 7.055 0.02 .
487 . 46 PHE CD1 C 131.022 0.2 .
488 . 46 PHE CE1 C 130.858 0.2 .
489 . 46 PHE HZ H 6.995 0.02 .
490 . 46 PHE C C 175.342 0.2 .
491 . 47 GLN N N 119.791 0.2 .
492 . 47 GLN H H 8.486 0.02 .
493 . 47 GLN CA C 53.233 0.2 .
494 . 47 GLN HA H 4.410 0.02 .
495 . 47 GLN CB C 31.389 0.2 .
496 . 47 GLN HB2 H 1.798 0.02 .
497 . 47 GLN HB3 H 2.146 0.02 .
498 . 47 GLN CG C 34.000 0.2 .
499 . 47 GLN HG2 H 1.967 0.02 .
500 . 48 TYR H H 8.616 0.02 .
501 . 48 TYR CA C 56.274 0.2 .
502 . 48 TYR HA H 5.222 0.02 .
503 . 48 TYR CB C 40.986 0.2 .
504 . 48 TYR HB2 H 2.528 0.02 .
505 . 48 TYR HB3 H 2.582 0.02 .
506 . 48 TYR HD1 H 6.807 0.02 .
507 . 48 TYR HE1 H 6.523 0.02 .
508 . 48 TYR CD1 C 132.810 0.2 .
509 . 48 TYR CE1 C 117.341 0.2 .
510 . 48 TYR C C 172.561 0.2 .
511 . 49 ALA N N 126.146 0.2 .
512 . 49 ALA H H 9.110 0.02 .
513 . 49 ALA CA C 50.997 0.2 .
514 . 49 ALA HA H 4.871 0.02 .
515 . 49 ALA HB H 1.260 0.02 .
516 . 49 ALA CB C 21.594 0.2 .
517 . 49 ALA C C 174.470 0.2 .
518 . 50 MET N N 121.324 0.2 .
519 . 50 MET H H 8.733 0.02 .
520 . 50 MET CA C 53.098 0.2 .
521 . 50 MET HA H 5.611 0.02 .
522 . 50 MET CB C 37.415 0.2 .
523 . 50 MET HB2 H 1.693 0.02 .
524 . 50 MET HB3 H 1.784 0.02 .
525 . 50 MET CG C 31.218 0.2 .
526 . 50 MET HG2 H 2.068 0.02 .
527 . 50 MET HG3 H 2.093 0.02 .
528 . 50 MET C C 174.517 0.2 .
529 . 51 GLY N N 109.833 0.2 .
530 . 51 GLY H H 8.155 0.02 .
531 . 51 GLY CA C 45.002 0.2 .
532 . 51 GLY HA2 H 3.980 0.02 .
533 . 51 GLY HA3 H 4.033 0.02 .
534 . 51 GLY C C 172.423 0.2 .
535 . 52 PHE N N 121.852 0.2 .
536 . 52 PHE H H 8.604 0.02 .
537 . 52 PHE CA C 58.862 0.2 .
538 . 52 PHE HA H 5.372 0.02 .
539 . 52 PHE CB C 38.819 0.2 .
540 . 52 PHE HB2 H 2.751 0.02 .
541 . 52 PHE HB3 H 3.360 0.02 .
542 . 52 PHE HD1 H 7.240 0.02 .
543 . 52 PHE HE1 H 6.974 0.02 .
544 . 52 PHE HE2 H 6.979 0.02 .
545 . 52 PHE CD1 C 131.786 0.2 .
546 . 52 PHE CE1 C 130.169 0.2 .
547 . 52 PHE C C 172.364 0.2 .
548 . 53 ASP N N 124.109 0.2 .
549 . 53 ASP H H 8.905 0.02 .
550 . 53 ASP CA C 52.301 0.2 .
551 . 53 ASP HA H 5.059 0.02 .
552 . 53 ASP CB C 44.934 0.2 .
553 . 53 ASP HB2 H 2.482 0.02 .
554 . 53 ASP HB3 H 2.626 0.02 .
555 . 53 ASP C C 174.301 0.2 .
556 . 54 ASP N N 120.911 0.2 .
557 . 54 ASP H H 8.972 0.02 .
558 . 54 ASP CA C 53.477 0.2 .
559 . 54 ASP HA H 4.814 0.02 .
560 . 54 ASP CB C 41.632 0.2 .
561 . 54 ASP HB2 H 2.683 0.02 .
562 . 54 ASP HB3 H 2.855 0.02 .
563 . 54 ASP C C 172.948 0.2 .
564 . 55 THR N N 115.340 0.2 .
565 . 55 THR H H 7.745 0.02 .
566 . 55 THR CA C 61.583 0.2 .
567 . 55 THR HA H 4.328 0.02 .
568 . 55 THR CB C 70.860 0.2 .
569 . 55 THR HB H 3.959 0.02 .
570 . 55 THR HG2 H 1.000 0.02 .
571 . 55 THR CG2 C 20.861 0.2 .
572 . 55 THR C C 172.341 0.2 .
573 . 56 VAL N N 124.139 0.2 .
574 . 56 VAL H H 8.034 0.02 .
575 . 56 VAL CA C 61.571 0.2 .
576 . 56 VAL HA H 3.966 0.02 .
577 . 56 VAL CB C 32.472 0.2 .
578 . 56 VAL HB H 1.850 0.02 .
579 . 56 VAL HG1 H 0.831 0.02 .
580 . 56 VAL HG2 H 0.850 0.02 .
581 . 56 VAL CG1 C 20.664 0.2 .
582 . 56 VAL CG2 C 21.560 0.2 .
583 . 56 VAL C C 173.770 0.2 .
584 . 57 GLU N N 129.904 0.2 .
585 . 57 GLU H H 9.433 0.02 .
586 . 57 GLU CA C 54.388 0.2 .
587 . 57 GLU HA H 4.444 0.02 .
588 . 57 GLU CB C 31.084 0.2 .
589 . 57 GLU HB2 H 1.997 0.02 .
590 . 57 GLU HB3 H 1.829 0.02 .
591 . 57 GLU CG C 35.940 0.2 .
592 . 57 GLU HG2 H 2.067 0.02 .
593 . 57 GLU HG3 H 2.264 0.02 .
594 . 57 GLU C C 173.462 0.2 .
595 . 58 GLU N N 123.895 0.2 .
596 . 58 GLU H H 8.825 0.02 .
597 . 58 GLU CA C 58.398 0.2 .
598 . 58 GLU HA H 3.931 0.02 .
599 . 58 GLU CB C 28.951 0.2 .
600 . 58 GLU HB2 H 1.911 0.02 .
601 . 58 GLU HB3 H 1.972 0.02 .
602 . 58 GLU CG C 35.726 0.2 .
603 . 58 GLU HG2 H 2.231 0.02 .
604 . 58 GLU C C 173.518 0.2 .
605 . 59 GLY N N 114.102 0.2 .
606 . 59 GLY H H 8.577 0.02 .
607 . 59 GLY CA C 44.419 0.2 .
608 . 59 GLY HA2 H 3.966 0.02 .
609 . 59 GLY HA3 H 3.604 0.02 .
610 . 59 GLY C C 172.684 0.2 .
611 . 60 ASP N N 118.871 0.2 .
612 . 60 ASP H H 7.604 0.02 .
613 . 60 ASP CA C 55.616 0.2 .
614 . 60 ASP HA H 4.434 0.02 .
615 . 60 ASP CB C 41.105 0.2 .
616 . 60 ASP HB2 H 2.147 0.02 .
617 . 60 ASP HB3 H 2.648 0.02 .
618 . 60 ASP C C 171.978 0.2 .
619 . 61 HIS N N 122.568 0.2 .
620 . 61 HIS H H 8.838 0.02 .
621 . 61 HIS CA C 55.198 0.2 .
622 . 61 HIS HA H 4.232 0.02 .
623 . 61 HIS CB C 29.965 0.2 .
624 . 61 HIS HB2 H 3.287 0.02 .
625 . 61 HIS HB3 H 2.736 0.02 .
626 . 61 HIS CD2 C 119.483 0.2 .
627 . 61 HIS CE1 C 137.057 0.2 .
628 . 61 HIS HD2 H 7.260 0.02 .
629 . 61 HIS HE1 H 8.120 0.02 .
630 . 61 HIS C C 172.893 0.2 .
631 . 62 VAL N N 122.816 0.2 .
632 . 62 VAL H H 8.052 0.02 .
633 . 62 VAL CA C 60.878 0.2 .
634 . 62 VAL HA H 4.759 0.02 .
635 . 62 VAL CB C 32.507 0.2 .
636 . 62 VAL HB H 1.751 0.02 .
637 . 62 VAL HG1 H 0.775 0.02 .
638 . 62 VAL HG2 H 0.790 0.02 .
639 . 62 VAL CG1 C 21.261 0.2 .
640 . 62 VAL CG2 C 21.147 0.2 .
641 . 62 VAL C C 173.063 0.2 .
642 . 63 PHE N N 129.208 0.2 .
643 . 63 PHE H H 9.684 0.02 .
644 . 63 PHE CA C 56.312 0.2 .
645 . 63 PHE HA H 4.685 0.02 .
646 . 63 PHE CB C 41.657 0.2 .
647 . 63 PHE HB2 H 3.033 0.02 .
648 . 63 PHE HB3 H 3.320 0.02 .
649 . 63 PHE HD1 H 7.295 0.02 .
650 . 63 PHE HE1 H 6.863 0.02 .
651 . 63 PHE CD1 C 132.426 0.2 .
652 . 63 PHE C C 177.880 0.2 .
653 . 64 GLU N N 123.668 0.2 .
654 . 64 GLU H H 8.582 0.02 .
655 . 64 GLU CA C 55.863 0.2 .
656 . 64 GLU HA H 4.841 0.02 .
657 . 64 GLU CB C 31.403 0.2 .
658 . 64 GLU HB2 H 1.810 0.02 .
659 . 64 GLU HB3 H 1.975 0.02 .
660 . 64 GLU CG C 36.298 0.2 .
661 . 64 GLU HG2 H 2.040 0.02 .
662 . 64 GLU HG3 H 2.161 0.02 .
663 . 64 GLU C C 173.705 0.2 .
664 . 65 TYR N N 125.016 0.2 .
665 . 65 TYR H H 8.725 0.02 .
666 . 65 TYR CA C 56.985 0.2 .
667 . 65 TYR HA H 4.670 0.02 .
668 . 65 TYR CB C 40.558 0.2 .
669 . 65 TYR HB2 H 2.653 0.02 .
670 . 65 TYR HB3 H 3.210 0.02 .
671 . 65 TYR HD1 H 7.082 0.02 .
672 . 65 TYR HE1 H 6.829 0.02 .
673 . 65 TYR CD1 C 132.761 0.2 .
674 . 65 TYR CE1 C 118.091 0.2 .
675 . 65 TYR C C 173.067 0.2 .
676 . 66 ASP N N 122.414 0.2 .
677 . 66 ASP H H 8.745 0.02 .
678 . 66 ASP CA C 54.648 0.2 .
679 . 66 ASP HA H 4.420 0.02 .
680 . 66 ASP CB C 40.197 0.2 .
681 . 66 ASP HB2 H 2.539 0.02 .
682 . 66 ASP HB3 H 2.958 0.02 .
683 . 66 ASP C C 171.707 0.2 .
684 . 67 GLY N N 110.919 0.2 .
685 . 67 GLY H H 8.483 0.02 .
686 . 67 GLY CA C 45.273 0.2 .
687 . 67 GLY HA2 H 3.706 0.02 .
688 . 67 GLY HA3 H 4.202 0.02 .
689 . 67 GLY C C 176.061 0.2 .
690 . 68 VAL N N 118.197 0.2 .
691 . 68 VAL H H 7.712 0.02 .
692 . 68 VAL CA C 60.965 0.2 .
693 . 68 VAL HA H 4.374 0.02 .
694 . 68 VAL CB C 34.355 0.2 .
695 . 68 VAL HB H 2.220 0.02 .
696 . 68 VAL HG1 H 0.880 0.02 .
697 . 68 VAL HG2 H 0.974 0.02 .
698 . 68 VAL CG1 C 20.971 0.2 .
699 . 68 VAL CG2 C 22.231 0.2 .
700 . 68 VAL C C 175.455 0.2 .
701 . 69 LYS N N 125.333 0.2 .
702 . 69 LYS H H 7.804 0.02 .
703 . 69 LYS CA C 55.000 0.2 .
704 . 69 LYS HA H 5.183 0.02 .
705 . 69 LYS CB C 35.148 0.2 .
706 . 69 LYS HB2 H 1.625 0.02 .
707 . 69 LYS HB3 H 1.779 0.02 .
708 . 69 LYS CG C 25.354 0.2 .
709 . 69 LYS HG2 H 1.256 0.02 .
710 . 69 LYS HG3 H 1.530 0.02 .
711 . 69 LYS CD C 29.340 0.2 .
712 . 69 LYS HD2 H 1.621 0.02 .
713 . 69 LYS CE C 41.913 0.2 .
714 . 69 LYS HE2 H 2.858 0.02 .
715 . 69 LYS C C 173.753 0.2 .
716 . 70 VAL N N 126.001 0.2 .
717 . 70 VAL H H 9.366 0.02 .
718 . 70 VAL CA C 60.150 0.2 .
719 . 70 VAL HA H 5.351 0.02 .
720 . 70 VAL CB C 34.019 0.2 .
721 . 70 VAL HB H 2.322 0.02 .
722 . 70 VAL HG1 H 0.808 0.02 .
723 . 70 VAL HG2 H 1.040 0.02 .
724 . 70 VAL CG1 C 20.918 0.2 .
725 . 70 VAL CG2 C 21.687 0.2 .
726 . 70 VAL C C 173.698 0.2 .
727 . 71 VAL N N 123.789 0.2 .
728 . 71 VAL H H 9.165 0.02 .
729 . 71 VAL CA C 58.391 0.2 .
730 . 71 VAL HA H 5.542 0.02 .
731 . 71 VAL CB C 34.685 0.2 .
732 . 71 VAL HB H 1.759 0.02 .
733 . 71 VAL HG1 H 0.808 0.02 .
734 . 71 VAL HG2 H 0.858 0.02 .
735 . 71 VAL CG1 C 20.000 0.2 .
736 . 71 VAL CG2 C 22.141 0.2 .
737 . 72 ILE N N 123.090 0.2 .
738 . 72 ILE H H 8.729 0.02 .
739 . 72 ILE CA C 60.355 0.2 .
740 . 72 ILE HA H 4.584 0.02 .
741 . 72 ILE CB C 41.378 0.2 .
742 . 72 ILE HB H 1.825 0.02 .
743 . 72 ILE HG2 H 0.862 0.02 .
744 . 72 ILE CG2 C 17.280 0.2 .
745 . 72 ILE CG1 C 27.427 0.2 .
746 . 72 ILE HG12 H 0.751 0.02 .
747 . 72 ILE HG13 H 1.368 0.02 .
748 . 72 ILE HD1 H -0.129 0.02 .
749 . 72 ILE CD1 C 12.492 0.2 .
750 . 73 ASP CA C 55.000 0.2 .
751 . 73 ASP HA H 4.500 0.02 .
752 . 73 ASP HB2 H 1.900 0.02 .
753 . 73 ASP HB3 H 2.100 0.02 .
754 . 74 PRO CD C 50.16 0.2 .
755 . 74 PRO CA C 65.926 0.2 .
756 . 74 PRO HA H 4.334 0.02 .
757 . 74 PRO CB C 31.878 0.2 .
758 . 74 PRO HB2 H 1.839 0.02 .
759 . 74 PRO HB3 H 2.342 0.02 .
760 . 74 PRO CG C 27.478 0.2 .
761 . 74 PRO HG2 H 1.978 0.02 .
762 . 74 PRO HG3 H 2.014 0.02 .
763 . 74 PRO HD2 H 3.639 0.02 .
764 . 74 PRO HD3 H 3.915 0.02 .
765 . 74 PRO C C 177.846 0.2 .
766 . 75 PHE N N 120.184 0.2 .
767 . 75 PHE H H 8.405 0.02 .
768 . 75 PHE CA C 59.837 0.2 .
769 . 75 PHE HA H 4.434 0.02 .
770 . 75 PHE CB C 37.993 0.2 .
771 . 75 PHE HB2 H 3.236 0.02 .
772 . 75 PHE HB3 H 3.354 0.02 .
773 . 75 PHE HD1 H 7.337 0.02 .
774 . 75 PHE HE1 H 7.233 0.02 .
775 . 75 PHE CD1 C 131.515 0.2 .
776 . 75 PHE CE1 C 131.191 0.2 .
777 . 75 PHE CZ C 129.572 0.2 .
778 . 75 PHE HZ H 7.250 0.02 .
779 . 75 PHE C C 172.019 0.2 .
780 . 76 SER N N 118.290 0.2 .
781 . 76 SER H H 8.373 0.02 .
782 . 76 SER CA C 61.892 0.2 .
783 . 76 SER HA H 4.171 0.02 .
784 . 76 SER CB C 62.923 0.2 .
785 . 76 SER HB2 H 3.552 0.02 .
786 . 76 SER HB3 H 4.031 0.02 .
787 . 76 SER C C 175.842 0.2 .
788 . 77 MET N N 118.747 0.2 .
789 . 77 MET H H 7.699 0.02 .
790 . 77 MET CA C 58.342 0.2 .
791 . 77 MET HA H 4.174 0.02 .
792 . 77 MET CB C 33.054 0.2 .
793 . 77 MET HB2 H 2.226 0.02 .
794 . 77 MET CG C 34.000 0.2 .
795 . 77 MET HG2 H 1.480 0.02 .
796 . 77 MET HG3 H 1.792 0.02 .
797 . 77 MET HE H 2.052 0.02 .
798 . 77 MET CE C 40.771 0.2 .
799 . 78 PRO CD C 50.089 0.2 .
800 . 78 PRO CA C 65.711 0.2 .
801 . 78 PRO HA H 4.190 0.02 .
802 . 78 PRO CB C 30.697 0.2 .
803 . 78 PRO HB2 H 1.341 0.02 .
804 . 78 PRO HB3 H 2.209 0.02 .
805 . 78 PRO CG C 28.344 0.2 .
806 . 78 PRO HG2 H 1.808 0.02 .
807 . 78 PRO HD2 H 3.367 0.02 .
808 . 78 PRO HD3 H 3.483 0.02 .
809 . 78 PRO C C 175.741 0.2 .
810 . 79 TYR N N 112.178 0.2 .
811 . 79 TYR H H 7.164 0.02 .
812 . 79 TYR CA C 59.628 0.2 .
813 . 79 TYR HA H 4.206 0.02 .
814 . 79 TYR CB C 38.742 0.2 .
815 . 79 TYR HB2 H 2.709 0.02 .
816 . 79 TYR HB3 H 2.914 0.02 .
817 . 79 TYR HD1 H 6.944 0.02 .
818 . 79 TYR HE1 H 6.517 0.02 .
819 . 79 TYR CD1 C 132.407 0.2 .
820 . 79 TYR CE1 C 118.198 0.2 .
821 . 79 TYR C C 173.745 0.2 .
822 . 80 VAL N N 107.728 0.2 .
823 . 80 VAL H H 7.520 0.02 .
824 . 80 VAL CA C 59.204 0.2 .
825 . 80 VAL HA H 4.494 0.02 .
826 . 80 VAL CB C 31.853 0.2 .
827 . 80 VAL HB H 2.711 0.02 .
828 . 80 VAL HG1 H 0.761 0.02 .
829 . 80 VAL HG2 H 0.801 0.02 .
830 . 80 VAL CG1 C 19.363 0.2 .
831 . 80 VAL CG2 C 22.696 0.2 .
832 . 80 VAL C C 174.174 0.2 .
833 . 81 ASN N N 120.273 0.2 .
834 . 81 ASN H H 7.083 0.02 .
835 . 81 ASN CA C 55.657 0.2 .
836 . 81 ASN HA H 4.779 0.02 .
837 . 81 ASN CB C 38.229 0.2 .
838 . 81 ASN HB2 H 2.777 0.02 .
839 . 81 ASN HB3 H 3.082 0.02 .
840 . 81 ASN C C 172.777 0.2 .
841 . 82 GLY N N 118.356 0.2 .
842 . 82 GLY H H 9.781 0.02 .
843 . 82 GLY CA C 44.634 0.2 .
844 . 82 GLY HA2 H 3.268 0.02 .
845 . 82 GLY HA3 H 4.227 0.02 .
846 . 82 GLY C C 172.748 0.2 .
847 . 83 ALA N N 122.440 0.2 .
848 . 83 ALA H H 8.227 0.02 .
849 . 83 ALA CA C 51.144 0.2 .
850 . 83 ALA HA H 4.550 0.02 .
851 . 83 ALA HB H 1.380 0.02 .
852 . 83 ALA CB C 20.283 0.2 .
853 . 83 ALA C C 173.181 0.2 .
854 . 84 GLU N N 115.937 0.2 .
855 . 84 GLU H H 7.922 0.02 .
856 . 84 GLU CA C 52.893 0.2 .
857 . 84 GLU HA H 4.729 0.02 .
858 . 84 GLU CB C 34.728 0.2 .
859 . 84 GLU HB2 H 1.807 0.02 .
860 . 84 GLU CG C 37.549 0.2 .
861 . 84 GLU HG2 H 1.553 0.02 .
862 . 84 GLU HG3 H 1.614 0.02 .
863 . 84 GLU C C 174.284 0.2 .
864 . 85 LEU N N 130.245 0.2 .
865 . 85 LEU H H 8.696 0.02 .
866 . 85 LEU CA C 53.596 0.2 .
867 . 85 LEU HA H 5.064 0.02 .
868 . 85 LEU CB C 44.470 0.2 .
869 . 85 LEU HB2 H 1.304 0.02 .
870 . 85 LEU HB3 H 1.984 0.02 .
871 . 85 LEU CG C 27.322 0.2 .
872 . 85 LEU HG H 1.548 0.02 .
873 . 85 LEU HD1 H 0.766 0.02 .
874 . 85 LEU HD2 H 1.055 0.02 .
875 . 85 LEU CD1 C 26.016 0.2 .
876 . 85 LEU CD2 C 24.488 0.2 .
877 . 85 LEU C C 172.676 0.2 .
878 . 86 ASP N N 127.202 0.2 .
879 . 86 ASP H H 9.237 0.02 .
880 . 86 ASP CA C 50.509 0.2 .
881 . 86 ASP HA H 5.480 0.02 .
882 . 86 ASP CB C 45.506 0.2 .
883 . 86 ASP HB2 H 2.518 0.02 .
884 . 86 ASP HB3 H 2.440 0.02 .
885 . 86 ASP C C 175.488 0.2 .
886 . 87 TYR N N 123.817 0.2 .
887 . 87 TYR H H 8.706 0.02 .
888 . 87 TYR CA C 57.295 0.2 .
889 . 87 TYR HA H 4.563 0.02 .
890 . 87 TYR CB C 41.435 0.2 .
891 . 87 TYR HB2 H 2.091 0.02 .
892 . 87 TYR HB3 H 2.260 0.02 .
893 . 87 TYR HD1 H 5.595 0.02 .
894 . 87 TYR HE1 H 6.220 0.02 .
895 . 87 TYR CD1 C 131.868 0.2 .
896 . 87 TYR CE1 C 117.267 0.2 .
897 . 87 TYR C C 176.299 0.2 .
898 . 88 VAL N N 126.007 0.2 .
899 . 88 VAL H H 7.965 0.02 .
900 . 88 VAL CA C 60.043 0.2 .
901 . 88 VAL HA H 4.058 0.02 .
902 . 88 VAL CB C 34.355 0.2 .
903 . 88 VAL HB H 1.715 0.02 .
904 . 88 VAL HG1 H 0.711 0.02 .
905 . 88 VAL HG2 H 0.657 0.02 .
906 . 88 VAL CG1 C 20.988 0.2 .
907 . 88 VAL CG2 C 20.223 0.2 .
908 . 88 VAL C C 172.440 0.2 .
909 . 89 VAL N N 124.789 0.2 .
910 . 89 VAL H H 8.258 0.02 .
911 . 89 VAL CA C 61.946 0.2 .
912 . 89 VAL HA H 4.046 0.02 .
913 . 89 VAL CB C 32.409 0.2 .
914 . 89 VAL HB H 1.905 0.02 .
915 . 89 VAL HG1 H 0.888 0.02 .
916 . 89 VAL HG2 H 0.832 0.02 .
917 . 89 VAL CG1 C 20.871 0.2 .
918 . 89 VAL CG2 C 20.820 0.2 .
919 . 89 VAL C C 176.347 0.2 .
920 . 90 ASP N N 125.340 0.2 .
921 . 90 ASP H H 8.027 0.02 .
922 . 90 ASP CA C 52.526 0.2 .
923 . 90 ASP HA H 4.631 0.02 .
924 . 90 ASP CB C 41.947 0.2 .
925 . 90 ASP HB2 H 2.566 0.02 .
926 . 90 ASP HB3 H 2.828 0.02 .
927 . 90 ASP C C 172.937 0.2 .
928 . 91 PHE N N 119.356 0.2 .
929 . 91 PHE H H 8.205 0.02 .
930 . 91 PHE CA C 59.045 0.2 .
931 . 91 PHE HA H 4.412 0.02 .
932 . 91 PHE CB C 38.305 0.2 .
933 . 91 PHE HB2 H 3.084 0.02 .
934 . 91 PHE HD1 H 7.201 0.02 .
935 . 91 PHE HE1 H 7.284 0.02 .
936 . 91 PHE CD1 C 131.451 0.2 .
937 . 91 PHE CE1 C 129.572 0.2 .
938 . 91 PHE CZ C 131.191 0.2 .
939 . 91 PHE HZ H 7.339 0.02 .
940 . 91 PHE C C 177.984 0.2 .
941 . 92 MET N N 119.745 0.2 .
942 . 92 MET H H 8.301 0.02 .
943 . 92 MET CA C 54.766 0.2 .
944 . 92 MET HA H 4.329 0.02 .
945 . 92 MET CB C 31.504 0.2 .
946 . 92 MET HB2 H 1.856 0.02 .
947 . 92 MET HB3 H 2.010 0.02 .
948 . 92 MET CG C 31.745 0.2 .
949 . 92 MET HG2 H 2.158 0.02 .
950 . 92 MET C C 175.800 0.2 .
951 . 93 GLY N N 110.241 0.2 .
952 . 93 GLY H H 8.029 0.02 .
953 . 93 GLY CA C 44.931 0.2 .
954 . 93 GLY HA2 H 4.306 0.02 .
955 . 93 GLY HA3 H 3.725 0.02 .
956 . 93 GLY C C 172.763 0.2 .
957 . 94 GLY N N 110.981 0.2 .
958 . 94 GLY H H 8.233 0.02 .
959 . 94 GLY CA C 44.536 0.2 .
960 . 94 GLY HA2 H 4.222 0.02 .
961 . 94 GLY HA3 H 3.896 0.02 .
962 . 94 GLY C C 174.082 0.2 .
963 . 95 GLY N N 108.699 0.2 .
964 . 95 GLY H H 7.517 0.02 .
965 . 95 GLY CA C 44.826 0.2 .
966 . 95 GLY HA2 H 3.919 0.02 .
967 . 95 GLY HA3 H 3.691 0.02 .
968 . 96 PHE N N 119.998 0.2 .
969 . 96 PHE H H 8.723 0.02 .
970 . 96 PHE CA C 58.476 0.2 .
971 . 96 PHE HA H 5.220 0.02 .
972 . 96 PHE CB C 40.496 0.2 .
973 . 96 PHE HB2 H 2.948 0.02 .
974 . 96 PHE HD1 H 7.389 0.02 .
975 . 96 PHE HE1 H 7.320 0.02 .
976 . 96 PHE CD1 C 132.163 0.2 .
977 . 96 PHE CE1 C 131.515 0.2 .
978 . 96 PHE CZ C 132.487 0.2 .
979 . 96 PHE HZ H 7.450 0.02 .
980 . 96 PHE C C 173.560 0.2 .
981 . 97 THR N N 116.142 0.2 .
982 . 97 THR H H 8.807 0.02 .
983 . 97 THR CA C 59.550 0.2 .
984 . 97 THR HA H 4.958 0.02 .
985 . 97 THR CB C 70.625 0.2 .
986 . 97 THR HB H 3.829 0.02 .
987 . 97 THR HG2 H 0.867 0.02 .
988 . 97 THR CG2 C 20.119 0.2 .
989 . 98 ILE H H 8.520 0.02 .
990 . 98 ILE CA C 58.976 0.2 .
991 . 98 ILE HA H 5.075 0.02 .
992 . 98 ILE CB C 40.103 0.2 .
993 . 98 ILE HB H 1.300 0.02 .
994 . 98 ILE HG2 H 0.400 0.02 .
995 . 98 ILE CG2 C 16.915 0.2 .
996 . 98 ILE CG1 C 29.164 0.2 .
997 . 98 ILE HG12 H 0.717 0.02 .
998 . 98 ILE HG13 H 1.321 0.02 .
999 . 98 ILE HD1 H 0.425 0.02 .
1000 . 98 ILE CD1 C 12.382 0.2 .
1001 . 99 ARG N N 129.536 0.2 .
1002 . 99 ARG H H 8.947 0.02 .
1003 . 99 ARG CA C 55.015 0.2 .
1004 . 99 ARG HA H 4.697 0.02 .
1005 . 99 ARG CB C 31.191 0.2 .
1006 . 99 ARG HB2 H 1.705 0.02 .
1007 . 99 ARG HB3 H 1.808 0.02 .
1008 . 99 ARG CG C 27.720 0.2 .
1009 . 99 ARG HG2 H 1.456 0.02 .
1010 . 99 ARG HG3 H 1.480 0.02 .
1011 . 99 ARG CD C 43.032 0.2 .
1012 . 99 ARG HD2 H 3.117 0.02 .
1013 . 99 ARG HD3 H 3.143 0.02 .
1014 . 100 ASN CA C 49.020 0.2 .
1015 . 100 ASN HA H 5.156 0.02 .
1016 . 100 ASN CB C 40.330 0.2 .
1017 . 100 ASN HB2 H 2.464 0.02 .
1018 . 100 ASN HB3 H 3.336 0.02 .
1019 . 101 PRO CD C 50.621 0.2 .
1020 . 101 PRO CA C 63.557 0.2 .
1021 . 101 PRO HA H 4.455 0.02 .
1022 . 101 PRO CB C 31.566 0.2 .
1023 . 101 PRO HB2 H 2.015 0.02 .
1024 . 101 PRO HB3 H 2.272 0.02 .
1025 . 101 PRO CG C 26.250 0.2 .
1026 . 101 PRO HG2 H 1.929 0.02 .
1027 . 101 PRO HD2 H 3.651 0.02 .
1028 . 101 PRO HD3 H 3.769 0.02 .
1029 . 101 PRO C C 174.697 0.2 .
1030 . 102 ASN N N 115.375 0.2 .
1031 . 102 ASN H H 7.941 0.02 .
1032 . 102 ASN CA C 53.001 0.2 .
1033 . 102 ASN HA H 4.641 0.02 .
1034 . 102 ASN CB C 38.774 0.2 .
1035 . 102 ASN HB2 H 2.772 0.02 .
1036 . 102 ASN HB3 H 2.916 0.02 .
1037 . 102 ASN C C 174.772 0.2 .
1038 . 103 ALA N N 122.618 0.2 .
1039 . 103 ALA H H 7.764 0.02 .
1040 . 103 ALA CA C 51.956 0.2 .
1041 . 103 ALA HA H 4.501 0.02 .
1042 . 103 ALA HB H 1.490 0.02 .
1043 . 103 ALA CB C 19.515 0.2 .
1044 . 103 ALA C C 174.202 0.2 .
1045 . 104 THR N N 114.786 0.2 .
1046 . 104 THR H H 8.206 0.02 .
1047 . 104 THR CA C 61.754 0.2 .
1048 . 104 THR HA H 4.368 0.02 .
1049 . 104 THR CB C 69.740 0.2 .
1050 . 104 THR HB H 4.273 0.02 .
1051 . 104 THR HG2 H 1.212 0.02 .
1052 . 104 THR CG2 C 21.418 0.2 .
1053 . 104 THR C C 174.975 0.2 .
1054 . 105 GLY N N 111.284 0.2 .
1055 . 105 GLY H H 8.431 0.02 .
1056 . 105 GLY CA C 45.105 0.2 .
1057 . 105 GLY HA3 H 4.036 0.02 .
1058 . 105 GLY C C 173.476 0.2 .
1059 . 106 SER N N 116.860 0.2 .
1060 . 106 SER H H 8.404 0.02 .
1061 . 106 SER CA C 58.325 0.2 .
1062 . 106 SER HA H 4.521 0.02 .
1063 . 106 SER CB C 63.466 0.2 .
1064 . 106 SER HB2 H 3.906 0.02 .
1065 . 106 SER HB3 H 3.940 0.02 .
1066 . 106 SER C C 172.524 0.2 .
1067 . 107 CYS N N 120.878 0.2 .
1068 . 107 CYS H H 8.446 0.02 .
1069 . 107 CYS CA C 58.426 0.2 .
1070 . 107 CYS HA H 4.566 0.02 .
1071 . 107 CYS CB C 27.992 0.2 .
1072 . 107 CYS HB2 H 2.946 0.02 .
1073 . 107 CYS C C 176.581 0.2 .
1074 . 108 GLY N N 112.769 0.2 .
1075 . 108 GLY H H 8.443 0.02 .
1076 . 108 GLY CA C 45.426 0.2 .
1077 . 108 GLY HA3 H 4.033 0.02 .
1078 . 108 GLY C C 177.794 0.2 .
1079 . 109 CYS N N 119.701 0.2 .
1080 . 109 CYS H H 8.287 0.02 .
1081 . 109 CYS CA C 58.396 0.2 .
1082 . 109 CYS HA H 4.588 0.02 .
1083 . 109 CYS CB C 27.956 0.2 .
1084 . 109 CYS HB2 H 2.945 0.02 .
1085 . 109 CYS C C 175.722 0.2 .
1086 . 110 GLY N N 113.280 0.2 .
1087 . 110 GLY H H 8.546 0.02 .
1088 . 110 GLY CA C 44.600 0.2 .
1089 . 110 GLY HA3 H 4.039 0.02 .
1090 . 110 GLY C C 172.002 0.2 .
1091 . 111 SER N N 115.266 0.2 .
1092 . 111 SER H H 8.219 0.02 .
1093 . 111 SER CA C 57.837 0.2 .
1094 . 111 SER HA H 4.651 0.02 .
1095 . 111 SER CB C 64.231 0.2 .
1096 . 111 SER HB2 H 3.879 0.02 .
1097 . 111 SER C C 177.139 0.2 .
1098 . 112 SER N N 118.162 0.2 .
1099 . 112 SER H H 8.298 0.02 .
1100 . 112 SER CA C 58.273 0.2 .
1101 . 112 SER HA H 4.707 0.02 .
1102 . 112 SER CB C 63.964 0.2 .
1103 . 112 SER HB2 H 3.898 0.02 .
1104 . 112 SER C C 176.482 0.2 .
1105 . 113 PHE N N 121.321 0.2 .
1106 . 113 PHE H H 8.408 0.02 .
1107 . 113 PHE CA C 56.998 0.2 .
1108 . 113 PHE HA H 4.929 0.02 .
1109 . 113 PHE CB C 40.294 0.2 .
1110 . 113 PHE HB2 H 2.974 0.02 .
1111 . 113 PHE HD1 H 7.137 0.02 .
1112 . 113 PHE HE1 H 7.337 0.02 .
1113 . 113 PHE C C 173.871 0.2 .
1114 . 114 SER N N 119.421 0.2 .
1115 . 114 SER H H 8.678 0.02 .
1116 . 114 SER CA C 58.238 0.2 .
1117 . 114 SER HA H 4.681 0.02 .
1118 . 114 SER CB C 63.573 0.2 .
1119 . 114 SER HB2 H 3.918 0.02 .
1120 . 115 CYS CA C 57.535 0.2 .
1121 . 115 CYS HA H 4.745 0.02 .
1122 . 115 CYS CB C 28.748 0.2 .
1123 . 115 CYS HB2 H 2.784 0.02 .
1124 . 115 CYS HB3 H 2.984 0.02 .
1125 . 115 CYS C C 173.585 0.2 .
1126 . 116 GLY N N 113.043 0.2 .
1127 . 116 GLY H H 8.619 0.02 .
1128 . 116 GLY CA C 44.746 0.2 .
1129 . 116 GLY HA2 H 4.385 0.02 .
1130 . 116 GLY HA3 H 3.944 0.02 .
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