data_19162
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structure of the p7 channel of Hepatitis C virus, genotype 5a
;
_BMRB_accession_number 19162
_BMRB_flat_file_name bmr19162.str
_Entry_type original
_Submission_date 2013-04-12
_Accession_date 2013-04-12
_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 OuYang Bo . .
2 Chou James J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 111
"13C chemical shifts" 224
"15N chemical shifts" 58
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-07-09 update BMRB 'update entry citation'
2013-06-17 original author 'original release'
stop_
_Original_release_date 2013-04-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Unusual architecture of the p7 channel from hepatitis C virus.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23739335
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 OuYang Bo . .
2 Xie Shiqi . .
3 Berardi Marcelo J. .
4 Zhao Xinhao . .
5 Dev Jyoti . .
6 Yu Wenjing . .
7 Sun Bing . .
8 Chou James J. .
stop_
_Journal_abbreviation Nature
_Journal_name_full Nature
_Journal_volume 498
_Journal_issue 7455
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 521
_Page_last 525
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'p7 channel of Hepatitis C virus, genotype 5a'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
HCV_p7_hexamer_1 $HCV_p7_hexamer
HCV_p7_hexamer_2 $HCV_p7_hexamer
HCV_p7_hexamer_3 $HCV_p7_hexamer
HCV_p7_hexamer_4 $HCV_p7_hexamer
HCV_p7_hexamer_5 $HCV_p7_hexamer
HCV_p7_hexamer_6 $HCV_p7_hexamer
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_HCV_p7_hexamer
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HCV_p7_hexamer
_Molecular_mass 6762.151
_Mol_thiol_state 'not presnet'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 63
_Mol_residue_sequence
;
GAKNVIVLNAASAAGNHGFF
WGLLVVTLAWHVKGRLVPGA
TYLSLGVWPLLLVRLLRPHR
ALA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 GLY 2 2 ALA 3 3 LYS 4 4 ASN 5 5 VAL
6 6 ILE 7 7 VAL 8 8 LEU 9 9 ASN 10 10 ALA
11 11 ALA 12 12 SER 13 13 ALA 14 14 ALA 15 15 GLY
16 16 ASN 17 17 HIS 18 18 GLY 19 19 PHE 20 20 PHE
21 21 TRP 22 22 GLY 23 23 LEU 24 24 LEU 25 25 VAL
26 26 VAL 27 27 THR 28 28 LEU 29 29 ALA 30 30 TRP
31 31 HIS 32 32 VAL 33 33 LYS 34 34 GLY 35 35 ARG
36 36 LEU 37 37 VAL 38 38 PRO 39 39 GLY 40 40 ALA
41 41 THR 42 42 TYR 43 43 LEU 44 44 SER 45 45 LEU
46 46 GLY 47 47 VAL 48 48 TRP 49 49 PRO 50 50 LEU
51 51 LEU 52 52 LEU 53 53 VAL 54 54 ARG 55 55 LEU
56 56 LEU 57 57 ARG 58 58 PRO 59 59 HIS 60 60 ARG
61 61 ALA 62 62 LEU 63 63 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
UNP O39928 p7 . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Variant
$HCV_p7_hexamer 'Hepatitis C virus' 11103 Viruses . Hepacivirus . EUH1480 'genotype 5a'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$HCV_p7_hexamer 'recombinant technology' . Escherichia coli BL21 DE3 pMM-LR6
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
$HCV_p7_hexamer 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]'
DPC 200 mM 'natural abundance'
MES 25 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HCV_p7_hexamer 0.8 mM '[U-100% 13C; U-100% 15N]'
DPC 200 mM [U-2H]
MES 25 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HCV_p7_hexamer 0.8 mM '[U-15% 13C]'
DPC 200 mM [U-2H]
MES 25 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HCV_p7_hexamer 0.4 mM '[U-15N; U-2H]'
$HCV_p7_hexamer 0.4 mM [U-13C]
DPC 200 mM [U-2H]
MES 25 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_5
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HCV_p7_hexamer 0.2 mM '[U-100% 13C; U-100% 15N; U-80% 2H]'
DPC 100 mM 'natural abundance'
MES 25 mM 'natural abundance'
'polyacrylamide gel' 4.5 % 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'data analysis'
processing
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'NOE assignment'
'data analysis'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'chemical shift calculation'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCA_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(COCA)CB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(COCA)CB'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_(MET)_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY (MET)'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_(Diag_Suppress)_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY (Diag Suppress)'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_(mixed_NOE)_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY (mixed NOE)'
_Sample_label $sample_4
save_
save_2D_1H-15N_HSQC_(28m_CT)_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC (28m CT)'
_Sample_label $sample_3
save_
save_J-scaled_15N_TROSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name 'J-scaled 15N TROSY'
_Sample_label $sample_5
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 50 50 mM
pH 6.5 . pH
pressure 1 . atm
temperature 273 . 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
TMS C 13 'methyl carbons' ppm 0 external direct . . . 1
TMS H 1 'methyl protons' ppm 0 external direct . . . 1
Nitromethane N 15 nitrogen ppm 380.2 external direct . . . 1
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 HNCA'
'3D HN(CO)CA'
'3D HN(CA)CO'
'3D HNCO'
'3D HNCACB'
'3D HN(COCA)CB'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY (MET)'
'2D 1H-15N HSQC (28m CT)'
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name HCV_p7_hexamer_1
_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 2 2 ALA C C 178.255 0.000 1
2 2 2 ALA CA C 53.263 0.000 1
3 2 2 ALA CB C 18.411 0.000 1
4 3 3 LYS H H 8.607 0.000 1
5 3 3 LYS C C 176.752 0.000 1
6 3 3 LYS CA C 57.816 0.000 1
7 3 3 LYS CB C 31.751 0.000 1
8 3 3 LYS N N 119.081 0.000 1
9 4 4 ASN H H 8.185 0.000 1
10 4 4 ASN C C 176.029 0.000 1
11 4 4 ASN CA C 54.712 0.000 1
12 4 4 ASN CB C 38.244 0.000 1
13 4 4 ASN N N 118.255 0.000 1
14 5 5 VAL H H 7.857 0.000 1
15 5 5 VAL HG1 H 0.892 0.000 2
16 5 5 VAL HG2 H 0.954 0.000 2
17 5 5 VAL C C 177.259 0.000 1
18 5 5 VAL CA C 64.232 0.000 1
19 5 5 VAL CB C 31.524 0.000 1
20 5 5 VAL CG1 C 21.402 0.000 2
21 5 5 VAL CG2 C 21.677 0.000 2
22 5 5 VAL N N 119.998 0.000 1
23 6 6 ILE H H 8.062 0.000 1
24 6 6 ILE HG2 H 0.827 0.000 1
25 6 6 ILE HD1 H 0.807 0.000 1
26 6 6 ILE C C 177.009 0.000 1
27 6 6 ILE CA C 63.400 0.000 1
28 6 6 ILE CB C 37.177 0.000 1
29 6 6 ILE CG2 C 17.565 0.000 1
30 6 6 ILE CD1 C 13.294 0.000 1
31 6 6 ILE N N 122.474 0.000 1
32 7 7 VAL H H 7.993 0.000 1
33 7 7 VAL HG1 H 0.879 0.000 2
34 7 7 VAL HG2 H 0.957 0.000 2
35 7 7 VAL C C 177.009 0.000 1
36 7 7 VAL CA C 65.017 0.000 1
37 7 7 VAL CB C 31.309 0.000 1
38 7 7 VAL CG1 C 21.555 0.000 2
39 7 7 VAL CG2 C 22.369 0.000 2
40 7 7 VAL N N 120.915 0.000 1
41 8 8 LEU H H 8.061 0.000 1
42 8 8 LEU HD1 H 0.844 0.000 2
43 8 8 LEU HD2 H 0.810 0.000 2
44 8 8 LEU C C 178.655 0.000 1
45 8 8 LEU CA C 56.781 0.000 1
46 8 8 LEU CB C 41.010 0.000 1
47 8 8 LEU CD1 C 25.018 0.000 2
48 8 8 LEU CD2 C 23.824 0.000 2
49 8 8 LEU N N 121.098 0.000 1
50 9 9 ASN H H 8.102 0.000 1
51 9 9 ASN C C 176.695 0.000 1
52 9 9 ASN CA C 54.919 0.000 1
53 9 9 ASN CB C 38.674 0.000 1
54 9 9 ASN N N 118.347 0.000 1
55 10 10 ALA H H 8.388 0.000 1
56 10 10 ALA HB H 1.389 0.000 1
57 10 10 ALA C C 178.263 0.000 1
58 10 10 ALA CA C 54.505 0.000 1
59 10 10 ALA CB C 17.942 0.000 1
60 10 10 ALA N N 124.124 0.000 1
61 11 11 ALA H H 8.279 0.000 1
62 11 11 ALA HB H 1.382 0.000 1
63 11 11 ALA C C 179.204 0.000 1
64 11 11 ALA CA C 54.298 0.000 1
65 11 11 ALA CB C 17.942 0.000 1
66 11 11 ALA N N 119.814 0.000 1
67 12 12 SER H H 7.952 0.000 1
68 12 12 SER C C 175.873 0.000 1
69 12 12 SER CA C 60.140 0.000 1
70 12 12 SER CB C 63.221 0.000 1
71 12 12 SER N N 113.303 0.000 1
72 13 13 ALA H H 7.924 0.000 1
73 13 13 ALA HB H 1.382 0.000 1
74 13 13 ALA C C 178.420 0.000 1
75 13 13 ALA CA C 53.470 0.000 1
76 13 13 ALA CB C 18.373 0.000 1
77 13 13 ALA N N 124.308 0.000 1
78 14 14 ALA H H 7.965 0.000 1
79 14 14 ALA HB H 1.272 0.000 1
80 14 14 ALA C C 178.420 0.000 1
81 14 14 ALA CA C 53.263 0.000 1
82 14 14 ALA CB C 18.373 0.000 1
83 14 14 ALA N N 119.998 0.000 1
84 15 15 GLY H H 8.020 0.000 1
85 15 15 GLY C C 174.422 0.000 1
86 15 15 GLY CA C 45.605 0.000 1
87 15 15 GLY N N 105.417 0.000 1
88 16 16 ASN H H 8.156 0.000 1
89 16 16 ASN C C 175.598 0.000 1
90 16 16 ASN CA C 53.677 0.000 1
91 16 16 ASN CB C 38.621 0.000 1
92 16 16 ASN N N 118.989 0.000 1
93 17 17 HIS H H 8.322 0.000 1
94 17 17 HIS C C 176.068 0.000 1
95 17 17 HIS CA C 56.781 0.000 1
96 17 17 HIS CB C 29.942 0.000 1
97 17 17 HIS N N 119.081 0.000 1
98 18 18 GLY H H 8.607 0.000 1
99 18 18 GLY C C 175.206 0.000 1
100 18 18 GLY CA C 47.054 0.000 1
101 18 18 GLY N N 109.543 0.000 1
102 19 19 PHE H H 8.716 0.000 1
103 19 19 PHE C C 176.695 0.000 1
104 19 19 PHE CA C 60.507 0.000 1
105 19 19 PHE CB C 38.638 0.000 1
106 19 19 PHE N N 120.640 0.000 1
107 20 20 PHE H H 8.143 0.000 1
108 20 20 PHE C C 176.617 0.000 1
109 20 20 PHE CA C 61.334 0.000 1
110 20 20 PHE CB C 38.460 0.000 1
111 20 20 PHE N N 118.989 0.000 1
112 21 21 TRP H H 7.911 0.000 1
113 21 21 TRP C C 178.577 0.000 1
114 21 21 TRP CA C 59.691 0.000 1
115 21 21 TRP CB C 29.636 0.000 1
116 21 21 TRP N N 118.897 0.000 1
117 22 22 GLY H H 8.306 0.000 1
118 22 22 GLY C C 174.657 0.000 1
119 22 22 GLY CA C 47.261 0.000 1
120 22 22 GLY N N 105.692 0.000 1
121 23 23 LEU H H 7.993 0.000 1
122 23 23 LEU HD1 H 0.691 0.000 2
123 23 23 LEU HD2 H 0.685 0.000 2
124 23 23 LEU C C 179.752 0.000 1
125 23 23 LEU CA C 57.402 0.000 1
126 23 23 LEU CB C 40.579 0.000 1
127 23 23 LEU CD1 C 24.429 0.000 2
128 23 23 LEU CD2 C 24.549 0.000 2
129 23 23 LEU N N 121.557 0.000 1
130 24 24 LEU H H 8.047 0.000 1
131 24 24 LEU HD1 H 0.668 0.000 2
132 24 24 LEU HD2 H 0.747 0.000 2
133 24 24 LEU C C 178.185 0.000 1
134 24 24 LEU CA C 58.437 0.000 1
135 24 24 LEU CB C 40.439 0.000 1
136 24 24 LEU CD1 C 24.675 0.000 2
137 24 24 LEU CD2 C 24.802 0.000 2
138 24 24 LEU N N 122.382 0.000 1
139 25 25 VAL H H 8.102 0.000 1
140 25 25 VAL HG1 H 0.838 0.000 2
141 25 25 VAL HG2 H 1.005 0.000 2
142 25 25 VAL C C 177.636 0.000 1
143 25 25 VAL CA C 67.129 0.000 1
144 25 25 VAL CB C 30.813 0.000 1
145 25 25 VAL CG1 C 21.512 0.000 2
146 25 25 VAL CG2 C 23.246 0.000 2
147 25 25 VAL N N 118.255 0.000 1
148 26 26 VAL H H 8.088 0.000 1
149 26 26 VAL HG1 H 0.845 0.000 2
150 26 26 VAL HG2 H 0.971 0.000 2
151 26 26 VAL C C 177.322 0.000 1
152 26 26 VAL CA C 66.686 0.000 1
153 26 26 VAL CB C 30.653 0.000 1
154 26 26 VAL CG1 C 21.653 0.000 2
155 26 26 VAL CG2 C 22.973 0.000 2
156 26 26 VAL N N 118.072 0.000 1
157 27 27 THR H H 8.047 0.000 1
158 27 27 THR HG2 H 1.163 0.000 1
159 27 27 THR C C 177.322 0.000 1
160 27 27 THR CA C 67.750 0.000 1
161 27 27 THR CG2 C 21.836 0.000 1
162 27 27 THR N N 116.788 0.000 1
163 28 28 LEU H H 8.429 0.000 1
164 28 28 LEU HD1 H 0.801 0.000 2
165 28 28 LEU HD2 H 0.769 0.000 2
166 28 28 LEU C C 178.499 0.000 1
167 28 28 LEU CA C 58.230 0.000 1
168 28 28 LEU CB C 40.794 0.000 1
169 28 28 LEU CD1 C 24.704 0.000 2
170 28 28 LEU CD2 C 24.360 0.000 2
171 28 28 LEU N N 122.932 0.000 1
172 29 29 ALA H H 8.607 0.000 1
173 29 29 ALA HB H 1.437 0.000 1
174 29 29 ALA C C 178.890 0.000 1
175 29 29 ALA CA C 55.333 0.000 1
176 29 29 ALA CB C 17.727 0.000 1
177 29 29 ALA N N 121.190 0.000 1
178 30 30 TRP H H 8.538 0.000 1
179 30 30 TRP C C 178.420 0.000 1
180 30 30 TRP CA C 60.300 0.000 1
181 30 30 TRP CB C 28.937 0.000 1
182 30 30 TRP N N 118.622 0.000 1
183 31 31 HIS H H 8.238 0.000 1
184 31 31 HIS C C 177.949 0.000 1
185 31 31 HIS CA C 59.886 0.000 1
186 31 31 HIS CB C 30.015 0.000 1
187 31 31 HIS N N 117.888 0.000 1
188 32 32 VAL H H 8.429 0.000 1
189 32 32 VAL HG1 H 0.882 0.000 2
190 32 32 VAL C C 177.401 0.000 1
191 32 32 VAL CA C 64.853 0.000 1
192 32 32 VAL CB C 30.877 0.000 1
193 32 32 VAL CG1 C 21.919 0.000 2
194 32 32 VAL N N 116.788 0.000 1
195 33 33 LYS H H 8.047 0.000 1
196 33 33 LYS C C 177.636 0.000 1
197 33 33 LYS CA C 58.851 0.000 1
198 33 33 LYS CB C 31.134 0.000 1
199 33 33 LYS N N 120.548 0.000 1
200 34 34 GLY H H 7.938 0.000 1
201 34 34 GLY C C 174.814 0.000 1
202 34 34 GLY CA C 46.019 0.000 1
203 34 34 GLY N N 106.701 0.000 1
204 35 35 ARG H H 7.624 0.000 1
205 35 35 ARG C C 176.460 0.000 1
206 35 35 ARG CA C 55.954 0.000 1
207 35 35 ARG CB C 29.799 0.000 1
208 35 35 ARG N N 118.164 0.000 1
209 36 36 LEU H H 7.720 0.000 1
210 36 36 LEU HD1 H 0.808 0.000 2
211 36 36 LEU HD2 H 0.773 0.000 2
212 36 36 LEU C C 176.539 0.000 1
213 36 36 LEU CA C 55.540 0.000 1
214 36 36 LEU CB C 42.303 0.000 1
215 36 36 LEU CD1 C 25.674 0.000 2
216 36 36 LEU CD2 C 23.495 0.000 2
217 36 36 LEU N N 118.897 0.000 1
218 37 37 VAL H H 7.911 0.000 1
219 37 37 VAL HG1 H 0.878 0.000 2
220 37 37 VAL HG2 H 0.878 0.000 2
221 37 37 VAL C C 173.804 0.000 1
222 37 37 VAL CA C 59.472 0.000 1
223 37 37 VAL CB C 31.722 0.000 1
224 37 37 VAL CG1 C 21.937 0.000 2
225 37 37 VAL CG2 C 20.823 0.000 2
226 37 37 VAL N N 118.530 0.000 1
227 38 38 PRO C C 177.636 0.000 1
228 38 38 PRO CA C 63.611 0.000 1
229 38 38 PRO CB C 31.093 0.000 1
230 39 39 GLY H H 8.525 0.000 1
231 39 39 GLY C C 174.422 0.000 1
232 39 39 GLY CA C 45.192 0.000 1
233 39 39 GLY N N 109.268 0.000 1
234 40 40 ALA H H 7.965 0.000 1
235 40 40 ALA HB H 1.327 0.000 1
236 40 40 ALA C C 178.028 0.000 1
237 40 40 ALA CA C 52.642 0.000 1
238 40 40 ALA CB C 18.804 0.000 1
239 40 40 ALA N N 123.391 0.000 1
240 41 41 THR H H 8.115 0.000 1
241 41 41 THR HG2 H 1.108 0.000 1
242 41 41 THR C C 175.363 0.000 1
243 41 41 THR CA C 62.162 0.000 1
244 41 41 THR CB C 69.467 0.000 1
245 41 41 THR CG2 C 21.635 0.000 1
246 41 41 THR N N 113.028 0.000 1
247 42 42 TYR H H 8.429 0.000 1
248 42 42 TYR C C 176.303 0.000 1
249 42 42 TYR CA C 59.473 0.000 1
250 42 42 TYR CB C 37.992 0.000 1
251 42 42 TYR N N 121.373 0.000 1
252 43 43 LEU H H 7.899 0.000 1
253 43 43 LEU HD1 H 0.768 0.000 2
254 43 43 LEU HD2 H 0.823 0.000 2
255 43 43 LEU C C 177.405 0.000 1
256 43 43 LEU CA C 55.540 0.000 1
257 43 43 LEU CB C 41.455 0.000 1
258 43 43 LEU CD1 C 23.856 0.000 2
259 43 43 LEU CD2 C 25.343 0.000 2
260 43 43 LEU N N 119.906 0.000 1
261 44 44 SER H H 7.979 0.000 1
262 44 44 SER C C 175.049 0.000 1
263 44 44 SER CA C 59.058 0.000 1
264 44 44 SER CB C 63.649 0.000 1
265 44 44 SER N N 115.779 0.000 1
266 45 45 LEU H H 8.211 0.000 1
267 45 45 LEU HD1 H 0.845 0.000 2
268 45 45 LEU HD2 H 0.767 0.000 2
269 45 45 LEU C C 177.322 0.000 1
270 45 45 LEU CA C 55.747 0.000 1
271 45 45 LEU CB C 41.441 0.000 1
272 45 45 LEU CD1 C 25.750 0.000 2
273 45 45 LEU CD2 C 23.540 0.000 2
274 45 45 LEU N N 122.199 0.000 1
275 46 46 GLY H H 8.129 0.000 1
276 46 46 GLY C C 174.422 0.000 1
277 46 46 GLY CA C 45.812 0.000 1
278 46 46 GLY N N 105.325 0.000 1
279 47 47 VAL H H 7.897 0.000 1
280 47 47 VAL HG1 H 0.710 0.000 2
281 47 47 VAL HG2 H 0.714 0.000 2
282 47 47 VAL C C 177.087 0.000 1
283 47 47 VAL CA C 62.783 0.000 1
284 47 47 VAL CB C 31.524 0.000 1
285 47 47 VAL CG1 C 20.924 0.000 2
286 47 47 VAL CG2 C 20.411 0.000 2
287 47 47 VAL N N 117.063 0.000 1
288 48 48 TRP H H 7.938 0.000 1
289 48 48 TRP C C 175.284 0.000 1
290 48 48 TRP CA C 60.921 0.000 1
291 48 48 TRP CB C 27.644 0.000 1
292 48 48 TRP N N 121.465 0.000 1
293 49 49 PRO C C 177.610 0.000 1
294 49 49 PRO CA C 65.888 0.000 1
295 49 49 PRO CB C 30.599 0.000 1
296 50 50 LEU H H 7.215 0.000 1
297 50 50 LEU HD1 H 0.887 0.000 2
298 50 50 LEU HD2 H 0.830 0.000 2
299 50 50 LEU C C 179.125 0.000 1
300 50 50 LEU CA C 57.195 0.000 1
301 50 50 LEU CB C 40.579 0.000 1
302 50 50 LEU CD1 C 24.936 0.000 2
303 50 50 LEU CD2 C 23.894 0.000 2
304 50 50 LEU N N 115.596 0.000 1
305 51 51 LEU H H 7.856 0.000 1
306 51 51 LEU HD1 H 0.745 0.000 2
307 51 51 LEU HD2 H 0.778 0.000 2
308 51 51 LEU C C 178.812 0.000 1
309 51 51 LEU CA C 57.402 0.000 1
310 51 51 LEU CB C 41.027 0.000 1
311 51 51 LEU CD1 C 25.198 0.000 2
312 51 51 LEU CD2 C 23.967 0.000 2
313 51 51 LEU N N 119.906 0.000 1
314 52 52 LEU H H 7.965 0.000 1
315 52 52 LEU HD1 H 0.887 0.000 2
316 52 52 LEU HD2 H 0.833 0.000 2
317 52 52 LEU C C 178.655 0.000 1
318 52 52 LEU CA C 57.753 0.000 1
319 52 52 LEU CB C 40.974 0.000 1
320 52 52 LEU CD1 C 24.926 0.000 2
321 52 52 LEU CD2 C 24.298 0.000 2
322 52 52 LEU N N 117.980 0.000 1
323 53 53 VAL H H 7.774 0.000 1
324 53 53 VAL HG1 H 0.930 0.000 2
325 53 53 VAL HG2 H 1.040 0.000 2
326 53 53 VAL C C 177.636 0.000 1
327 53 53 VAL CA C 66.302 0.000 1
328 53 53 VAL CB C 30.877 0.000 1
329 53 53 VAL CG1 C 21.649 0.000 2
330 53 53 VAL CG2 C 23.131 0.000 2
331 53 53 VAL N N 117.063 0.000 1
332 54 54 ARG H H 7.665 0.000 1
333 54 54 ARG C C 178.263 0.000 1
334 54 54 ARG CA C 58.230 0.000 1
335 54 54 ARG CB C 29.368 0.000 1
336 54 54 ARG N N 118.439 0.000 1
337 55 55 LEU H H 7.789 0.000 1
338 55 55 LEU HD1 H 0.852 0.000 2
339 55 55 LEU HD2 H 0.830 0.000 2
340 55 55 LEU C C 177.649 0.000 1
341 55 55 LEU CA C 56.521 0.000 1
342 55 55 LEU CB C 42.097 0.000 1
343 55 55 LEU CD1 C 25.423 0.000 2
344 55 55 LEU CD2 C 23.894 0.000 2
345 55 55 LEU N N 117.888 0.000 1
346 56 56 LEU H H 7.693 0.000 1
347 56 56 LEU HD1 H 0.803 0.000 2
348 56 56 LEU HD2 H 0.779 0.000 2
349 56 56 LEU C C 176.930 0.000 1
350 56 56 LEU CA C 55.333 0.000 1
351 56 56 LEU CB C 41.990 0.000 1
352 56 56 LEU CD1 C 25.757 0.000 2
353 56 56 LEU CD2 C 23.246 0.000 2
354 56 56 LEU N N 116.146 0.000 1
355 57 57 ARG H H 7.856 0.000 1
356 57 57 ARG C C 173.795 0.000 1
357 57 57 ARG CA C 54.919 0.000 1
358 57 57 ARG CB C 29.153 0.000 1
359 57 57 ARG N N 118.897 0.000 1
360 58 58 PRO C C 177.009 0.000 1
361 58 58 PRO CA C 63.611 0.000 1
362 58 58 PRO CB C 31.027 0.000 1
363 59 59 HIS H H 8.375 0.000 1
364 59 59 HIS C C 175.520 0.000 1
365 59 59 HIS CA C 56.574 0.000 1
366 59 59 HIS CB C 30.446 0.000 1
367 59 59 HIS N N 119.264 0.000 1
368 60 60 ARG H H 7.980 0.000 1
369 60 60 ARG C C 175.598 0.000 1
370 60 60 ARG CA C 55.751 0.000 1
371 60 60 ARG CB C 30.064 0.000 1
372 60 60 ARG N N 122.382 0.000 1
373 61 61 ALA H H 8.320 0.000 1
374 61 61 ALA HB H 1.348 0.000 1
375 61 61 ALA C C 177.401 0.000 1
376 61 61 ALA CA C 52.228 0.000 1
377 61 61 ALA CB C 18.804 0.000 1
378 61 61 ALA N N 125.041 0.000 1
379 62 62 LEU H H 8.115 0.000 1
380 62 62 LEU HD1 H 0.862 0.000 2
381 62 62 LEU HD2 H 0.802 0.000 2
382 62 62 LEU C C 175.911 0.000 1
383 62 62 LEU CA C 54.919 0.000 1
384 62 62 LEU CB C 41.657 0.000 1
385 62 62 LEU CD1 C 25.325 0.000 2
386 62 62 LEU CD2 C 23.485 0.000 2
387 62 62 LEU N N 121.281 0.000 1
388 63 63 ALA H H 7.639 0.000 1
389 63 63 ALA HB H 1.252 0.000 1
390 63 63 ALA C C 172.086 0.000 1
391 63 63 ALA CA C 53.470 0.000 1
392 63 63 ALA CB C 19.882 0.000 1
393 63 63 ALA N N 105.784 0.000 1
stop_
save_