data_15278
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Leader Protease
;
_BMRB_accession_number 15278
_BMRB_flat_file_name bmr15278.str
_Entry_type original
_Submission_date 2007-06-01
_Accession_date 2007-06-01
_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 Cencic Regina . .
2 Mayer Christina . .
3 Juliano Maria A. .
4 Juliano Luiz . .
5 Konrat Robert . .
6 Kontaxis Georg . .
7 Skern Tim . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 150
"13C chemical shifts" 474
"15N chemical shifts" 150
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-07-02 update BMRB 'complete entry citation'
2007-07-06 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
15277 Lbpro
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Investigating the substrate specificity and oligomerisation of the leader protease of foot and mouth disease virus using NMR'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17897674
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Cencic Regina . .
2 Mayer Christina . .
3 Juliano Maria A. .
4 Juliano Luiz . .
5 Konrat Robert . .
6 Kontaxis Georg . .
7 Skern Tim . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 373
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1071
_Page_last 1087
_Year 2007
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name sLbpro
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
sLbpro $sLbpro
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_sLbpro
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common sLbpro
_Molecular_mass 19034.498
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 167
_Mol_residue_sequence
;
MELTLYNGEKKTFYSRPNNH
DNAWLNAILQLFRYVEEPFF
DWVYSSPENLTLEAIKQLED
LTGLELHEGGPPALVIWNIK
HLLHTGIGTASRPSEVCVVD
GTDMCLADFHAGIFLKGQEH
AVFACVTSNGWYAIDDEDFY
PWTPDPSDVLVFVPYDQEPL
NGEWKAK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 29 MET 2 30 GLU 3 31 LEU 4 32 THR 5 33 LEU
6 34 TYR 7 35 ASN 8 36 GLY 9 37 GLU 10 38 LYS
11 39 LYS 12 40 THR 13 41 PHE 14 42 TYR 15 43 SER
16 44 ARG 17 45 PRO 18 46 ASN 19 47 ASN 20 48 HIS
21 49 ASP 22 50 ASN 23 51 ALA 24 52 TRP 25 53 LEU
26 54 ASN 27 55 ALA 28 56 ILE 29 57 LEU 30 58 GLN
31 59 LEU 32 60 PHE 33 61 ARG 34 62 TYR 35 63 VAL
36 64 GLU 37 65 GLU 38 66 PRO 39 67 PHE 40 68 PHE
41 69 ASP 42 70 TRP 43 71 VAL 44 72 TYR 45 73 SER
46 74 SER 47 75 PRO 48 76 GLU 49 77 ASN 50 78 LEU
51 79 THR 52 80 LEU 53 81 GLU 54 82 ALA 55 83 ILE
56 84 LYS 57 85 GLN 58 86 LEU 59 87 GLU 60 88 ASP
61 89 LEU 62 90 THR 63 91 GLY 64 92 LEU 65 93 GLU
66 94 LEU 67 95 HIS 68 96 GLU 69 97 GLY 70 98 GLY
71 99 PRO 72 100 PRO 73 101 ALA 74 102 LEU 75 103 VAL
76 104 ILE 77 105 TRP 78 106 ASN 79 107 ILE 80 108 LYS
81 109 HIS 82 110 LEU 83 111 LEU 84 112 HIS 85 113 THR
86 114 GLY 87 115 ILE 88 116 GLY 89 117 THR 90 118 ALA
91 119 SER 92 120 ARG 93 121 PRO 94 122 SER 95 123 GLU
96 124 VAL 97 125 CYS 98 126 VAL 99 127 VAL 100 128 ASP
101 129 GLY 102 130 THR 103 131 ASP 104 132 MET 105 133 CYS
106 134 LEU 107 135 ALA 108 136 ASP 109 137 PHE 110 138 HIS
111 139 ALA 112 140 GLY 113 141 ILE 114 142 PHE 115 143 LEU
116 144 LYS 117 145 GLY 118 146 GLN 119 147 GLU 120 148 HIS
121 149 ALA 122 150 VAL 123 151 PHE 124 152 ALA 125 153 CYS
126 154 VAL 127 155 THR 128 156 SER 129 157 ASN 130 158 GLY
131 159 TRP 132 160 TYR 133 161 ALA 134 162 ILE 135 163 ASP
136 164 ASP 137 165 GLU 138 166 ASP 139 167 PHE 140 168 TYR
141 169 PRO 142 170 TRP 143 171 THR 144 172 PRO 145 173 ASP
146 174 PRO 147 175 SER 148 176 ASP 149 177 VAL 150 178 LEU
151 179 VAL 152 180 PHE 153 181 VAL 154 182 PRO 155 183 TYR
156 184 ASP 157 185 GLN 158 186 GLU 159 187 PRO 160 188 LEU
161 189 ASN 162 190 GLY 163 191 GLU 164 192 TRP 165 193 LYS
166 194 ALA 167 195 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-13
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 15277 Lbpro 100.00 173 100.00 100.00 2.64e-120
PDB 1QMY "Fmdv Leader Protease (lbshort-c51a-c133s)" 100.00 167 99.40 99.40 6.86e-119
PDB 1QOL "Structure Of The Fmdv Leader Protease" 100.00 173 100.00 100.00 2.64e-120
PDB 2JQF "Full Length Leader Protease Of Foot And Mouth Disease Virus C51a Mutant" 100.00 173 100.00 100.00 2.64e-120
PDB 2JQG "Leader Protease" 100.00 167 100.00 100.00 5.80e-120
PDB 4QBB "Structure Of The Foot-and-mouth Disease Virus Leader Proteinase In Complex With Inhibitor (n~2~-[(3s)-4-({(2r)-1-[(4- Carbamimi" 100.00 167 99.40 99.40 4.10e-119
EMBL CAA25416 "polyprotein precursor [Foot-and-mouth disease virus]" 100.00 2332 98.80 99.40 2.81e-110
EMBL CAC86575 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.20 98.80 2.71e-109
GB AAT01757 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.80 99.40 2.73e-110
GB AAT01758 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.80 99.40 3.09e-110
GB AAT01759 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.80 99.40 3.22e-110
GB AAT01760 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.80 99.40 3.31e-110
GB AAT01761 "polyprotein [Foot-and-mouth disease virus - type O]" 100.00 2332 98.20 98.80 2.71e-109
PIR GNNYF "genome polyprotein - foot-and-mouth disease virus O (strains O1K and O1BFS) [Foot-and-mouth disease virus - type O]" 100.00 2332 98.80 99.40 2.81e-110
SP P03305 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Leader protease; Short=Lpro; Contains: RecName: Full=Protein VP0; Alt" 100.00 2332 98.80 99.40 2.81e-110
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$sLbpro . 12110 Viruses . Aphthovirus 'Foot-and-mouth disease virus'
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
$sLbpro 'recombinant technology' . Escherichia coli BL21 (DE)pLysS pET8c
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
$sLbpro 1 mM '[U-100% 13C; U-100% 15N]'
DTT 5 mM 'natural abundance'
'sodium azide' 10 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$sLbpro 1 mM '[U-100% 15N]'
DTT 5 mM 'natural abundance'
'sodium azide' 10 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$sLbpro 1 mM '[U-100% 15N]'
DTT 5 mM 'natural abundance'
'sodium azide' 10 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'Pf1 phage' 17 mg/ml 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
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_NMRDraw
_Saveframe_category software
_Name NMRDraw
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift 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
'data analysis'
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 Varian
_Model INOVA
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model 'Direct Drive'
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_2D_1H-15N_IPAP-HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N IPAP-HSQC'
_Sample_label $sample_1
save_
save_2D_1H-15N_IPAP-HSQC_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N IPAP-HSQC'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 . 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
water C 13 protons ppm 4.773 internal indirect . . . 0.251449530
water H 1 protons ppm 4.773 internal direct . . . 1.0
water N 15 protons ppm 4.773 internal indirect . . . 0.101329118
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
'2D 1H-15N HSQC'
'3D 1H-15N NOESY'
'3D HNCO'
'3D HN(CA)CO'
'3D HNCA'
'3D HN(CO)CA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name sLbpro
_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 30 2 GLU C C 174.600 0.100 1
2 30 2 GLU CA C 55.720 0.100 1
3 30 2 GLU CB C 31.530 0.100 1
4 31 3 LEU H H 8.953 0.030 1
5 31 3 LEU C C 175.300 0.100 1
6 31 3 LEU CA C 53.790 0.100 1
7 31 3 LEU CB C 45.070 0.100 1
8 31 3 LEU N N 126.700 0.050 1
9 32 4 THR H H 8.615 0.030 1
10 32 4 THR C C 174.400 0.100 1
11 32 4 THR CA C 62.650 0.100 1
12 32 4 THR CB C 68.300 0.100 1
13 32 4 THR N N 118.600 0.050 1
14 33 5 LEU H H 8.986 0.030 1
15 33 5 LEU C C 180.400 0.100 1
16 33 5 LEU CA C 54.710 0.100 1
17 33 5 LEU CB C 41.220 0.100 1
18 33 5 LEU N N 125.300 0.050 1
19 34 6 TYR H H 9.836 0.030 1
20 34 6 TYR C C 174.400 0.100 1
21 34 6 TYR CA C 60.350 0.100 1
22 34 6 TYR CB C 36.170 0.100 1
23 34 6 TYR N N 120.200 0.050 1
24 35 7 ASN H H 6.565 0.030 1
25 35 7 ASN C C 176.500 0.100 1
26 35 7 ASN CA C 50.700 0.100 1
27 35 7 ASN CB C 36.960 0.100 1
28 35 7 ASN N N 116.700 0.050 1
29 36 8 GLY H H 7.951 0.030 1
30 36 8 GLY C C 173.900 0.100 1
31 36 8 GLY CA C 45.110 0.100 1
32 36 8 GLY N N 107.800 0.050 1
33 37 9 GLU H H 7.130 0.030 1
34 37 9 GLU C C 174.700 0.100 1
35 37 9 GLU CA C 56.180 0.100 1
36 37 9 GLU CB C 30.520 0.100 1
37 37 9 GLU N N 120.100 0.050 1
38 38 10 LYS H H 8.405 0.030 1
39 38 10 LYS C C 176.900 0.100 1
40 38 10 LYS CA C 55.090 0.100 1
41 38 10 LYS CB C 34.430 0.100 1
42 38 10 LYS N N 121.200 0.050 1
43 39 11 LYS H H 8.848 0.030 1
44 39 11 LYS C C 174.000 0.100 1
45 39 11 LYS CA C 55.690 0.100 1
46 39 11 LYS CB C 37.200 0.100 1
47 39 11 LYS N N 123.600 0.050 1
48 40 12 THR H H 8.417 0.030 1
49 40 12 THR C C 173.000 0.100 1
50 40 12 THR CA C 61.950 0.100 1
51 40 12 THR CB C 69.880 0.100 1
52 40 12 THR N N 118.800 0.050 1
53 41 13 PHE H H 8.630 0.030 1
54 41 13 PHE C C 174.000 0.100 1
55 41 13 PHE CA C 56.050 0.100 1
56 41 13 PHE CB C 43.330 0.100 1
57 41 13 PHE N N 124.100 0.050 1
58 42 14 TYR H H 8.898 0.030 1
59 42 14 TYR C C 175.400 0.100 1
60 42 14 TYR CA C 54.470 0.100 1
61 42 14 TYR CB C 40.450 0.100 1
62 42 14 TYR N N 120.400 0.050 1
63 43 15 SER H H 8.697 0.030 1
64 43 15 SER C C 172.700 0.100 1
65 43 15 SER CA C 59.960 0.100 1
66 43 15 SER CB C 64.560 0.100 1
67 43 15 SER N N 117.200 0.050 1
68 44 16 ARG H H 7.326 0.030 1
69 44 16 ARG C C 171.800 0.100 1
70 44 16 ARG CA C 50.250 0.100 1
71 44 16 ARG CB C 30.200 0.100 1
72 44 16 ARG N N 119.600 0.050 1
73 45 17 PRO C C 177.800 0.100 1
74 45 17 PRO CA C 61.410 0.100 1
75 45 17 PRO CB C 32.870 0.100 1
76 46 18 ASN H H 9.145 0.030 1
77 46 18 ASN C C 174.200 0.100 1
78 46 18 ASN CA C 51.080 0.100 1
79 46 18 ASN CB C 37.970 0.100 1
80 46 18 ASN N N 119.500 0.050 1
81 47 19 ASN H H 8.485 0.030 1
82 47 19 ASN C C 175.000 0.100 1
83 47 19 ASN CA C 52.420 0.100 1
84 47 19 ASN CB C 39.540 0.100 1
85 47 19 ASN N N 119.500 0.050 1
86 48 20 HIS H H 8.525 0.030 1
87 48 20 HIS C C 174.200 0.100 1
88 48 20 HIS CA C 56.190 0.100 1
89 48 20 HIS CB C 30.340 0.100 1
90 48 20 HIS N N 120.500 0.050 1
91 49 21 ASP H H 8.648 0.030 1
92 49 21 ASP C C 176.100 0.100 1
93 49 21 ASP CA C 54.880 0.100 1
94 49 21 ASP CB C 38.990 0.100 1
95 49 21 ASP N N 122.400 0.050 1
96 50 22 ASN H H 8.247 0.030 1
97 50 22 ASN C C 176.000 0.100 1
98 50 22 ASN CA C 53.290 0.100 1
99 50 22 ASN CB C 39.850 0.100 1
100 50 22 ASN N N 108.600 0.050 1
101 51 23 ALA H H 8.726 0.030 1
102 51 23 ALA C C 178.300 0.100 1
103 51 23 ALA CA C 56.530 0.100 1
104 51 23 ALA CB C 18.000 0.100 1
105 51 23 ALA N N 129.500 0.050 1
106 52 24 TRP H H 7.899 0.030 1
107 52 24 TRP C C 174.500 0.100 1
108 52 24 TRP CA C 58.710 0.100 1
109 52 24 TRP CB C 27.620 0.100 1
110 52 24 TRP N N 113.900 0.050 1
111 53 25 LEU C C 177.400 0.100 1
112 53 25 LEU CA C 55.760 0.100 1
113 53 25 LEU CB C 40.660 0.100 1
114 54 26 ASN H H 7.769 0.030 1
115 54 26 ASN C C 176.700 0.100 1
116 54 26 ASN CA C 55.870 0.100 1
117 54 26 ASN CB C 36.270 0.100 1
118 54 26 ASN N N 121.400 0.050 1
119 55 27 ALA H H 8.394 0.030 1
120 55 27 ALA C C 179.400 0.100 1
121 55 27 ALA CA C 55.650 0.100 1
122 55 27 ALA CB C 18.020 0.100 1
123 55 27 ALA N N 120.200 0.050 1
124 56 28 ILE H H 6.947 0.030 1
125 56 28 ILE C C 176.400 0.100 1
126 56 28 ILE CA C 66.210 0.100 1
127 56 28 ILE CB C 37.880 0.100 1
128 56 28 ILE N N 117.100 0.050 1
129 57 29 LEU H H 8.604 0.030 1
130 57 29 LEU C C 180.200 0.100 1
131 57 29 LEU CA C 58.440 0.100 1
132 57 29 LEU CB C 41.230 0.100 1
133 57 29 LEU N N 118.800 0.050 1
134 58 30 GLN H H 8.184 0.030 1
135 58 30 GLN C C 177.800 0.100 1
136 58 30 GLN CA C 57.170 0.100 1
137 58 30 GLN CB C 26.810 0.100 1
138 58 30 GLN N N 116.300 0.050 1
139 59 31 LEU H H 7.700 0.030 1
140 59 31 LEU C C 178.800 0.100 1
141 59 31 LEU CA C 58.300 0.100 1
142 59 31 LEU CB C 40.810 0.100 1
143 59 31 LEU N N 120.300 0.050 1
144 60 32 PHE H H 8.964 0.030 1
145 60 32 PHE C C 178.100 0.100 1
146 60 32 PHE CA C 57.130 0.100 1
147 60 32 PHE CB C 35.660 0.100 1
148 60 32 PHE N N 117.300 0.050 1
149 61 33 ARG H H 7.919 0.030 1
150 61 33 ARG C C 178.500 0.100 1
151 61 33 ARG CA C 57.740 0.100 1
152 61 33 ARG CB C 29.520 0.100 1
153 61 33 ARG N N 122.700 0.050 1
154 62 34 TYR H H 8.580 0.030 1
155 62 34 TYR C C 177.000 0.100 1
156 62 34 TYR CA C 63.410 0.100 1
157 62 34 TYR CB C 39.770 0.100 1
158 62 34 TYR N N 121.400 0.050 1
159 63 35 VAL H H 8.119 0.030 1
160 63 35 VAL C C 174.900 0.100 1
161 63 35 VAL CA C 60.900 0.100 1
162 63 35 VAL CB C 31.520 0.100 1
163 63 35 VAL N N 106.600 0.050 1
164 64 36 GLU H H 7.674 0.030 1
165 64 36 GLU C C 175.300 0.100 1
166 64 36 GLU CA C 57.210 0.100 1
167 64 36 GLU CB C 26.070 0.100 1
168 64 36 GLU N N 118.700 0.050 1
169 65 37 GLU H H 8.675 0.030 1
170 65 37 GLU C C 176.600 0.100 1
171 65 37 GLU CA C 51.980 0.100 1
172 65 37 GLU CB C 30.680 0.100 1
173 65 37 GLU N N 122.600 0.050 1
174 66 38 PRO C C 178.800 0.100 1
175 66 38 PRO CA C 64.090 0.100 1
176 66 38 PRO CB C 32.910 0.100 1
177 67 39 PHE H H 8.739 0.030 1
178 67 39 PHE C C 175.500 0.100 1
179 67 39 PHE CA C 63.510 0.100 1
180 67 39 PHE CB C 41.010 0.100 1
181 67 39 PHE N N 122.200 0.050 1
182 68 40 PHE H H 8.824 0.030 1
183 68 40 PHE C C 177.500 0.100 1
184 68 40 PHE CA C 55.270 0.100 1
185 68 40 PHE CB C 40.700 0.100 1
186 68 40 PHE N N 111.200 0.050 1
187 69 41 ASP H H 8.543 0.030 1
188 69 41 ASP C C 177.800 0.100 1
189 69 41 ASP CA C 59.020 0.100 1
190 69 41 ASP CB C 40.250 0.100 1
191 69 41 ASP N N 125.100 0.050 1
192 70 42 TRP H H 7.985 0.030 1
193 70 42 TRP C C 176.400 0.100 1
194 70 42 TRP CA C 57.810 0.100 1
195 70 42 TRP CB C 26.830 0.100 1
196 70 42 TRP N N 116.500 0.050 1
197 71 43 VAL H H 6.349 0.030 1
198 71 43 VAL C C 178.400 0.100 1
199 71 43 VAL CA C 63.860 0.100 1
200 71 43 VAL CB C 32.480 0.100 1
201 71 43 VAL N N 118.900 0.050 1
202 72 44 TYR H H 8.107 0.030 1
203 72 44 TYR C C 176.800 0.100 1
204 72 44 TYR CA C 62.420 0.100 1
205 72 44 TYR CB C 40.510 0.100 1
206 72 44 TYR N N 121.300 0.050 1
207 73 45 SER H H 8.296 0.030 1
208 73 45 SER C C 174.000 0.100 1
209 73 45 SER CA C 58.580 0.100 1
210 73 45 SER CB C 63.730 0.100 1
211 73 45 SER N N 107.900 0.050 1
212 74 46 SER H H 6.663 0.030 1
213 74 46 SER C C 174.800 0.100 1
214 74 46 SER CA C 55.710 0.100 1
215 74 46 SER CB C 64.240 0.100 1
216 74 46 SER N N 115.900 0.050 1
217 77 49 ASN C C 176.300 0.100 1
218 77 49 ASN CA C 52.670 0.100 1
219 77 49 ASN CB C 37.150 0.100 1
220 78 50 LEU H H 8.383 0.030 1
221 78 50 LEU C C 176.200 0.100 1
222 78 50 LEU CA C 54.010 0.100 1
223 78 50 LEU CB C 41.300 0.100 1
224 78 50 LEU N N 127.900 0.050 1
225 79 51 THR H H 7.705 0.030 1
226 79 51 THR C C 175.100 0.100 1
227 79 51 THR CA C 68.680 0.100 1
228 79 51 THR CB C 68.730 0.100 1
229 79 51 THR N N 116.200 0.050 1
230 80 52 LEU H H 8.466 0.030 1
231 80 52 LEU C C 179.300 0.100 1
232 80 52 LEU CA C 58.250 0.100 1
233 80 52 LEU CB C 40.720 0.100 1
234 80 52 LEU N N 118.400 0.050 1
235 81 53 GLU H H 8.301 0.030 1
236 81 53 GLU C C 179.700 0.100 1
237 81 53 GLU CA C 60.070 0.100 1
238 81 53 GLU CB C 28.840 0.100 1
239 81 53 GLU N N 120.900 0.050 1
240 82 54 ALA H H 8.028 0.030 1
241 82 54 ALA C C 179.000 0.100 1
242 82 54 ALA CA C 55.430 0.100 1
243 82 54 ALA CB C 18.350 0.100 1
244 82 54 ALA N N 123.300 0.050 1
245 83 55 ILE H H 8.221 0.030 1
246 83 55 ILE C C 177.500 0.100 1
247 83 55 ILE CA C 67.460 0.100 1
248 83 55 ILE CB C 38.210 0.100 1
249 83 55 ILE N N 118.200 0.050 1
250 84 56 LYS H H 8.198 0.030 1
251 84 56 LYS C C 179.000 0.100 1
252 84 56 LYS CA C 59.490 0.100 1
253 84 56 LYS CB C 32.090 0.100 1
254 84 56 LYS N N 119.400 0.050 1
255 85 57 GLN H H 8.038 0.030 1
256 85 57 GLN C C 179.000 0.100 1
257 85 57 GLN CA C 59.580 0.100 1
258 85 57 GLN CB C 28.740 0.100 1
259 85 57 GLN N N 118.400 0.050 1
260 86 58 LEU H H 8.618 0.030 1
261 86 58 LEU C C 181.200 0.100 1
262 86 58 LEU CA C 58.340 0.100 1
263 86 58 LEU CB C 43.280 0.100 1
264 86 58 LEU N N 117.600 0.050 1
265 87 59 GLU H H 9.136 0.030 1
266 87 59 GLU C C 179.600 0.100 1
267 87 59 GLU CA C 60.910 0.100 1
268 87 59 GLU CB C 29.480 0.100 1
269 87 59 GLU N N 125.400 0.050 1
270 88 60 ASP H H 8.221 0.030 1
271 88 60 ASP C C 179.100 0.100 1
272 88 60 ASP CA C 57.500 0.100 1
273 88 60 ASP CB C 40.670 0.100 1
274 88 60 ASP N N 121.300 0.050 1
275 89 61 LEU H H 8.382 0.030 1
276 89 61 LEU C C 179.200 0.100 1
277 89 61 LEU CA C 57.270 0.100 1
278 89 61 LEU CB C 44.630 0.100 1
279 89 61 LEU N N 116.300 0.050 1
280 90 62 THR H H 8.141 0.030 1
281 90 62 THR C C 176.200 0.100 1
282 90 62 THR CA C 62.860 0.100 1
283 90 62 THR N N 104.700 0.050 1
284 91 63 GLY H H 8.430 0.030 1
285 91 63 GLY C C 173.700 0.100 1
286 91 63 GLY CA C 46.110 0.100 1
287 91 63 GLY N N 112.100 0.050 1
288 92 64 LEU H H 7.758 0.030 1
289 92 64 LEU C C 176.100 0.100 1
290 92 64 LEU CA C 53.860 0.100 1
291 92 64 LEU CB C 43.080 0.100 1
292 92 64 LEU N N 120.100 0.050 1
293 93 65 GLU H H 8.214 0.030 1
294 93 65 GLU C C 177.600 0.100 1
295 93 65 GLU CA C 56.290 0.100 1
296 93 65 GLU CB C 29.800 0.100 1
297 93 65 GLU N N 121.000 0.050 1
298 94 66 LEU H H 10.130 0.030 1
299 94 66 LEU C C 177.100 0.100 1
300 94 66 LEU CA C 54.370 0.100 1
301 94 66 LEU CB C 43.380 0.100 1
302 94 66 LEU N N 126.700 0.050 1
303 95 67 HIS H H 8.607 0.030 1
304 95 67 HIS C C 176.200 0.100 1
305 95 67 HIS CA C 59.820 0.100 1
306 95 67 HIS CB C 29.070 0.100 1
307 95 67 HIS N N 118.600 0.050 1
308 96 68 GLU H H 8.494 0.030 1
309 96 68 GLU C C 175.700 0.100 1
310 96 68 GLU CA C 55.080 0.100 1
311 96 68 GLU CB C 29.460 0.100 1
312 96 68 GLU N N 120.800 0.050 1
313 97 69 GLY H H 7.779 0.030 1
314 97 69 GLY C C 172.000 0.100 1
315 97 69 GLY CA C 43.760 0.100 1
316 97 69 GLY N N 110.100 0.050 1
317 100 72 PRO C C 177.400 0.100 1
318 100 72 PRO CA C 66.590 0.100 1
319 100 72 PRO CB C 32.960 0.100 1
320 101 73 ALA H H 8.755 0.030 1
321 101 73 ALA C C 178.900 0.100 1
322 101 73 ALA CA C 55.590 0.100 1
323 101 73 ALA CB C 18.790 0.100 1
324 101 73 ALA N N 116.300 0.050 1
325 102 74 LEU H H 6.720 0.030 1
326 102 74 LEU C C 179.400 0.100 1
327 102 74 LEU CA C 57.180 0.100 1
328 102 74 LEU CB C 42.460 0.100 1
329 102 74 LEU N N 117.700 0.050 1
330 103 75 VAL H H 7.901 0.030 1
331 103 75 VAL C C 176.900 0.100 1
332 103 75 VAL CA C 68.040 0.100 1
333 103 75 VAL CB C 31.620 0.100 1
334 103 75 VAL N N 118.600 0.050 1
335 104 76 ILE H H 7.724 0.030 1
336 104 76 ILE C C 177.200 0.100 1
337 104 76 ILE CA C 65.810 0.100 1
338 104 76 ILE CB C 37.820 0.100 1
339 104 76 ILE N N 115.200 0.050 1
340 105 77 TRP H H 8.305 0.030 1
341 105 77 TRP C C 178.300 0.100 1
342 105 77 TRP CA C 60.610 0.100 1
343 105 77 TRP CB C 29.870 0.100 1
344 105 77 TRP N N 117.600 0.050 1
345 106 78 ASN H H 8.140 0.030 1
346 106 78 ASN C C 176.200 0.100 1
347 106 78 ASN CA C 55.350 0.100 1
348 106 78 ASN CB C 39.690 0.100 1
349 106 78 ASN N N 113.900 0.050 1
350 107 79 ILE H H 7.463 0.030 1
351 107 79 ILE C C 177.600 0.100 1
352 107 79 ILE CA C 61.020 0.100 1
353 107 79 ILE CB C 38.560 0.100 1
354 107 79 ILE N N 109.300 0.050 1
355 108 80 LYS H H 7.115 0.030 1
356 108 80 LYS C C 176.400 0.100 1
357 108 80 LYS CA C 59.710 0.100 1
358 108 80 LYS CB C 32.320 0.100 1
359 108 80 LYS N N 120.600 0.050 1
360 109 81 HIS H H 8.750 0.030 1
361 109 81 HIS C C 176.000 0.100 1
362 109 81 HIS CA C 57.690 0.100 1
363 109 81 HIS CB C 29.190 0.100 1
364 109 81 HIS N N 118.500 0.050 1
365 110 82 LEU H H 7.585 0.030 1
366 110 82 LEU C C 176.600 0.100 1
367 110 82 LEU CA C 53.930 0.100 1
368 110 82 LEU CB C 42.160 0.100 1
369 110 82 LEU N N 120.700 0.050 1
370 111 83 LEU H H 6.762 0.030 1
371 111 83 LEU C C 176.100 0.100 1
372 111 83 LEU CA C 53.390 0.100 1
373 111 83 LEU CB C 41.730 0.100 1
374 111 83 LEU N N 116.400 0.050 1
375 112 84 HIS H H 9.886 0.030 1
376 112 84 HIS C C 174.800 0.100 1
377 112 84 HIS CA C 56.470 0.100 1
378 112 84 HIS CB C 29.710 0.100 1
379 112 84 HIS N N 122.200 0.050 1
380 113 85 THR H H 7.359 0.030 1
381 113 85 THR C C 173.500 0.100 1
382 113 85 THR CA C 62.870 0.100 1
383 113 85 THR CB C 70.980 0.100 1
384 113 85 THR N N 118.200 0.050 1
385 114 86 GLY H H 9.323 0.030 1
386 114 86 GLY C C 171.800 0.100 1
387 114 86 GLY CA C 46.830 0.100 1
388 114 86 GLY N N 116.700 0.050 1
389 115 87 ILE H H 7.773 0.030 1
390 115 87 ILE C C 176.400 0.100 1
391 115 87 ILE CA C 57.060 0.100 1
392 115 87 ILE CB C 36.980 0.100 1
393 115 87 ILE N N 123.800 0.050 1
394 116 88 GLY H H 9.053 0.030 1
395 116 88 GLY C C 172.900 0.100 1
396 116 88 GLY CA C 43.760 0.100 1
397 116 88 GLY N N 116.100 0.050 1
398 117 89 THR H H 8.032 0.030 1
399 117 89 THR C C 175.600 0.100 1
400 117 89 THR CA C 59.200 0.100 1
401 117 89 THR CB C 72.650 0.100 1
402 117 89 THR N N 111.600 0.050 1
403 118 90 ALA H H 7.483 0.030 1
404 118 90 ALA C C 178.600 0.100 1
405 118 90 ALA CA C 55.930 0.100 1
406 118 90 ALA CB C 18.910 0.100 1
407 118 90 ALA N N 119.500 0.050 1
408 119 91 SER H H 8.037 0.030 1
409 119 91 SER C C 174.200 0.100 1
410 119 91 SER CA C 60.710 0.100 1
411 119 91 SER CB C 63.250 0.100 1
412 119 91 SER N N 109.200 0.050 1
413 120 92 ARG H H 7.475 0.030 1
414 120 92 ARG C C 173.500 0.100 1
415 120 92 ARG CA C 53.420 0.100 1
416 120 92 ARG CB C 30.140 0.100 1
417 120 92 ARG N N 123.500 0.050 1
418 121 93 PRO C C 177.600 0.100 1
419 121 93 PRO CA C 64.290 0.100 1
420 121 93 PRO CB C 34.280 0.100 1
421 122 94 SER H H 6.385 0.030 1
422 122 94 SER C C 174.400 0.100 1
423 122 94 SER CA C 55.770 0.100 1
424 122 94 SER CB C 63.770 0.100 1
425 122 94 SER N N 113.500 0.050 1
426 123 95 GLU H H 8.243 0.030 1
427 123 95 GLU C C 176.200 0.100 1
428 123 95 GLU CA C 60.030 0.100 1
429 123 95 GLU CB C 30.210 0.100 1
430 123 95 GLU N N 122.200 0.050 1
431 124 96 VAL H H 8.026 0.030 1
432 124 96 VAL C C 174.700 0.100 1
433 124 96 VAL CA C 61.080 0.100 1
434 124 96 VAL CB C 34.740 0.100 1
435 124 96 VAL N N 114.600 0.050 1
436 125 97 CYS H H 8.753 0.030 1
437 125 97 CYS C C 173.200 0.100 1
438 125 97 CYS CA C 55.990 0.100 1
439 125 97 CYS CB C 31.850 0.100 1
440 125 97 CYS N N 120.500 0.050 1
441 126 98 VAL H H 8.686 0.030 1
442 126 98 VAL C C 175.700 0.100 1
443 126 98 VAL CA C 60.100 0.100 1
444 126 98 VAL CB C 33.020 0.100 1
445 126 98 VAL N N 116.100 0.050 1
446 127 99 VAL H H 7.258 0.030 1
447 127 99 VAL C C 176.200 0.100 1
448 127 99 VAL CA C 63.160 0.100 1
449 127 99 VAL CB C 33.000 0.100 1
450 127 99 VAL N N 115.900 0.050 1
451 128 100 ASP H H 8.305 0.030 1
452 128 100 ASP C C 176.500 0.100 1
453 128 100 ASP CA C 52.990 0.100 1
454 128 100 ASP CB C 41.990 0.100 1
455 128 100 ASP N N 120.100 0.050 1
456 129 101 GLY H H 7.853 0.030 1
457 129 101 GLY C C 174.800 0.100 1
458 129 101 GLY CA C 45.240 0.100 1
459 129 101 GLY N N 108.600 0.050 1
460 130 102 THR H H 7.904 0.030 1
461 130 102 THR C C 174.000 0.100 1
462 130 102 THR CA C 63.340 0.100 1
463 130 102 THR CB C 69.490 0.100 1
464 130 102 THR N N 118.100 0.050 1
465 131 103 ASP H H 8.537 0.030 1
466 131 103 ASP C C 175.200 0.100 1
467 131 103 ASP CA C 55.550 0.100 1
468 131 103 ASP CB C 40.980 0.100 1
469 131 103 ASP N N 125.700 0.050 1
470 132 104 MET H H 8.327 0.030 1
471 132 104 MET C C 175.500 0.100 1
472 132 104 MET CA C 52.590 0.100 1
473 132 104 MET CB C 32.920 0.100 1
474 132 104 MET N N 121.300 0.050 1
475 133 105 CYS H H 8.926 0.030 1
476 133 105 CYS C C 173.600 0.100 1
477 133 105 CYS CA C 55.960 0.100 1
478 133 105 CYS CB C 30.520 0.100 1
479 133 105 CYS N N 117.900 0.050 1
480 134 106 LEU H H 8.484 0.030 1
481 134 106 LEU C C 176.500 0.100 1
482 134 106 LEU CA C 57.210 0.100 1
483 134 106 LEU CB C 41.650 0.100 1
484 134 106 LEU N N 121.200 0.050 1
485 135 107 ALA H H 7.454 0.030 1
486 135 107 ALA C C 177.600 0.100 1
487 135 107 ALA CA C 52.950 0.100 1
488 135 107 ALA CB C 18.750 0.100 1
489 135 107 ALA N N 115.500 0.050 1
490 136 108 ASP H H 7.495 0.030 1
491 136 108 ASP C C 176.900 0.100 1
492 136 108 ASP CA C 56.120 0.100 1
493 136 108 ASP CB C 42.740 0.100 1
494 136 108 ASP N N 115.200 0.050 1
495 137 109 PHE H H 7.438 0.030 1
496 137 109 PHE C C 171.700 0.100 1
497 137 109 PHE CA C 55.570 0.100 1
498 137 109 PHE CB C 41.590 0.100 1
499 137 109 PHE N N 115.200 0.050 1
500 138 110 HIS H H 7.021 0.030 1
501 138 110 HIS C C 174.300 0.100 1
502 138 110 HIS CA C 52.490 0.100 1
503 138 110 HIS CB C 30.350 0.100 1
504 138 110 HIS N N 109.800 0.050 1
505 139 111 ALA H H 7.346 0.030 1
506 139 111 ALA C C 176.600 0.100 1
507 139 111 ALA CA C 51.410 0.100 1
508 139 111 ALA CB C 23.350 0.100 1
509 139 111 ALA N N 117.400 0.050 1
510 140 112 GLY H H 8.751 0.030 1
511 140 112 GLY C C 170.100 0.100 1
512 140 112 GLY CA C 47.360 0.100 1
513 140 112 GLY N N 104.600 0.050 1
514 141 113 ILE H H 8.612 0.030 1
515 141 113 ILE C C 174.400 0.100 1
516 141 113 ILE CA C 60.460 0.100 1
517 141 113 ILE CB C 40.210 0.100 1
518 141 113 ILE N N 117.200 0.050 1
519 142 114 PHE H H 9.143 0.030 1
520 142 114 PHE C C 174.600 0.100 1
521 142 114 PHE CA C 55.400 0.100 1
522 142 114 PHE CB C 43.800 0.100 1
523 142 114 PHE N N 125.100 0.050 1
524 143 115 LEU H H 8.490 0.030 1
525 143 115 LEU C C 175.500 0.100 1
526 143 115 LEU CA C 54.140 0.100 1
527 143 115 LEU CB C 41.910 0.100 1
528 143 115 LEU N N 121.500 0.050 1
529 144 116 LYS H H 8.537 0.030 1
530 144 116 LYS C C 177.600 0.100 1
531 144 116 LYS CA C 56.600 0.100 1
532 144 116 LYS CB C 33.870 0.100 1
533 144 116 LYS N N 126.700 0.050 1
534 145 117 GLY H H 9.051 0.030 1
535 145 117 GLY C C 174.100 0.100 1
536 145 117 GLY CA C 45.910 0.100 1
537 145 117 GLY N N 116.200 0.050 1
538 146 118 GLN H H 8.438 0.030 1
539 146 118 GLN C C 175.900 0.100 1
540 146 118 GLN CA C 58.000 0.100 1
541 146 118 GLN CB C 27.900 0.100 1
542 146 118 GLN N N 115.500 0.050 1
543 147 119 GLU H H 8.209 0.030 1
544 147 119 GLU C C 175.000 0.100 1
545 147 119 GLU CA C 57.000 0.100 1
546 147 119 GLU CB C 31.430 0.100 1
547 147 119 GLU N N 116.100 0.050 1
548 148 120 HIS H H 7.817 0.030 1
549 148 120 HIS C C 172.100 0.100 1
550 148 120 HIS CA C 55.330 0.100 1
551 148 120 HIS CB C 30.900 0.100 1
552 148 120 HIS N N 120.700 0.050 1
553 149 121 ALA H H 8.197 0.030 1
554 149 121 ALA C C 175.400 0.100 1
555 149 121 ALA CA C 51.630 0.100 1
556 149 121 ALA CB C 18.960 0.100 1
557 149 121 ALA N N 129.700 0.050 1
558 150 122 VAL H H 8.891 0.030 1
559 150 122 VAL C C 174.400 0.100 1
560 150 122 VAL CA C 59.020 0.100 1
561 150 122 VAL CB C 35.890 0.100 1
562 150 122 VAL N N 110.600 0.050 1
563 151 123 PHE H H 7.590 0.030 1
564 151 123 PHE C C 172.900 0.100 1
565 151 123 PHE CA C 55.830 0.100 1
566 151 123 PHE CB C 43.190 0.100 1
567 151 123 PHE N N 121.900 0.050 1
568 152 124 ALA H H 8.447 0.030 1
569 152 124 ALA C C 174.800 0.100 1
570 152 124 ALA CA C 51.270 0.100 1
571 152 124 ALA CB C 22.910 0.100 1
572 152 124 ALA N N 127.200 0.050 1
573 153 125 CYS H H 9.092 0.030 1
574 153 125 CYS C C 172.200 0.100 1
575 153 125 CYS CA C 55.890 0.100 1
576 153 125 CYS CB C 33.230 0.100 1
577 153 125 CYS N N 112.800 0.050 1
578 154 126 VAL H H 7.878 0.030 1
579 154 126 VAL C C 175.700 0.100 1
580 154 126 VAL CA C 64.550 0.100 1
581 154 126 VAL CB C 31.880 0.100 1
582 154 126 VAL N N 120.900 0.050 1
583 155 127 THR H H 6.884 0.030 1
584 155 127 THR C C 177.400 0.100 1
585 155 127 THR CA C 59.530 0.100 1
586 155 127 THR CB C 15.330 0.100 1
587 155 127 THR N N 116.100 0.050 1
588 156 128 SER H H 8.400 0.030 1
589 156 128 SER C C 174.500 0.100 1
590 156 128 SER CA C 60.830 0.100 1
591 156 128 SER CB C 62.730 0.100 1
592 156 128 SER N N 116.400 0.050 1
593 157 129 ASN H H 8.136 0.030 1
594 157 129 ASN C C 174.300 0.100 1
595 157 129 ASN CA C 52.650 0.100 1
596 157 129 ASN CB C 40.200 0.100 1
597 157 129 ASN N N 118.800 0.050 1
598 158 130 GLY H H 7.658 0.030 1
599 158 130 GLY C C 175.800 0.100 1
600 158 130 GLY CA C 43.630 0.100 1
601 158 130 GLY N N 107.900 0.050 1
602 159 131 TRP H H 8.917 0.030 1
603 159 131 TRP C C 177.200 0.100 1
604 159 131 TRP CA C 60.880 0.100 1
605 159 131 TRP CB C 29.720 0.100 1
606 159 131 TRP N N 123.800 0.050 1
607 160 132 TYR H H 9.544 0.030 1
608 160 132 TYR C C 174.000 0.100 1
609 160 132 TYR CA C 57.570 0.100 1
610 160 132 TYR CB C 44.210 0.100 1
611 160 132 TYR N N 127.600 0.050 1
612 161 133 ALA H H 9.034 0.030 1
613 161 133 ALA C C 176.300 0.100 1
614 161 133 ALA CA C 50.340 0.100 1
615 161 133 ALA CB C 21.060 0.100 1
616 161 133 ALA N N 120.700 0.050 1
617 162 134 ILE H H 8.908 0.030 1
618 162 134 ILE C C 175.300 0.100 1
619 162 134 ILE CA C 62.500 0.100 1
620 162 134 ILE CB C 38.150 0.100 1
621 162 134 ILE N N 117.700 0.050 1
622 163 135 ASP H H 8.813 0.030 1
623 163 135 ASP C C 175.100 0.100 1
624 163 135 ASP CA C 51.630 0.100 1
625 163 135 ASP CB C 42.640 0.100 1
626 163 135 ASP N N 130.000 0.050 1
627 164 136 ASP H H 7.846 0.030 1
628 164 136 ASP C C 176.800 0.100 1
629 164 136 ASP CA C 58.570 0.100 1
630 164 136 ASP CB C 39.340 0.100 1
631 164 136 ASP N N 119.900 0.050 1
632 165 137 GLU H H 8.453 0.030 1
633 165 137 GLU C C 176.000 0.100 1
634 165 137 GLU CA C 57.900 0.100 1
635 165 137 GLU CB C 30.670 0.100 1
636 165 137 GLU N N 123.600 0.050 1
637 166 138 ASP H H 8.622 0.030 1
638 166 138 ASP C C 173.300 0.100 1
639 166 138 ASP CA C 54.370 0.100 1
640 166 138 ASP CB C 44.600 0.100 1
641 166 138 ASP N N 121.000 0.050 1
642 167 139 PHE H H 8.560 0.030 1
643 167 139 PHE C C 175.900 0.100 1
644 167 139 PHE CA C 55.780 0.100 1
645 167 139 PHE CB C 42.480 0.100 1
646 167 139 PHE N N 119.500 0.050 1
647 168 140 TYR H H 8.133 0.030 1
648 168 140 TYR CA C 54.820 0.100 1
649 168 140 TYR CB C 36.230 0.100 1
650 168 140 TYR N N 118.800 0.050 1
651 169 141 PRO C C 177.100 0.100 1
652 169 141 PRO CA C 62.600 0.100 1
653 169 141 PRO CB C 31.710 0.100 1
654 170 142 TRP H H 8.172 0.030 1
655 170 142 TRP C C 172.200 0.100 1
656 170 142 TRP CA C 59.280 0.100 1
657 170 142 TRP CB C 31.050 0.100 1
658 170 142 TRP N N 127.200 0.050 1
659 171 143 THR H H 7.378 0.030 1
660 171 143 THR C C 170.900 0.100 1
661 171 143 THR CA C 58.960 0.100 1
662 171 143 THR CB C 69.150 0.100 1
663 171 143 THR N N 122.700 0.050 1
664 172 144 PRO C C 174.400 0.100 1
665 172 144 PRO CA C 60.180 0.100 1
666 172 144 PRO CB C 32.280 0.100 1
667 173 145 ASP H H 7.145 0.030 1
668 173 145 ASP C C 176.700 0.100 1
669 173 145 ASP CA C 50.170 0.100 1
670 173 145 ASP CB C 42.250 0.100 1
671 173 145 ASP N N 118.600 0.050 1
672 174 146 PRO C C 177.000 0.100 1
673 174 146 PRO CA C 64.970 0.100 1
674 174 146 PRO CB C 31.430 0.100 1
675 175 147 SER H H 8.718 0.030 1
676 175 147 SER C C 175.300 0.100 1
677 175 147 SER CA C 61.120 0.100 1
678 175 147 SER CB C 63.100 0.100 1
679 175 147 SER N N 115.400 0.050 1
680 176 148 ASP H H 8.010 0.030 1
681 176 148 ASP C C 175.700 0.100 1
682 176 148 ASP CA C 54.270 0.100 1
683 176 148 ASP CB C 42.240 0.100 1
684 176 148 ASP N N 119.900 0.050 1
685 177 149 VAL H H 7.214 0.030 1
686 177 149 VAL C C 172.700 0.100 1
687 177 149 VAL CA C 62.120 0.100 1
688 177 149 VAL CB C 33.050 0.100 1
689 177 149 VAL N N 120.600 0.050 1
690 178 150 LEU H H 8.580 0.030 1
691 178 150 LEU C C 176.200 0.100 1
692 178 150 LEU CA C 55.420 0.100 1
693 178 150 LEU CB C 45.980 0.100 1
694 178 150 LEU N N 121.900 0.050 1
695 179 151 VAL H H 7.087 0.030 1
696 179 151 VAL C C 174.000 0.100 1
697 179 151 VAL CA C 59.470 0.100 1
698 179 151 VAL CB C 36.780 0.100 1
699 179 151 VAL N N 116.500 0.050 1
700 180 152 PHE H H 9.347 0.030 1
701 180 152 PHE C C 172.400 0.100 1
702 180 152 PHE CA C 55.530 0.100 1
703 180 152 PHE CB C 41.850 0.100 1
704 180 152 PHE N N 121.700 0.050 1
705 181 153 VAL H H 8.269 0.030 1
706 181 153 VAL C C 173.000 0.100 1
707 181 153 VAL CA C 58.750 0.100 1
708 181 153 VAL CB C 31.940 0.100 1
709 181 153 VAL N N 121.500 0.050 1
710 182 154 PRO C C 178.000 0.100 1
711 182 154 PRO CA C 62.290 0.100 1
712 182 154 PRO CB C 33.500 0.100 1
713 183 155 TYR H H 7.618 0.030 1
714 183 155 TYR C C 176.500 0.100 1
715 183 155 TYR CA C 60.940 0.100 1
716 183 155 TYR CB C 39.150 0.100 1
717 183 155 TYR N N 117.200 0.050 1
718 184 156 ASP H H 8.832 0.030 1
719 184 156 ASP C C 175.900 0.100 1
720 184 156 ASP CA C 54.440 0.100 1
721 184 156 ASP CB C 41.570 0.100 1
722 184 156 ASP N N 120.700 0.050 1
723 185 157 GLN H H 8.410 0.030 1
724 185 157 GLN C C 175.600 0.100 1
725 185 157 GLN CA C 55.300 0.100 1
726 185 157 GLN CB C 29.890 0.100 1
727 185 157 GLN N N 120.100 0.050 1
728 186 158 GLU H H 8.397 0.030 1
729 186 158 GLU C C 174.500 0.100 1
730 186 158 GLU CA C 54.640 0.100 1
731 186 158 GLU CB C 29.710 0.100 1
732 186 158 GLU N N 123.000 0.050 1
733 187 159 PRO C C 177.100 0.100 1
734 187 159 PRO CA C 63.200 0.100 1
735 187 159 PRO CB C 32.070 0.100 1
736 188 160 LEU H H 8.366 0.030 1
737 188 160 LEU C C 177.300 0.100 1
738 188 160 LEU CA C 55.430 0.100 1
739 188 160 LEU CB C 42.180 0.100 1
740 188 160 LEU N N 122.400 0.050 1
741 189 161 ASN H H 8.412 0.030 1
742 189 161 ASN C C 175.600 0.100 1
743 189 161 ASN CA C 53.290 0.100 1
744 189 161 ASN CB C 39.010 0.100 1
745 189 161 ASN N N 118.700 0.050 1
746 190 162 GLY H H 8.260 0.030 1
747 190 162 GLY C C 174.200 0.100 1
748 190 162 GLY CA C 45.610 0.100 1
749 190 162 GLY N N 108.800 0.050 1
750 191 163 GLU H H 8.211 0.030 1
751 191 163 GLU C C 176.200 0.100 1
752 191 163 GLU CA C 56.650 0.100 1
753 191 163 GLU CB C 29.950 0.100 1
754 191 163 GLU N N 120.400 0.050 1
755 192 164 TRP H H 8.113 0.030 1
756 192 164 TRP C C 175.900 0.100 1
757 192 164 TRP CA C 57.550 0.100 1
758 192 164 TRP CB C 29.350 0.100 1
759 192 164 TRP N N 121.800 0.050 1
760 193 165 LYS H H 7.749 0.030 1
761 193 165 LYS C C 175.300 0.100 1
762 193 165 LYS CA C 55.810 0.100 1
763 193 165 LYS CB C 33.470 0.100 1
764 193 165 LYS N N 123.300 0.050 1
765 194 166 ALA H H 8.015 0.030 1
766 194 166 ALA C C 176.700 0.100 1
767 194 166 ALA CA C 52.520 0.100 1
768 194 166 ALA CB C 19.260 0.100 1
769 194 166 ALA N N 125.600 0.050 1
770 195 167 LYS H H 7.788 0.030 1
771 195 167 LYS C C 181.300 0.100 1
772 195 167 LYS CA C 57.650 0.100 1
773 195 167 LYS CB C 33.800 0.100 1
774 195 167 LYS N N 125.700 0.050 1
stop_
save_