data_15106
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of the second Clip domain in PAP2 (CASP Target)
;
_BMRB_accession_number 15106
_BMRB_flat_file_name bmr15106.str
_Entry_type original
_Submission_date 2007-01-22
_Accession_date 2007-01-22
_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 Huang R. D. .
2 Lv Z. Q. .
3 Dai H. E. .
4 Velde D. V. .
5 Prakash O. . .
6 Jiang H. B. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 241
"13C chemical shifts" 198
"15N chemical shifts" 51
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-06-25 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
15105 'Clip, first domain'
stop_
_Original_release_date 2008-06-25
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The solution structure of clip domains from Manduca sexta prophenoloxidase activating proteinase-2'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17880110
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Huang R. D. .
2 Lu Z. Q. .
3 Dai H. E. .
4 Velde D. V. .
5 Prakash O. . .
6 Jiang H. B. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 46
_Journal_issue 41
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 11431
_Page_last 11439
_Year 2007
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'clip monomer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'clip domain' $Prophenoloxidase_activating_proteinase-2
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Prophenoloxidase_activating_proteinase-2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Prophenoloxidase_activating_proteinase-2
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 54
_Mol_residue_sequence
;
LSCLTPDNKPGKCVNIKKCT
HLAEIEEDPIGEDETTYLKN
SVCAGPEDNSVCCG
;
loop_
_Residue_seq_code
_Residue_label
1 LEU 2 SER 3 CYS 4 LEU 5 THR
6 PRO 7 ASP 8 ASN 9 LYS 10 PRO
11 GLY 12 LYS 13 CYS 14 VAL 15 ASN
16 ILE 17 LYS 18 LYS 19 CYS 20 THR
21 HIS 22 LEU 23 ALA 24 GLU 25 ILE
26 GLU 27 GLU 28 ASP 29 PRO 30 ILE
31 GLY 32 GLU 33 ASP 34 GLU 35 THR
36 THR 37 TYR 38 LEU 39 LYS 40 ASN
41 SER 42 VAL 43 CYS 44 ALA 45 GLY
46 PRO 47 GLU 48 ASP 49 ASN 50 SER
51 VAL 52 CYS 53 CYS 54 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2IKE "Solution Structure Of The Second Clip Domain In Pap2" 100.00 54 100.00 100.00 1.90e-29
GB AAL76085 "prophenoloxidase-activating proteinase-2 [Manduca sexta]" 100.00 441 100.00 100.00 8.93e-28
GB AAZ91696 "prophenoloxidase activating proteinase-2 [Manduca sexta]" 100.00 441 100.00 100.00 9.48e-28
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$Prophenoloxidase_activating_proteinase-2 'Tobacco hawkmoth' . . . Manduca sexta PAP-2
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
$Prophenoloxidase_activating_proteinase-2 'recombinant technology' bacteria Escherichia coli M15 pQE60
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Saveframe_category sample
_Sample_type solution
_Details
;
1 mM Dual-Clip domain U-15N,13C,
100 mM phosphate buffer NA,
90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Prophenoloxidase_activating_proteinase-2 1.0 mM '[U-100% 13C; U-100% 15N]'
'phosphate buffer' 100 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version .
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_13C-separated_NOESY
_Sample_label $sample
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_15N-separated_NOESY
_Sample_label $sample
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 8.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_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
13C-glucose C 13 carbons ppm 0 na indirect . . . 0.251449530
water H 1 protons ppm 0 na indirect . . . 1
'[15N] ammonium chloride' N 15 nitrogen ppm 0 na indirect . . . 0.10132918
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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
3D_13C-separated_NOESY
3D_15N-separated_NOESY
stop_
loop_
_Sample_label
$sample
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'clip domain'
_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 1 LEU H H 9.50 . .
2 1 1 LEU HA H 4.47 . .
3 1 1 LEU HB2 H 1.16 . .
4 1 1 LEU HB3 H 1.68 . .
5 1 1 LEU HG H 1.56 . .
6 1 1 LEU HD1 H 0.55 . .
7 1 1 LEU HD2 H 0.83 . .
8 1 1 LEU C C 176.5 . .
9 1 1 LEU CA C 53.8 . .
10 1 1 LEU CB C 43.3 . .
11 1 1 LEU CG C 27.6 . .
12 1 1 LEU CD1 C 25.9 . .
13 1 1 LEU CD2 C 24.3 . .
14 1 1 LEU N N 128.5 . .
15 2 2 SER H H 9.24 . .
16 2 2 SER HA H 4.86 . .
17 2 2 SER HB2 H 4.06 . .
18 2 2 SER HB3 H 3.77 . .
19 2 2 SER C C 173.0 . .
20 2 2 SER CA C 59.0 . .
21 2 2 SER CB C 63.1 . .
22 2 2 SER N N 119.0 . .
23 3 3 CYS H H 8.09 . .
24 3 3 CYS HA H 4.83 . .
25 3 3 CYS HB2 H 3.32 . .
26 3 3 CYS HB3 H 3.14 . .
27 3 3 CYS C C 171.4 . .
28 3 3 CYS CA C 55.0 . .
29 3 3 CYS CB C 45.2 . .
30 3 3 CYS N N 117.8 . .
31 4 4 LEU H H 8.49 . .
32 4 4 LEU HA H 5.16 . .
33 4 4 LEU HB2 H 1.55 . .
34 4 4 LEU HB3 H 1.34 . .
35 4 4 LEU HG H 1.52 . .
36 4 4 LEU HD1 H 0.79 . .
37 4 4 LEU HD2 H 0.68 . .
38 4 4 LEU C C 177.1 . .
39 4 4 LEU CA C 53.3 . .
40 4 4 LEU CB C 45.2 . .
41 4 4 LEU CG C 26.5 . .
42 4 4 LEU CD1 C 25.1 . .
43 4 4 LEU CD2 C 23.7 . .
44 4 4 LEU N N 122.6 . .
45 5 5 THR H H 9.25 . .
46 5 5 THR HA H 4.15 . .
47 5 5 THR HB H 4.88 . .
48 5 5 THR HG2 H 1.09 . .
49 5 5 THR CA C 61.3 . .
50 5 5 THR CB C 67.9 . .
51 5 5 THR N N 116.8 . .
52 6 6 PRO HA H 4.32 . .
53 6 6 PRO HB2 H 2.27 . .
54 6 6 PRO HG2 H 1.66 . .
55 6 6 PRO C C 176.6 . .
56 6 6 PRO CA C 65.5 . .
57 6 6 PRO CB C 31.2 . .
58 7 7 ASP H H 8.08 . .
59 7 7 ASP HA H 4.69 . .
60 7 7 ASP HB2 H 2.82 . .
61 7 7 ASP HB3 H 2.72 . .
62 7 7 ASP C C 174.3 . .
63 7 7 ASP CA C 52.4 . .
64 7 7 ASP CB C 38.7 . .
65 7 7 ASP N N 110.2 . .
66 8 8 ASN H H 8.44 . .
67 8 8 ASN HA H 4.13 . .
68 8 8 ASN HB2 H 2.71 . .
69 8 8 ASN HB3 H 3.08 . .
70 8 8 ASN HD21 H 7.46 . .
71 8 8 ASN HD22 H 6.69 . .
72 8 8 ASN C C 174.0 . .
73 8 8 ASN CA C 54.7 . .
74 8 8 ASN CB C 36.7 . .
75 8 8 ASN N N 115.4 . .
76 8 8 ASN ND2 N 112.4 . .
77 9 9 LYS H H 7.99 . .
78 9 9 LYS HA H 4.75 . .
79 9 9 LYS HB2 H 1.73 . .
80 9 9 LYS HG2 H 1.21 . .
81 9 9 LYS CA C 53.3 . .
82 9 9 LYS CB C 31.7 . .
83 9 9 LYS N N 118.3 . .
84 10 10 PRO HA H 4.73 . .
85 10 10 PRO HB2 H 2.29 . .
86 10 10 PRO HB3 H 2.02 . .
87 10 10 PRO HG2 H 2.01 . .
88 10 10 PRO HD2 H 3.77 . .
89 10 10 PRO HD3 H 3.64 . .
90 10 10 PRO C C 177.0 . .
91 10 10 PRO CA C 63.0 . .
92 10 10 PRO CB C 32.0 . .
93 10 10 PRO CG C 27.6 . .
94 10 10 PRO CD C 50.4 . .
95 11 11 GLY H H 8.58 . .
96 11 11 GLY HA2 H 4.71 . .
97 11 11 GLY HA3 H 3.39 . .
98 11 11 GLY C C 173.9 . .
99 11 11 GLY CA C 44.5 . .
100 11 11 GLY N N 110.9 . .
101 12 12 LYS H H 7.76 . .
102 12 12 LYS HA H 4.86 . .
103 12 12 LYS HB2 H 1.62 . .
104 12 12 LYS HB3 H 1.48 . .
105 12 12 LYS HG2 H 1.40 . .
106 12 12 LYS HG3 H 1.47 . .
107 12 12 LYS HE2 H 2.88 . .
108 12 12 LYS C C 175.3 . .
109 12 12 LYS CA C 53.7 . .
110 12 12 LYS CB C 35.2 . .
111 12 12 LYS CG C 24.1 . .
112 12 12 LYS CD C 28.8 . .
113 12 12 LYS N N 117.8 . .
114 13 13 CYS H H 8.66 . .
115 13 13 CYS HA H 4.96 . .
116 13 13 CYS HB2 H 2.22 . .
117 13 13 CYS HB3 H 2.79 . .
118 13 13 CYS C C 174.4 . .
119 13 13 CYS CA C 56.1 . .
120 13 13 CYS CB C 40.5 . .
121 13 13 CYS N N 123.9 . .
122 14 14 VAL H H 8.78 . .
123 14 14 VAL HA H 4.74 . .
124 14 14 VAL HB H 2.14 . .
125 14 14 VAL HG1 H 0.74 . .
126 14 14 VAL HG2 H 0.76 . .
127 14 14 VAL C C 174.0 . .
128 14 14 VAL CA C 58.7 . .
129 14 14 VAL CB C 37.5 . .
130 14 14 VAL CG1 C 17.1 . .
131 14 14 VAL CG2 C 21.7 . .
132 14 14 VAL N N 122.7 . .
133 15 15 ASN H H 8.51 . .
134 15 15 ASN HA H 4.39 . .
135 15 15 ASN HB2 H 2.20 . .
136 15 15 ASN HB3 H 2.95 . .
137 15 15 ASN C C 177.2 . .
138 15 15 ASN CA C 54.7 . .
139 15 15 ASN CB C 41.7 . .
140 15 15 ASN N N 120.0 . .
141 16 16 ILE H H 8.11 . .
142 16 16 ILE HA H 3.76 . .
143 16 16 ILE HB H 1.84 . .
144 16 16 ILE HG12 H 1.21 . .
145 16 16 ILE HG13 H 1.25 . .
146 16 16 ILE HG2 H 0.95 . .
147 16 16 ILE HD1 H 0.73 . .
148 16 16 ILE C C 175.2 . .
149 16 16 ILE CA C 64.7 . .
150 16 16 ILE CB C 37.9 . .
151 16 16 ILE CG1 C 29.2 . .
152 16 16 ILE CG2 C 16.4 . .
153 16 16 ILE CD1 C 14.9 . .
154 16 16 ILE N N 124.9 . .
155 17 17 LYS H H 7.57 . .
156 17 17 LYS HA H 4.22 . .
157 17 17 LYS HB2 H 2.01 . .
158 17 17 LYS HB3 H 1.85 . .
159 17 17 LYS HG2 H 1.40 . .
160 17 17 LYS HD2 H 1.75 . .
161 17 17 LYS C C 178.7 . .
162 17 17 LYS CA C 57.7 . .
163 17 17 LYS CB C 31.1 . .
164 17 17 LYS CG C 25.1 . .
165 17 17 LYS CD C 28.4 . .
166 17 17 LYS N N 117.7 . .
167 18 18 LYS H H 8.16 . .
168 18 18 LYS HA H 3.90 . .
169 18 18 LYS HB2 H 1.80 . .
170 18 18 LYS HG2 H 1.42 . .
171 18 18 LYS HD2 H 1.58 . .
172 18 18 LYS C C 175.7 . .
173 18 18 LYS CA C 56.2 . .
174 18 18 LYS CB C 32.3 . .
175 18 18 LYS CG C 25.8 . .
176 18 18 LYS CD C 29.5 . .
177 18 18 LYS CE C 42.2 . .
178 18 18 LYS N N 116.1 . .
179 19 19 CYS H H 8.00 . .
180 19 19 CYS HA H 5.08 . .
181 19 19 CYS HB2 H 3.15 . .
182 19 19 CYS HB3 H 2.17 . .
183 19 19 CYS CA C 54.0 . .
184 19 19 CYS CB C 38.9 . .
185 19 19 CYS N N 121.9 . .
186 20 20 THR H H 7.55 . .
187 20 20 THR HA H 3.79 . .
188 20 20 THR HB H 4.14 . .
189 20 20 THR HG2 H 1.22 . .
190 20 20 THR C C 175.4 . .
191 20 20 THR CA C 67.3 . .
192 20 20 THR CB C 68.7 . .
193 20 20 THR CG2 C 21.8 . .
194 21 21 HIS H H 8.18 . .
195 21 21 HIS HA H 4.52 . .
196 21 21 HIS HB2 H 3.16 . .
197 21 21 HIS HB3 H 2.99 . .
198 21 21 HIS C C 177.1 . .
199 21 21 HIS CA C 58.9 . .
200 21 21 HIS CB C 29.5 . .
201 21 21 HIS N N 115.7 . .
202 22 22 LEU H H 6.53 . .
203 22 22 LEU HA H 4.35 . .
204 22 22 LEU HB2 H 1.34 . .
205 22 22 LEU HD1 H 0.90 . .
206 22 22 LEU C C 177.7 . .
207 22 22 LEU CA C 56.2 . .
208 22 22 LEU CB C 41.4 . .
209 22 22 LEU CD1 C 26.6 . .
210 22 22 LEU N N 119.6 . .
211 23 23 ALA H H 8.28 . .
212 23 23 ALA HA H 3.87 . .
213 23 23 ALA HB H 1.40 . .
214 23 23 ALA C C 180.3 . .
215 23 23 ALA CA C 54.9 . .
216 23 23 ALA CB C 17.6 . .
217 23 23 ALA N N 123.4 . .
218 24 24 GLU H H 7.91 . .
219 24 24 GLU HA H 4.04 . .
220 24 24 GLU HB2 H 2.01 . .
221 24 24 GLU HG2 H 2.22 . .
222 24 24 GLU C C 178.3 . .
223 24 24 GLU CA C 58.5 . .
224 24 24 GLU CB C 29.8 . .
225 24 24 GLU CG C 36.2 . .
226 24 24 GLU N N 115.9 . .
227 25 25 ILE H H 7.14 . .
228 25 25 ILE HA H 3.80 . .
229 25 25 ILE HB H 1.92 . .
230 25 25 ILE HG12 H 1.77 . .
231 25 25 ILE HG13 H 1.14 . .
232 25 25 ILE HG2 H 0.86 . .
233 25 25 ILE HD1 H 0.89 . .
234 25 25 ILE C C 176.6 . .
235 25 25 ILE CA C 63.7 . .
236 25 25 ILE CB C 38.2 . .
237 25 25 ILE CG1 C 28.3 . .
238 25 25 ILE CG2 C 18.0 . .
239 25 25 ILE CD1 C 13.7 . .
240 25 25 ILE N N 119.3 . .
241 26 26 GLU H H 7.80 . .
242 26 26 GLU HA H 3.77 . .
243 26 26 GLU HB2 H 2.05 . .
244 26 26 GLU HB3 H 1.89 . .
245 26 26 GLU HG2 H 2.12 . .
246 26 26 GLU C C 177.3 . .
247 26 26 GLU CA C 58.5 . .
248 26 26 GLU CB C 29.8 . .
249 26 26 GLU CG C 36.4 . .
250 26 26 GLU N N 120.1 . .
251 27 27 GLU H H 7.64 . .
252 27 27 GLU HA H 4.05 . .
253 27 27 GLU HB2 H 1.95 . .
254 27 27 GLU HG2 H 2.24 . .
255 27 27 GLU C C 176.4 . .
256 27 27 GLU CA C 57.6 . .
257 27 27 GLU CB C 30.4 . .
258 27 27 GLU CG C 36.2 . .
259 27 27 GLU N N 116.6 . .
260 28 28 ASP H H 7.73 . .
261 28 28 ASP HA H 4.86 . .
262 28 28 ASP HB2 H 2.40 . .
263 28 28 ASP HB3 H 2.71 . .
264 28 28 ASP CA C 52.4 . .
265 28 28 ASP CB C 41.2 . .
266 28 28 ASP N N 117.7 . .
267 29 29 PRO HA H 4.54 . .
268 29 29 PRO HB2 H 2.17 . .
269 29 29 PRO HB3 H 1.89 . .
270 29 29 PRO HD2 H 3.94 . .
271 29 29 PRO HD3 H 3.82 . .
272 29 29 PRO C C 178.2 . .
273 29 29 PRO CA C 63.1 . .
274 29 29 PRO CB C 31.7 . .
275 29 29 PRO CG C 27.1 . .
276 29 29 PRO CD C 49.8 . .
277 30 30 ILE H H 8.70 . .
278 30 30 ILE HA H 4.06 . .
279 30 30 ILE HB H 1.83 . .
280 30 30 ILE HG12 H 1.45 . .
281 30 30 ILE HG13 H 1.17 . .
282 30 30 ILE HG2 H 0.85 . .
283 30 30 ILE HD1 H 0.80 . .
284 30 30 ILE C C 176.6 . .
285 30 30 ILE CA C 61.9 . .
286 30 30 ILE CB C 38.4 . .
287 30 30 ILE CG1 C 27.4 . .
288 30 30 ILE CG2 C 17.6 . .
289 30 30 ILE CD1 C 13.1 . .
290 30 30 ILE N N 122.5 . .
291 31 31 GLY H H 7.80 . .
292 31 31 GLY HA2 H 4.09 . .
293 31 31 GLY CA C 45.0 . .
294 31 31 GLY N N 109.2 . .
295 32 32 GLU HA H 4.14 . .
296 32 32 GLU HB2 H 2.00 . .
297 32 32 GLU HG2 H 2.25 . .
298 32 32 GLU C C 178.2 . .
299 32 32 GLU CA C 58.6 . .
300 32 32 GLU CB C 29.9 . .
301 32 32 GLU CG C 36.2 . .
302 33 33 ASP H H 8.76 . .
303 33 33 ASP HA H 4.39 . .
304 33 33 ASP HB2 H 2.62 . .
305 33 33 ASP C C 178.6 . .
306 33 33 ASP CA C 56.9 . .
307 33 33 ASP CB C 39.8 . .
308 33 33 ASP N N 119.8 . .
309 34 34 GLU H H 8.43 . .
310 34 34 GLU HA H 4.11 . .
311 34 34 GLU HB2 H 2.08 . .
312 34 34 GLU HB3 H 2.14 . .
313 34 34 GLU HG2 H 2.29 . .
314 34 34 GLU C C 177.9 . .
315 34 34 GLU CA C 60.0 . .
316 34 34 GLU CB C 29.0 . .
317 34 34 GLU CG C 37.6 . .
318 34 34 GLU N N 121.8 . .
319 35 35 THR H H 7.91 . .
320 35 35 THR HA H 3.95 . .
321 35 35 THR HB H 4.22 . .
322 35 35 THR HG2 H 1.21 . .
323 35 35 THR C C 176.9 . .
324 35 35 THR CA C 66.0 . .
325 35 35 THR CB C 68.5 . .
326 35 35 THR CG2 C 22.1 . .
327 35 35 THR N N 115.2 . .
328 36 36 THR H H 8.39 . .
329 36 36 THR HA H 3.88 . .
330 36 36 THR HB H 4.30 . .
331 36 36 THR HG2 H 1.19 . .
332 36 36 THR C C 174.8 . .
333 36 36 THR CA C 66.0 . .
334 36 36 THR CB C 68.6 . .
335 36 36 THR CG2 C 22.1 . .
336 36 36 THR N N 119.5 . .
337 37 37 TYR H H 8.09 . .
338 37 37 TYR HA H 4.12 . .
339 37 37 TYR HB2 H 3.09 . .
340 37 37 TYR HB3 H 3.18 . .
341 37 37 TYR C C 178.9 . .
342 37 37 TYR CA C 61.8 . .
343 37 37 TYR CB C 38.7 . .
344 37 37 TYR N N 123.8 . .
345 38 38 LEU H H 8.27 . .
346 38 38 LEU HA H 3.95 . .
347 38 38 LEU HB2 H 1.67 . .
348 38 38 LEU HD1 H 0.90 . .
349 38 38 LEU HD2 H 0.88 . .
350 38 38 LEU C C 179.8 . .
351 38 38 LEU CA C 58.4 . .
352 38 38 LEU CB C 41.5 . .
353 38 38 LEU CD1 C 24.8 . .
354 38 38 LEU N N 120.8 . .
355 39 39 LYS H H 8.21 . .
356 39 39 LYS HA H 3.99 . .
357 39 39 LYS HB2 H 1.89 . .
358 39 39 LYS HG2 H 1.53 . .
359 39 39 LYS C C 178.9 . .
360 39 39 LYS CA C 59.2 . .
361 39 39 LYS CB C 32.0 . .
362 39 39 LYS CG C 25.1 . .
363 39 39 LYS CD C 29.1 . .
364 39 39 LYS CE C 40.0 . .
365 39 39 LYS N N 120.7 . .
366 40 40 ASN H H 8.11 . .
367 40 40 ASN HA H 4.69 . .
368 40 40 ASN HB2 H 2.84 . .
369 40 40 ASN HB3 H 2.62 . .
370 40 40 ASN HD21 H 7.58 . .
371 40 40 ASN HD22 H 6.95 . .
372 40 40 ASN C C 175.9 . .
373 40 40 ASN CA C 53.7 . .
374 40 40 ASN CB C 38.1 . .
375 40 40 ASN N N 115.7 . .
376 40 40 ASN ND2 N 112.7 . .
377 41 41 SER H H 7.75 . .
378 41 41 SER HA H 4.42 . .
379 41 41 SER HB2 H 4.09 . .
380 41 41 SER HB3 H 3.80 . .
381 41 41 SER C C 173.1 . .
382 41 41 SER CA C 59.8 . .
383 41 41 SER CB C 63.4 . .
384 41 41 SER N N 116.2 . .
385 42 42 VAL H H 6.99 . .
386 42 42 VAL HA H 4.14 . .
387 42 42 VAL HB H 1.94 . .
388 42 42 VAL HG1 H 0.88 . .
389 42 42 VAL HG2 H 1.08 . .
390 42 42 VAL C C 174.3 . .
391 42 42 VAL CA C 64.2 . .
392 42 42 VAL CB C 31.6 . .
393 42 42 VAL CG1 C 21.2 . .
394 42 42 VAL CG2 C 21.7 . .
395 42 42 VAL N N 121.1 . .
396 43 43 CYS H H 7.25 . .
397 43 43 CYS HA H 4.84 . .
398 43 43 CYS HB2 H 3.15 . .
399 43 43 CYS HB3 H 3.06 . .
400 43 43 CYS C C 172.0 . .
401 43 43 CYS CA C 51.7 . .
402 43 43 CYS CB C 45.3 . .
403 43 43 CYS N N 120.3 . .
404 44 44 ALA H H 7.96 . .
405 44 44 ALA HA H 4.46 . .
406 44 44 ALA HB H 0.84 . .
407 44 44 ALA C C 174.0 . .
408 44 44 ALA CA C 50.6 . .
409 44 44 ALA CB C 21.0 . .
410 44 44 ALA N N 122.8 . .
411 45 45 GLY H H 7.53 . .
412 45 45 GLY HA2 H 3.49 . .
413 45 45 GLY HA3 H 4.08 . .
414 45 45 GLY CA C 45.5 . .
415 45 45 GLY N N 105.5 . .
416 46 46 PRO HA H 3.92 . .
417 46 46 PRO HB2 H 2.01 . .
418 46 46 PRO HG2 H 2.04 . .
419 46 46 PRO C C 175.7 . .
420 46 46 PRO CA C 64.3 . .
421 46 46 PRO CB C 33.0 . .
422 46 46 PRO CG C 27.0 . .
423 47 47 GLU H H 8.04 . .
424 47 47 GLU HA H 4.21 . .
425 47 47 GLU HB2 H 2.01 . .
426 47 47 GLU HB3 H 1.88 . .
427 47 47 GLU HG2 H 2.37 . .
428 47 47 GLU C C 177.6 . .
429 47 47 GLU CA C 56.3 . .
430 47 47 GLU CB C 29.6 . .
431 47 47 GLU CG C 37.3 . .
432 47 47 GLU N N 117.5 . .
433 48 48 ASP H H 8.58 . .
434 48 48 ASP HA H 4.52 . .
435 48 48 ASP HB2 H 2.65 . .
436 48 48 ASP HB3 H 2.48 . .
437 48 48 ASP C C 175.1 . .
438 48 48 ASP CA C 54.7 . .
439 48 48 ASP CB C 41.0 . .
440 48 48 ASP N N 122.3 . .
441 49 49 ASN H H 8.75 . .
442 49 49 ASN HA H 4.19 . .
443 49 49 ASN HB2 H 2.57 . .
444 49 49 ASN HB3 H 2.92 . .
445 49 49 ASN HD21 H 7.55 . .
446 49 49 ASN HD22 H 6.97 . .
447 49 49 ASN C C 174.5 . .
448 49 49 ASN CA C 53.6 . .
449 49 49 ASN CB C 37.8 . .
450 49 49 ASN N N 117.2 . .
451 49 49 ASN ND2 N 113.5 . .
452 50 50 SER H H 8.54 . .
453 50 50 SER HA H 4.19 . .
454 50 50 SER HB2 H 3.68 . .
455 50 50 SER C C 175.3 . .
456 50 50 SER CA C 61.7 . .
457 50 50 SER CB C 65.1 . .
458 50 50 SER N N 114.9 . .
459 51 51 VAL H H 9.16 . .
460 51 51 VAL HA H 4.73 . .
461 51 51 VAL HB H 1.70 . .
462 51 51 VAL HG1 H 0.70 . .
463 51 51 VAL HG2 H 0.69 . .
464 51 51 VAL C C 175.1 . .
465 51 51 VAL CA C 58.7 . .
466 51 51 VAL CB C 36.2 . .
467 51 51 VAL CG1 C 19.1 . .
468 51 51 VAL CG2 C 22.5 . .
469 51 51 VAL N N 116.8 . .
470 52 52 CYS H H 8.62 . .
471 52 52 CYS HA H 4.65 . .
472 52 52 CYS HB2 H 2.72 . .
473 52 52 CYS HB3 H 2.53 . .
474 52 52 CYS C C 172.3 . .
475 52 52 CYS CA C 55.4 . .
476 52 52 CYS CB C 39.9 . .
477 52 52 CYS N N 119.1 . .
478 53 53 CYS H H 9.23 . .
479 53 53 CYS HA H 4.76 . .
480 53 53 CYS HB2 H 2.53 . .
481 53 53 CYS HB3 H 3.53 . .
482 53 53 CYS C C 173.8 . .
483 53 53 CYS CA C 56.7 . .
484 53 53 CYS CB C 42.7 . .
485 53 53 CYS N N 132.2 . .
486 54 54 GLY H H 8.60 . .
487 54 54 GLY HA2 H 3.47 . .
488 54 54 GLY HA3 H 4.26 . .
489 54 54 GLY CA C 46.4 . .
490 54 54 GLY N N 125.4 . .
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