data_26857
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 15N assignments of lipoprotein signal peptidase in complex with globomycin
;
_BMRB_accession_number 26857
_BMRB_flat_file_name bmr26857.str
_Entry_type original
_Submission_date 2016-07-22
_Accession_date 2016-07-22
_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 Laguerre Aisha . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 178
"13C chemical shifts" 485
"15N chemical shifts" 178
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-11-22 original BMRB .
stop_
_Original_release_date 2016-11-22
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
From Nanodiscs to Isotropic Bicelles: A Procedure for Solution Nuclear Magnetic Resonance Studies of Detergent-Sensitive Integral Membrane Proteins
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27618661
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Laguerre Aisha . .
2 Lohr Frank . .
3 Henrich Erik . .
4 Hoffmann Beate . .
5 Abdul-Manan Norzehan . .
6 Connolly Peter J. .
7 Perozo Eduardo . .
8 Moore Jonathan M. .
9 Bernhard Frank . .
10 Dotsch Volker . .
stop_
_Journal_abbreviation Structure
_Journal_volume 24
_Journal_issue 10
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1830
_Page_last 1841
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Lipoprotein signal peptide with globomycin'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Lipoprotein signal peptide' $lipoprotein_signal_peptidase
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_lipoprotein_signal_peptidase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common lipoprotein_signal_peptidase
_Molecular_mass .
_Mol_thiol_state 'not reported'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 194
_Mol_residue_sequence
;
MGSSHHHHHHSSAWSHPQFE
KSGLVPRGSHMSQSICSTGL
RWLWLVVVVLIIDLGSKYLI
LQNFALGDTVPLFPSLNLHY
ARNYGAAFSFLADSGGWQRW
FFAGIAIGISVILAVMMYRS
KATQKLNNIAYALIIGGALG
NLFDRLWHGFVVDMIDFYVG
DWHFATFNLADTAICVGAAL
IVLEGFLPSRAKKQ
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS
6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS
11 11 SER 12 12 SER 13 13 ALA 14 14 TRP 15 15 SER
16 16 HIS 17 17 PRO 18 18 GLN 19 19 PHE 20 20 GLU
21 21 LYS 22 22 SER 23 23 GLY 24 24 LEU 25 25 VAL
26 26 PRO 27 27 ARG 28 28 GLY 29 29 SER 30 30 HIS
31 31 MET 32 32 SER 33 33 GLN 34 34 SER 35 35 ILE
36 36 CYS 37 37 SER 38 38 THR 39 39 GLY 40 40 LEU
41 41 ARG 42 42 TRP 43 43 LEU 44 44 TRP 45 45 LEU
46 46 VAL 47 47 VAL 48 48 VAL 49 49 VAL 50 50 LEU
51 51 ILE 52 52 ILE 53 53 ASP 54 54 LEU 55 55 GLY
56 56 SER 57 57 LYS 58 58 TYR 59 59 LEU 60 60 ILE
61 61 LEU 62 62 GLN 63 63 ASN 64 64 PHE 65 65 ALA
66 66 LEU 67 67 GLY 68 68 ASP 69 69 THR 70 70 VAL
71 71 PRO 72 72 LEU 73 73 PHE 74 74 PRO 75 75 SER
76 76 LEU 77 77 ASN 78 78 LEU 79 79 HIS 80 80 TYR
81 81 ALA 82 82 ARG 83 83 ASN 84 84 TYR 85 85 GLY
86 86 ALA 87 87 ALA 88 88 PHE 89 89 SER 90 90 PHE
91 91 LEU 92 92 ALA 93 93 ASP 94 94 SER 95 95 GLY
96 96 GLY 97 97 TRP 98 98 GLN 99 99 ARG 100 100 TRP
101 101 PHE 102 102 PHE 103 103 ALA 104 104 GLY 105 105 ILE
106 106 ALA 107 107 ILE 108 108 GLY 109 109 ILE 110 110 SER
111 111 VAL 112 112 ILE 113 113 LEU 114 114 ALA 115 115 VAL
116 116 MET 117 117 MET 118 118 TYR 119 119 ARG 120 120 SER
121 121 LYS 122 122 ALA 123 123 THR 124 124 GLN 125 125 LYS
126 126 LEU 127 127 ASN 128 128 ASN 129 129 ILE 130 130 ALA
131 131 TYR 132 132 ALA 133 133 LEU 134 134 ILE 135 135 ILE
136 136 GLY 137 137 GLY 138 138 ALA 139 139 LEU 140 140 GLY
141 141 ASN 142 142 LEU 143 143 PHE 144 144 ASP 145 145 ARG
146 146 LEU 147 147 TRP 148 148 HIS 149 149 GLY 150 150 PHE
151 151 VAL 152 152 VAL 153 153 ASP 154 154 MET 155 155 ILE
156 156 ASP 157 157 PHE 158 158 TYR 159 159 VAL 160 160 GLY
161 161 ASP 162 162 TRP 163 163 HIS 164 164 PHE 165 165 ALA
166 166 THR 167 167 PHE 168 168 ASN 169 169 LEU 170 170 ALA
171 171 ASP 172 172 THR 173 173 ALA 174 174 ILE 175 175 CYS
176 176 VAL 177 177 GLY 178 178 ALA 179 179 ALA 180 180 LEU
181 181 ILE 182 182 VAL 183 183 LEU 184 184 GLU 185 185 GLY
186 186 PHE 187 187 LEU 188 188 PRO 189 189 SER 190 190 ARG
191 191 ALA 192 192 LYS 193 193 LYS 194 194 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$lipoprotein_signal_peptidase enterobacteria 562 Bacteria . Escherichia coli
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
$lipoprotein_signal_peptidase 'cell free synthesis' . Escherichia coli . pET-28(b)
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
$lipoprotein_signal_peptidase 300 uM '[U-13C; U-15N; U-2H]'
'sodium acetate buffer' 20 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 950
_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_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_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_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_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
'ionic strength' 20 . mM
pH 4.0 . pH
pressure 1 . atm
temperature 318 . 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
DSS C 13 carbons ppm 0 internal direct . . . 1
DSS H 1 protons ppm 0 internal direct . . . 1
DSS N 15 nitrogen ppm 0 internal 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
'2D 1H-15N HSQC'
'3D HNCA'
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 'Lipoprotein signal peptide'
_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 MET H H 8.416 0.005 1
2 1 1 MET C C 176.824 0.000 1
3 1 1 MET CA C 54.071 0.005 1
4 1 1 MET CB C 32.259 0.004 1
5 1 1 MET N N 128.112 0.021 1
6 2 2 GLY H H 8.520 0.005 1
7 2 2 GLY C C 174.477 0.000 1
8 2 2 GLY CA C 45.137 0.011 1
9 2 2 GLY N N 110.021 0.030 1
10 3 3 SER H H 8.161 0.007 1
11 3 3 SER CA C 58.016 0.063 1
12 3 3 SER CB C 63.247 0.027 1
13 3 3 SER N N 115.261 0.031 1
14 4 4 SER H H 8.377 0.001 1
15 4 4 SER N N 117.872 0.009 1
16 12 12 SER C C 174.303 0.000 1
17 12 12 SER CA C 58.014 0.000 1
18 12 12 SER CB C 63.226 0.000 1
19 13 13 ALA H H 8.811 0.000 1
20 13 13 ALA CA C 52.285 0.020 1
21 13 13 ALA CB C 18.269 0.003 1
22 13 13 ALA N N 125.277 0.042 1
23 14 14 TRP H H 7.917 0.005 1
24 14 14 TRP C C 176.106 0.000 1
25 14 14 TRP CA C 56.694 0.009 1
26 14 14 TRP CB C 28.988 0.007 1
27 14 14 TRP N N 119.509 0.125 1
28 15 15 SER H H 7.882 0.005 1
29 15 15 SER C C 173.570 0.000 1
30 15 15 SER CA C 57.650 0.003 1
31 15 15 SER CB C 63.216 0.000 1
32 15 15 SER N N 116.799 0.036 1
33 16 16 HIS H H 8.099 0.006 1
34 16 16 HIS CA C 53.113 0.000 1
35 16 16 HIS CB C 28.230 0.000 1
36 16 16 HIS N N 120.093 0.020 1
37 17 17 PRO C C 176.851 0.000 1
38 18 18 GLN H H 8.403 0.003 1
39 18 18 GLN CA C 55.704 0.090 1
40 18 18 GLN CB C 32.201 0.000 1
41 18 18 GLN N N 120.552 0.141 1
42 19 19 PHE H H 8.097 0.005 1
43 19 19 PHE CA C 57.093 0.000 1
44 19 19 PHE CB C 38.817 0.000 1
45 19 19 PHE N N 120.368 0.016 1
46 20 20 GLU H H 8.264 0.017 1
47 20 20 GLU CB C 29.809 0.000 1
48 20 20 GLU N N 122.174 0.038 1
49 21 21 LYS H H 8.250 0.008 1
50 21 21 LYS C C 176.680 0.000 1
51 21 21 LYS CB C 32.055 0.083 1
52 21 21 LYS N N 122.220 0.007 1
53 22 22 SER H H 8.218 0.007 1
54 22 22 SER C C 175.076 0.000 1
55 22 22 SER CA C 58.247 0.009 1
56 22 22 SER CB C 63.302 0.004 1
57 22 22 SER N N 116.325 0.041 1
58 23 23 GLY H H 8.317 0.006 1
59 23 23 GLY C C 173.930 0.000 1
60 23 23 GLY CA C 44.957 0.012 1
61 23 23 GLY N N 110.255 0.030 1
62 24 24 LEU H H 7.960 0.007 1
63 24 24 LEU C C 177.066 0.000 1
64 24 24 LEU CA C 54.839 0.016 1
65 24 24 LEU CB C 41.452 0.008 1
66 24 24 LEU N N 121.395 0.021 1
67 25 25 VAL H H 7.962 0.009 1
68 25 25 VAL CA C 59.392 0.005 1
69 25 25 VAL CB C 31.796 0.000 1
70 25 25 VAL N N 122.071 0.055 1
71 26 26 PRO C C 176.996 0.000 1
72 26 26 PRO CA C 62.767 0.000 1
73 26 26 PRO CB C 31.170 0.000 1
74 27 27 ARG H H 8.342 0.007 1
75 27 27 ARG C C 176.375 0.000 1
76 27 27 ARG CA C 55.886 0.001 1
77 27 27 ARG CB C 30.030 0.000 1
78 27 27 ARG N N 121.439 0.055 1
79 28 28 GLY H H 8.346 0.004 1
80 28 28 GLY C C 174.084 0.000 1
81 28 28 GLY CA C 44.886 0.002 1
82 28 28 GLY N N 109.580 0.021 1
83 29 29 SER H H 8.126 0.004 1
84 29 29 SER CA C 57.864 0.034 1
85 29 29 SER N N 115.098 0.028 1
86 30 30 HIS H H 8.554 0.007 1
87 30 30 HIS C C 175.196 0.000 1
88 30 30 HIS CA C 55.178 0.000 1
89 30 30 HIS CB C 28.662 0.000 1
90 30 30 HIS N N 120.256 0.057 1
91 31 31 MET H H 8.486 0.023 1
92 31 31 MET C C 175.197 0.000 1
93 31 31 MET CA C 54.952 0.070 1
94 31 31 MET N N 120.965 0.025 1
95 32 32 SER H H 8.458 0.011 1
96 32 32 SER C C 174.258 0.000 1
97 32 32 SER CA C 58.064 0.002 1
98 32 32 SER CB C 63.376 0.000 1
99 32 32 SER N N 117.902 0.086 1
100 33 33 GLN H H 8.468 0.035 1
101 33 33 GLN CA C 55.312 0.025 1
102 33 33 GLN CB C 29.051 0.000 1
103 33 33 GLN N N 122.191 0.026 1
104 34 34 SER H H 8.356 0.034 1
105 34 34 SER CA C 57.486 0.000 1
106 34 34 SER CB C 63.312 0.000 1
107 34 34 SER N N 117.064 0.086 1
108 35 35 ILE H H 8.138 0.003 1
109 35 35 ILE CA C 60.904 0.000 1
110 35 35 ILE N N 122.008 0.005 1
111 38 38 THR H H 7.872 0.000 1
112 38 38 THR C C 175.507 0.000 1
113 38 38 THR CA C 60.961 0.000 1
114 38 38 THR N N 114.768 0.000 1
115 39 39 GLY H H 8.249 0.003 1
116 39 39 GLY C C 175.625 0.000 1
117 39 39 GLY CA C 46.718 0.045 1
118 39 39 GLY N N 108.247 0.054 1
119 40 40 LEU H H 8.317 0.022 1
120 40 40 LEU CA C 56.463 0.000 1
121 40 40 LEU N N 117.658 0.069 1
122 41 41 ARG H H 7.993 0.002 1
123 41 41 ARG CA C 58.835 0.000 1
124 41 41 ARG N N 120.013 0.042 1
125 42 42 TRP H H 7.587 0.020 1
126 42 42 TRP C C 59.007 0.000 1
127 42 42 TRP CB C 28.887 0.000 1
128 42 42 TRP N N 118.795 0.097 1
129 43 43 LEU H H 8.328 0.019 1
130 43 43 LEU C C 57.413 0.000 1
131 43 43 LEU N N 120.331 0.094 1
132 44 44 TRP H H 7.417 0.008 1
133 44 44 TRP C C 176.926 0.000 1
134 44 44 TRP N N 115.460 0.097 1
135 45 45 LEU H H 6.907 0.002 1
136 45 45 LEU C C 178.131 0.000 1
137 45 45 LEU CA C 56.931 0.000 1
138 45 45 LEU N N 123.587 0.094 1
139 46 46 VAL H H 7.171 0.014 1
140 46 46 VAL C C 177.460 0.000 1
141 46 46 VAL CA C 66.207 0.018 1
142 46 46 VAL N N 118.142 0.026 1
143 47 47 VAL H H 7.096 0.004 1
144 47 47 VAL C C 176.994 0.000 1
145 47 47 VAL CA C 66.259 0.000 1
146 47 47 VAL CB C 30.431 0.000 1
147 47 47 VAL N N 115.363 0.037 1
148 48 48 VAL H H 7.884 0.014 1
149 48 48 VAL C C 177.027 0.000 1
150 48 48 VAL CA C 67.241 0.000 1
151 48 48 VAL CB C 30.841 0.000 1
152 48 48 VAL N N 118.129 0.043 1
153 49 49 VAL H H 8.169 0.009 1
154 49 49 VAL C C 176.853 0.000 1
155 49 49 VAL CA C 67.078 0.021 1
156 49 49 VAL CB C 30.798 0.000 1
157 49 49 VAL N N 118.078 0.046 1
158 50 50 LEU H H 8.104 0.011 1
159 50 50 LEU C C 178.477 0.000 1
160 50 50 LEU CA C 58.326 0.000 1
161 50 50 LEU CB C 41.943 0.000 1
162 50 50 LEU N N 118.592 0.030 1
163 51 51 ILE H H 8.366 0.017 1
164 51 51 ILE C C 178.266 0.000 1
165 51 51 ILE CA C 65.108 0.030 1
166 51 51 ILE CB C 36.792 0.000 1
167 51 51 ILE N N 116.568 0.117 1
168 52 52 ILE H H 8.288 0.013 1
169 52 52 ILE C C 178.732 0.000 1
170 52 52 ILE CA C 64.727 0.000 1
171 52 52 ILE CB C 36.560 0.000 1
172 52 52 ILE N N 118.085 0.109 1
173 53 53 ASP H H 9.194 0.007 1
174 53 53 ASP C C 177.953 0.000 1
175 53 53 ASP CA C 59.109 0.021 1
176 53 53 ASP CB C 43.645 0.049 1
177 53 53 ASP N N 121.989 0.049 1
178 54 54 LEU H H 8.862 0.006 1
179 54 54 LEU C C 180.121 0.000 1
180 54 54 LEU CA C 57.682 0.010 1
181 54 54 LEU CB C 40.276 0.000 1
182 54 54 LEU N N 117.006 0.028 1
183 55 55 GLY H H 8.962 0.007 1
184 55 55 GLY CA C 47.033 0.000 1
185 55 55 GLY N N 107.749 0.024 1
186 56 56 SER C C 176.037 0.000 1
187 57 57 LYS H H 7.806 0.008 1
188 57 57 LYS C C 177.777 0.000 1
189 57 57 LYS CA C 60.404 0.009 1
190 57 57 LYS CB C 32.086 0.000 1
191 57 57 LYS N N 123.223 0.027 1
192 58 58 TYR H H 8.379 0.012 1
193 58 58 TYR C C 177.215 0.000 1
194 58 58 TYR CA C 61.736 0.001 1
195 58 58 TYR CB C 37.849 0.000 1
196 58 58 TYR N N 119.480 0.033 1
197 59 59 LEU H H 7.878 0.018 1
198 59 59 LEU C C 180.241 0.000 1
199 59 59 LEU CA C 57.598 0.000 1
200 59 59 LEU CB C 41.509 0.000 1
201 59 59 LEU N N 116.408 0.054 1
202 60 60 ILE H H 7.709 0.011 1
203 60 60 ILE C C 176.923 0.000 1
204 60 60 ILE CA C 60.956 0.000 1
205 60 60 ILE CB C 33.439 0.000 1
206 60 60 ILE N N 120.180 0.020 1
207 61 61 LEU H H 8.010 0.014 1
208 61 61 LEU C C 179.816 0.000 1
209 61 61 LEU CA C 57.043 0.042 1
210 61 61 LEU CB C 40.642 0.000 1
211 61 61 LEU N N 118.615 0.049 1
212 62 62 GLN H H 7.825 0.005 1
213 62 62 GLN C C 176.882 0.000 1
214 62 62 GLN CA C 56.307 0.027 1
215 62 62 GLN CB C 29.374 0.000 1
216 62 62 GLN N N 113.690 0.119 1
217 63 63 ASN H H 7.291 0.006 1
218 63 63 ASN C C 173.449 0.000 1
219 63 63 ASN CA C 54.581 0.004 1
220 63 63 ASN CB C 42.347 0.000 1
221 63 63 ASN N N 112.957 0.115 1
222 64 64 PHE H H 8.665 0.010 1
223 64 64 PHE C C 174.816 0.000 1
224 64 64 PHE CA C 56.629 0.005 1
225 64 64 PHE CB C 39.401 0.001 1
226 64 64 PHE N N 120.363 0.093 1
227 65 65 ALA H H 8.806 0.022 1
228 65 65 ALA C C 178.539 0.000 1
229 65 65 ALA CA C 50.243 0.005 1
230 65 65 ALA CB C 18.730 0.000 1
231 65 65 ALA N N 124.587 0.016 1
232 66 66 LEU H H 8.425 0.005 1
233 66 66 LEU C C 178.539 0.000 1
234 66 66 LEU CA C 56.827 0.011 1
235 66 66 LEU CB C 40.315 0.000 1
236 66 66 LEU N N 122.546 0.037 1
237 67 67 GLY H H 8.023 0.006 1
238 67 67 GLY C C 173.969 0.000 1
239 67 67 GLY CA C 44.666 0.013 1
240 67 67 GLY N N 114.748 0.077 1
241 68 68 ASP H H 8.342 0.003 1
242 68 68 ASP C C 176.672 0.000 1
243 68 68 ASP CA C 55.407 0.011 1
244 68 68 ASP CB C 41.423 0.000 1
245 68 68 ASP N N 121.577 0.051 1
246 69 69 THR H H 8.400 0.006 1
247 69 69 THR C C 176.672 0.000 1
248 69 69 THR CA C 61.338 0.002 1
249 69 69 THR CB C 71.267 0.000 1
250 69 69 THR N N 116.396 0.063 1
251 70 70 VAL H H 9.551 0.007 1
252 70 70 VAL CA C 58.481 0.000 1
253 70 70 VAL CB C 35.167 0.000 1
254 70 70 VAL N N 127.365 0.048 1
255 71 71 PRO CA C 62.646 0.000 1
256 71 71 PRO CB C 31.612 0.000 1
257 72 72 LEU H H 8.290 0.032 1
258 72 72 LEU C C 175.057 0.000 1
259 72 72 LEU CA C 55.720 0.013 1
260 72 72 LEU CB C 42.844 0.000 1
261 72 72 LEU N N 121.373 0.096 1
262 73 73 PHE H H 8.053 0.005 1
263 73 73 PHE CA C 54.737 0.000 1
264 73 73 PHE CB C 38.694 0.000 1
265 73 73 PHE N N 114.043 0.066 1
266 74 74 PRO C C 175.219 0.000 1
267 74 74 PRO CA C 65.965 0.000 1
268 74 74 PRO CB C 30.436 0.000 1
269 75 75 SER H H 6.946 0.011 1
270 75 75 SER C C 172.124 0.000 1
271 75 75 SER CA C 63.457 0.000 1
272 75 75 SER N N 111.175 0.103 1
273 76 76 LEU H H 8.347 0.009 1
274 76 76 LEU C C 175.183 0.000 1
275 76 76 LEU CA C 54.190 0.010 1
276 76 76 LEU CB C 45.476 0.002 1
277 76 76 LEU N N 120.163 0.074 1
278 77 77 ASN H H 9.588 0.008 1
279 77 77 ASN C C 175.787 0.000 1
280 77 77 ASN CA C 51.052 0.007 1
281 77 77 ASN CB C 41.119 0.032 1
282 77 77 ASN N N 124.290 0.142 1
283 78 78 LEU H H 8.922 0.010 1
284 78 78 LEU C C 177.032 0.000 1
285 78 78 LEU CA C 53.185 0.000 1
286 78 78 LEU CB C 42.503 0.027 1
287 78 78 LEU N N 117.480 0.059 1
288 79 79 HIS H H 9.101 0.008 1
289 79 79 HIS C C 172.572 0.000 1
290 79 79 HIS CA C 53.409 0.024 1
291 79 79 HIS CB C 31.224 0.004 1
292 79 79 HIS N N 124.273 0.034 1
293 80 80 TYR H H 7.402 0.008 1
294 80 80 TYR C C 173.191 0.000 1
295 80 80 TYR CA C 54.728 0.003 1
296 80 80 TYR CB C 36.238 0.007 1
297 80 80 TYR N N 123.737 0.043 1
298 81 81 ALA H H 8.699 0.005 1
299 81 81 ALA C C 174.425 0.000 1
300 81 81 ALA CA C 49.799 0.011 1
301 81 81 ALA CB C 21.979 0.021 1
302 81 81 ALA N N 134.115 0.035 1
303 82 82 ARG H H 7.878 0.014 1
304 82 82 ARG C C 175.621 0.000 1
305 82 82 ARG CA C 53.980 0.002 1
306 82 82 ARG CB C 32.489 0.013 1
307 82 82 ARG N N 117.498 0.033 1
308 83 83 ASN H H 9.557 0.005 1
309 83 83 ASN C C 177.175 0.000 1
310 83 83 ASN CA C 51.494 0.012 1
311 83 83 ASN CB C 39.747 0.024 1
312 83 83 ASN N N 121.216 0.124 1
313 84 84 TYR H H 9.567 0.011 1
314 84 84 TYR C C 176.031 0.000 1
315 84 84 TYR CA C 59.618 0.017 1
316 84 84 TYR CB C 37.217 0.000 1
317 84 84 TYR N N 127.597 0.094 1
318 85 85 GLY H H 8.999 0.015 1
319 85 85 GLY C C 173.954 0.000 1
320 85 85 GLY CA C 44.682 0.003 1
321 85 85 GLY N N 110.347 0.035 1
322 86 86 ALA H H 8.594 0.016 1
323 86 86 ALA C C 175.731 0.000 1
324 86 86 ALA CA C 52.387 0.000 1
325 86 86 ALA CB C 18.355 0.000 1
326 86 86 ALA N N 123.975 0.067 1
327 87 87 ALA H H 8.325 0.018 1
328 87 87 ALA C C 177.235 0.000 1
329 87 87 ALA CA C 52.338 0.015 1
330 87 87 ALA CB C 18.163 0.000 1
331 87 87 ALA N N 121.536 0.093 1
332 88 88 PHE H H 7.877 0.018 1
333 88 88 PHE C C 176.978 0.000 1
334 88 88 PHE CA C 56.911 0.029 1
335 88 88 PHE CB C 38.538 0.000 1
336 88 88 PHE N N 115.367 0.108 1
337 89 89 SER H H 8.670 0.014 1
338 89 89 SER C C 175.378 0.000 1
339 89 89 SER CA C 60.550 0.003 1
340 89 89 SER CB C 62.358 0.000 1
341 89 89 SER N N 117.471 0.093 1
342 90 90 PHE H H 7.514 0.005 1
343 90 90 PHE C C 175.378 0.000 1
344 90 90 PHE CA C 57.463 0.052 1
345 90 90 PHE CB C 37.717 0.000 1
346 90 90 PHE N N 116.882 0.043 1
347 91 91 LEU H H 7.377 0.010 1
348 91 91 LEU C C 176.458 0.000 1
349 91 91 LEU CA C 54.182 0.028 1
350 91 91 LEU CB C 41.688 0.009 1
351 91 91 LEU N N 119.260 0.233 1
352 92 92 ALA H H 7.834 0.008 1
353 92 92 ALA C C 177.533 0.000 1
354 92 92 ALA CA C 52.875 0.015 1
355 92 92 ALA CB C 18.549 0.006 1
356 92 92 ALA N N 121.890 0.208 1
357 93 93 ASP H H 8.371 0.019 1
358 93 93 ASP C C 176.491 0.000 1
359 93 93 ASP CA C 53.877 0.003 1
360 93 93 ASP CB C 40.116 0.000 1
361 93 93 ASP N N 118.398 0.022 1
362 94 94 SER H H 8.029 0.009 1
363 94 94 SER C C 175.423 0.000 1
364 94 94 SER CA C 58.460 0.024 1
365 94 94 SER CB C 63.206 0.002 1
366 94 94 SER N N 114.848 0.059 1
367 95 95 GLY H H 8.481 0.009 1
368 95 95 GLY C C 175.390 0.000 1
369 95 95 GLY CA C 45.751 0.015 1
370 95 95 GLY N N 110.254 0.052 1
371 96 96 GLY H H 8.454 0.008 1
372 96 96 GLY C C 175.736 0.000 1
373 96 96 GLY CA C 46.049 0.009 1
374 96 96 GLY N N 109.016 0.029 1
375 97 97 TRP H H 7.991 0.008 1
376 97 97 TRP C C 177.963 0.000 1
377 97 97 TRP CA C 58.475 0.004 1
378 97 97 TRP N N 119.517 0.090 1
379 98 98 GLN H H 8.528 0.010 1
380 98 98 GLN C C 177.367 0.000 1
381 98 98 GLN CA C 60.037 0.005 1
382 98 98 GLN CB C 26.762 0.000 1
383 98 98 GLN N N 120.935 0.134 1
384 99 99 ARG H H 7.942 0.009 1
385 99 99 ARG CA C 57.731 0.000 1
386 99 99 ARG CB C 28.869 0.000 1
387 99 99 ARG N N 116.811 0.058 1
388 100 100 TRP H H 7.877 0.001 1
389 100 100 TRP C C 178.638 0.000 1
390 100 100 TRP CA C 57.622 0.057 1
391 100 100 TRP N N 113.023 0.002 1
392 101 101 PHE H H 8.420 0.006 1
393 101 101 PHE C C 177.635 0.000 1
394 101 101 PHE CA C 60.991 0.036 1
395 101 101 PHE CB C 38.534 0.000 1
396 101 101 PHE N N 120.515 0.043 1
397 102 102 PHE H H 8.548 0.007 1
398 102 102 PHE C C 179.591 0.000 1
399 102 102 PHE CA C 58.860 0.061 1
400 102 102 PHE CB C 36.630 0.000 1
401 102 102 PHE N N 116.978 0.054 1
402 103 103 ALA H H 8.118 0.011 1
403 103 103 ALA C C 179.591 0.000 1
404 103 103 ALA CA C 54.648 0.006 1
405 103 103 ALA CB C 17.918 0.054 1
406 103 103 ALA N N 121.184 0.058 1
407 104 104 GLY H H 8.992 0.010 1
408 104 104 GLY C C 179.179 0.000 1
409 104 104 GLY CA C 47.232 0.007 1
410 104 104 GLY N N 105.762 0.036 1
411 105 105 ILE H H 8.289 0.008 1
412 105 105 ILE C C 175.452 0.000 1
413 105 105 ILE CA C 64.357 0.000 1
414 105 105 ILE CB C 36.755 0.000 1
415 105 105 ILE N N 119.220 0.044 1
416 106 106 ALA H H 7.581 0.010 1
417 106 106 ALA C C 176.849 0.000 1
418 106 106 ALA CA C 55.224 0.016 1
419 106 106 ALA CB C 18.447 0.000 1
420 106 106 ALA N N 120.394 0.033 1
421 107 107 ILE H H 8.623 0.017 1
422 107 107 ILE C C 177.099 0.000 1
423 107 107 ILE CA C 64.751 0.014 1
424 107 107 ILE CB C 37.083 0.000 1
425 107 107 ILE N N 118.501 0.054 1
426 108 108 GLY H H 8.699 0.011 1
427 108 108 GLY C C 177.099 0.000 1
428 108 108 GLY CA C 47.480 0.004 1
429 108 108 GLY N N 106.049 0.053 1
430 109 109 ILE H H 8.489 0.008 1
431 109 109 ILE C C 176.888 0.000 1
432 109 109 ILE CA C 63.613 0.038 1
433 109 109 ILE CB C 35.530 0.000 1
434 109 109 ILE N N 118.045 0.035 1
435 110 110 SER H H 7.608 0.009 1
436 110 110 SER C C 176.888 0.000 1
437 110 110 SER CA C 64.055 0.019 1
438 110 110 SER CB C 61.995 0.000 1
439 110 110 SER N N 115.770 0.021 1
440 111 111 VAL H H 8.158 0.004 1
441 111 111 VAL C C 174.917 0.000 1
442 111 111 VAL CA C 66.563 0.002 1
443 111 111 VAL CB C 30.505 0.000 1
444 111 111 VAL N N 118.864 0.030 1
445 112 112 ILE H H 7.735 0.007 1
446 112 112 ILE C C 177.789 0.000 1
447 112 112 ILE CA C 65.192 0.002 1
448 112 112 ILE CB C 36.984 0.000 1
449 112 112 ILE N N 117.662 0.044 1
450 113 113 LEU H H 8.346 0.004 1
451 113 113 LEU C C 178.437 0.000 1
452 113 113 LEU CA C 57.242 0.019 1
453 113 113 LEU CB C 40.160 0.000 1
454 113 113 LEU N N 117.418 0.072 1
455 114 114 ALA H H 8.217 0.018 1
456 114 114 ALA C C 179.948 0.000 1
457 114 114 ALA CA C 54.875 0.001 1
458 114 114 ALA CB C 16.865 0.000 1
459 114 114 ALA N N 122.366 0.094 1
460 115 115 VAL H H 8.093 0.004 1
461 115 115 VAL C C 178.221 0.000 1
462 115 115 VAL CA C 66.655 0.010 1
463 115 115 VAL CB C 30.071 0.000 1
464 115 115 VAL N N 118.536 0.059 1
465 116 116 MET H H 8.066 0.017 1
466 116 116 MET C C 179.956 0.000 1
467 116 116 MET CA C 58.392 0.027 1
468 116 116 MET CB C 30.360 0.000 1
469 116 116 MET N N 118.407 0.138 1
470 117 117 MET H H 8.384 0.009 1
471 117 117 MET C C 178.882 0.000 1
472 117 117 MET CA C 59.222 0.020 1
473 117 117 MET CB C 34.522 0.000 1
474 117 117 MET N N 120.229 0.043 1
475 118 118 TYR H H 8.275 0.008 1
476 118 118 TYR C C 175.673 0.000 1
477 118 118 TYR CA C 60.433 0.028 1
478 118 118 TYR CB C 37.725 0.000 1
479 118 118 TYR N N 120.611 0.048 1
480 119 119 ARG H H 7.949 0.010 1
481 119 119 ARG C C 175.673 0.000 1
482 119 119 ARG CA C 56.223 0.001 1
483 119 119 ARG CB C 29.832 0.000 1
484 119 119 ARG N N 113.633 0.084 1
485 120 120 SER H H 7.764 0.005 1
486 120 120 SER C C 174.339 0.000 1
487 120 120 SER CA C 57.399 0.003 1
488 120 120 SER CB C 64.546 0.001 1
489 120 120 SER N N 115.943 0.023 1
490 121 121 LYS H H 8.627 0.011 1
491 121 121 LYS C C 179.123 0.000 1
492 121 121 LYS CA C 55.249 0.054 1
493 121 121 LYS CB C 33.592 0.006 1
494 121 121 LYS N N 120.348 0.083 1
495 122 122 ALA H H 8.330 0.010 1
496 122 122 ALA C C 178.715 0.000 1
497 122 122 ALA CA C 55.386 0.000 1
498 122 122 ALA CB C 17.794 0.000 1
499 122 122 ALA N N 123.659 0.086 1
500 123 123 THR H H 7.217 0.006 1
501 123 123 THR C C 178.715 0.000 1
502 123 123 THR CA C 62.141 0.016 1
503 123 123 THR CB C 68.097 0.016 1
504 123 123 THR N N 102.236 0.053 1
505 124 124 GLN H H 7.529 0.014 1
506 124 124 GLN C C 175.984 0.000 1
507 124 124 GLN CA C 54.805 0.012 1
508 124 124 GLN CB C 26.310 0.033 1
509 124 124 GLN N N 123.838 0.089 1
510 125 125 LYS H H 7.807 0.009 1
511 125 125 LYS C C 175.984 0.000 1
512 125 125 LYS CA C 60.298 0.021 1
513 125 125 LYS CB C 32.031 0.047 1
514 125 125 LYS N N 122.557 0.026 1
515 126 126 LEU H H 8.396 0.007 1
516 126 126 LEU C C 177.965 0.000 1
517 126 126 LEU CA C 58.745 0.027 1
518 126 126 LEU CB C 40.182 0.000 1
519 126 126 LEU N N 118.073 0.042 1
520 127 127 ASN H H 7.935 0.012 1
521 127 127 ASN C C 174.753 0.000 1
522 127 127 ASN CA C 55.712 0.008 1
523 127 127 ASN CB C 36.759 0.000 1
524 127 127 ASN N N 113.441 0.200 1
525 128 128 ASN H H 6.768 0.008 1
526 128 128 ASN C C 177.356 0.000 1
527 128 128 ASN CA C 56.636 0.000 1
528 128 128 ASN N N 112.520 0.181 1
529 129 129 ILE H H 7.851 0.008 1
530 129 129 ILE C C 177.356 0.000 1
531 129 129 ILE CA C 65.205 0.023 1
532 129 129 ILE CB C 36.670 0.000 1
533 129 129 ILE N N 119.352 0.026 1
534 130 130 ALA H H 7.687 0.015 1
535 130 130 ALA C C 179.714 0.000 1
536 130 130 ALA CA C 55.522 0.010 1
537 130 130 ALA CB C 17.713 0.000 1
538 130 130 ALA N N 120.703 0.052 1
539 131 131 TYR H H 8.192 0.015 1
540 131 131 TYR CA C 57.578 0.005 1
541 131 131 TYR CB C 36.180 0.000 1
542 131 131 TYR N N 114.240 0.046 1
543 132 132 ALA H H 8.327 0.006 1
544 132 132 ALA C C 180.270 0.000 1
545 132 132 ALA CA C 54.531 0.000 1
546 132 132 ALA CB C 18.351 0.000 1
547 132 132 ALA N N 119.785 0.070 1
548 133 133 LEU H H 8.368 0.013 1
549 133 133 LEU C C 178.754 0.000 1
550 133 133 LEU CA C 58.155 0.000 1
551 133 133 LEU CB C 40.215 0.000 1
552 133 133 LEU N N 117.739 0.045 1
553 134 134 ILE H H 7.783 0.007 1
554 134 134 ILE C C 180.218 0.000 1
555 134 134 ILE CA C 65.460 0.000 1
556 134 134 ILE CB C 37.006 0.000 1
557 134 134 ILE N N 116.891 0.043 1
558 135 135 ILE H H 8.631 0.008 1
559 135 135 ILE C C 178.515 0.000 1
560 135 135 ILE CA C 65.566 0.029 1
561 135 135 ILE CB C 37.537 0.000 1
562 135 135 ILE N N 118.594 0.023 1
563 136 136 GLY H H 8.901 0.008 1
564 136 136 GLY C C 178.515 0.000 1
565 136 136 GLY CA C 47.914 0.021 1
566 136 136 GLY N N 104.369 0.040 1
567 137 137 GLY H H 8.571 0.009 1
568 137 137 GLY C C 175.296 0.000 1
569 137 137 GLY CA C 46.786 0.003 1
570 137 137 GLY N N 107.464 0.021 1
571 138 138 ALA H H 9.183 0.011 1
572 138 138 ALA C C 182.035 0.000 1
573 138 138 ALA CA C 54.623 0.016 1
574 138 138 ALA CB C 18.099 0.000 1
575 138 138 ALA N N 124.088 0.034 1
576 139 139 LEU H H 8.863 0.005 1
577 139 139 LEU C C 178.029 0.000 1
578 139 139 LEU CA C 56.652 0.013 1
579 139 139 LEU CB C 40.219 0.000 1
580 139 139 LEU N N 116.601 0.053 1
581 140 140 GLY H H 8.499 0.017 1
582 140 140 GLY C C 175.796 0.000 1
583 140 140 GLY CA C 48.014 0.003 1
584 140 140 GLY N N 110.362 0.031 1
585 141 141 ASN H H 7.634 0.005 1
586 141 141 ASN C C 177.762 0.000 1
587 141 141 ASN CA C 54.987 0.006 1
588 141 141 ASN CB C 37.209 0.044 1
589 141 141 ASN N N 116.257 0.169 1
590 142 142 LEU H H 7.738 0.014 1
591 142 142 LEU C C 177.813 0.000 1
592 142 142 LEU CA C 58.205 0.026 1
593 142 142 LEU CB C 40.995 0.000 1
594 142 142 LEU N N 121.514 0.065 1
595 143 143 PHE H H 9.035 0.011 1
596 143 143 PHE C C 177.223 0.000 1
597 143 143 PHE CA C 60.349 0.015 1
598 143 143 PHE CB C 37.172 0.040 1
599 143 143 PHE N N 117.465 0.058 1
600 144 144 ASP H H 7.851 0.022 1
601 144 144 ASP C C 177.094 0.000 1
602 144 144 ASP CA C 57.247 0.025 1
603 144 144 ASP CB C 43.224 0.000 1
604 144 144 ASP N N 117.556 0.024 1
605 145 145 ARG H H 7.899 0.010 1
606 145 145 ARG C C 180.836 0.000 1
607 145 145 ARG CA C 58.898 0.036 1
608 145 145 ARG CB C 29.065 0.000 1
609 145 145 ARG N N 117.510 0.030 1
610 146 146 LEU H H 8.532 0.008 1
611 146 146 LEU C C 177.215 0.000 1
612 146 146 LEU CA C 57.241 0.016 1
613 146 146 LEU CB C 41.199 0.000 1
614 146 146 LEU N N 118.797 0.078 1
615 147 147 TRP H H 8.205 0.011 1
616 147 147 TRP C C 177.504 0.000 1
617 147 147 TRP CA C 58.355 0.003 1
618 147 147 TRP CB C 30.034 0.000 1
619 147 147 TRP N N 117.536 0.054 1
620 148 148 HIS H H 8.686 0.011 1
621 148 148 HIS C C 175.514 0.000 1
622 148 148 HIS CA C 57.922 0.018 1
623 148 148 HIS CB C 28.363 0.000 1
624 148 148 HIS N N 110.155 0.073 1
625 149 149 GLY H H 8.437 0.019 1
626 149 149 GLY C C 172.360 0.000 1
627 149 149 GLY CA C 44.638 0.025 1
628 149 149 GLY N N 107.347 0.051 1
629 150 150 PHE H H 7.076 0.006 1
630 150 150 PHE C C 171.575 0.000 1
631 150 150 PHE CA C 54.134 0.012 1
632 150 150 PHE CB C 37.690 0.000 1
633 150 150 PHE N N 114.137 0.027 1
634 151 151 VAL H H 8.227 0.007 1
635 151 151 VAL C C 175.912 0.000 1
636 151 151 VAL CA C 59.611 0.018 1
637 151 151 VAL CB C 33.921 0.019 1
638 151 151 VAL N N 115.893 0.036 1
639 152 152 VAL H H 10.345 0.017 1
640 152 152 VAL C C 175.912 0.000 1
641 152 152 VAL CA C 63.377 0.001 1
642 152 152 VAL CB C 31.247 0.024 1
643 152 152 VAL N N 130.775 0.026 1
644 153 153 ASP H H 8.838 0.009 1
645 153 153 ASP C C 172.617 0.000 1
646 153 153 ASP CA C 53.059 0.012 1
647 153 153 ASP CB C 42.123 0.009 1
648 153 153 ASP N N 125.201 0.040 1
649 154 154 MET H H 7.862 0.014 1
650 154 154 MET C C 173.820 0.000 1
651 154 154 MET CA C 55.718 0.000 1
652 154 154 MET CB C 30.393 0.000 1
653 154 154 MET N N 117.337 0.132 1
654 155 155 ILE H H 9.124 0.011 1
655 155 155 ILE C C 173.399 0.000 1
656 155 155 ILE CA C 62.417 0.009 1
657 155 155 ILE CB C 35.366 0.003 1
658 155 155 ILE N N 124.832 0.025 1
659 156 156 ASP H H 8.426 0.006 1
660 156 156 ASP C C 173.122 0.000 1
661 156 156 ASP CA C 52.355 0.008 1
662 156 156 ASP CB C 43.681 0.027 1
663 156 156 ASP N N 129.910 0.053 1
664 157 157 PHE H H 9.746 0.021 1
665 157 157 PHE C C 173.677 0.000 1
666 157 157 PHE CA C 55.556 0.001 1
667 157 157 PHE CB C 40.967 0.008 1
668 157 157 PHE N N 128.042 0.056 1
669 158 158 TYR H H 7.915 0.006 1
670 158 158 TYR C C 173.677 0.000 1
671 158 158 TYR CA C 54.521 0.002 1
672 158 158 TYR CB C 39.850 0.002 1
673 158 158 TYR N N 122.406 0.057 1
674 159 159 VAL H H 8.601 0.009 1
675 159 159 VAL C C 176.625 0.000 1
676 159 159 VAL CA C 61.320 0.009 1
677 159 159 VAL CB C 33.580 0.003 1
678 159 159 VAL N N 117.566 0.060 1
679 160 160 GLY H H 9.161 0.007 1
680 160 160 GLY C C 174.462 0.000 1
681 160 160 GLY CA C 46.865 0.012 1
682 160 160 GLY N N 117.813 0.126 1
683 161 161 ASP H H 8.730 0.026 1
684 161 161 ASP C C 174.462 0.000 1
685 161 161 ASP CA C 53.829 0.019 1
686 161 161 ASP CB C 40.387 0.038 1
687 161 161 ASP N N 125.192 0.030 1
688 162 162 TRP H H 8.421 0.016 1
689 162 162 TRP C C 174.800 0.000 1
690 162 162 TRP CA C 57.532 0.005 1
691 162 162 TRP CB C 28.735 0.000 1
692 162 162 TRP N N 123.535 0.091 1
693 163 163 HIS H H 8.197 0.006 1
694 163 163 HIS C C 174.800 0.000 1
695 163 163 HIS CA C 53.602 0.014 1
696 163 163 HIS CB C 29.176 0.000 1
697 163 163 HIS N N 123.732 0.060 1
698 164 164 PHE H H 8.319 0.008 1
699 164 164 PHE C C 174.571 0.000 1
700 164 164 PHE CA C 56.569 0.041 1
701 164 164 PHE CB C 38.963 0.000 1
702 164 164 PHE N N 123.200 0.104 1
703 165 165 ALA H H 6.720 0.027 1
704 165 165 ALA C C 176.261 0.000 1
705 165 165 ALA CA C 52.454 0.001 1
706 165 165 ALA CB C 18.718 0.000 1
707 165 165 ALA N N 127.339 0.047 1
708 166 166 THR H H 7.996 0.016 1
709 166 166 THR C C 176.923 0.000 1
710 166 166 THR CA C 63.091 0.004 1
711 166 166 THR CB C 67.815 0.000 1
712 166 166 THR N N 118.795 0.112 1
713 167 167 PHE H H 8.424 0.008 1
714 167 167 PHE C C 175.199 0.000 1
715 167 167 PHE CA C 55.631 0.000 1
716 167 167 PHE CB C 40.722 0.000 1
717 167 167 PHE N N 122.175 0.031 1
718 168 168 ASN H H 8.549 0.022 1
719 168 168 ASN C C 177.225 0.000 1
720 168 168 ASN CA C 52.229 0.020 1
721 168 168 ASN CB C 40.080 0.021 1
722 168 168 ASN N N 118.873 0.045 1
723 169 169 LEU H H 9.579 0.009 1
724 169 169 LEU C C 178.315 0.000 1
725 169 169 LEU CA C 57.748 0.000 1
726 169 169 LEU CB C 39.206 0.040 1
727 169 169 LEU N N 118.791 0.038 1
728 170 170 ALA H H 7.869 0.008 1
729 170 170 ALA C C 180.033 0.000 1
730 170 170 ALA CA C 55.682 0.010 1
731 170 170 ALA CB C 17.124 0.008 1
732 170 170 ALA N N 127.641 0.058 1
733 171 171 ASP H H 9.206 0.009 1
734 171 171 ASP C C 178.739 0.000 1
735 171 171 ASP CA C 57.399 0.041 1
736 171 171 ASP CB C 41.110 0.000 1
737 171 171 ASP N N 116.692 0.056 1
738 172 172 THR H H 7.821 0.009 1
739 172 172 THR C C 175.308 0.000 1
740 172 172 THR CA C 67.323 0.084 1
741 172 172 THR N N 115.856 0.023 1
742 173 173 ALA H H 8.581 0.009 1
743 173 173 ALA C C 175.308 0.000 1
744 173 173 ALA CA C 55.796 0.000 1
745 173 173 ALA CB C 17.169 0.007 1
746 173 173 ALA N N 124.005 0.042 1
747 174 174 ILE H H 8.224 0.010 1
748 174 174 ILE C C 178.794 0.000 1
749 174 174 ILE CA C 65.151 0.000 1
750 174 174 ILE CB C 37.564 0.000 1
751 174 174 ILE N N 116.270 0.072 1
752 175 175 CYS H H 8.041 0.011 1
753 175 175 CYS C C 176.624 0.000 1
754 175 175 CYS CA C 64.381 0.005 1
755 175 175 CYS CB C 26.736 0.000 1
756 175 175 CYS N N 115.419 0.113 1
757 176 176 VAL H H 8.825 0.008 1
758 176 176 VAL C C 176.624 0.000 1
759 176 176 VAL CA C 66.596 0.012 1
760 176 176 VAL CB C 30.268 0.000 1
761 176 176 VAL N N 118.560 0.033 1
762 177 177 GLY H H 8.594 0.006 1
763 177 177 GLY C C 177.590 0.000 1
764 177 177 GLY CA C 48.012 0.009 1
765 177 177 GLY N N 106.150 0.023 1
766 178 178 ALA H H 8.391 0.001 1
767 178 178 ALA C C 174.831 0.000 1
768 178 178 ALA CA C 55.032 0.007 1
769 178 178 ALA CB C 17.145 0.000 1
770 178 178 ALA N N 121.137 0.044 1
771 179 179 ALA H H 8.302 0.003 1
772 179 179 ALA C C 179.208 0.000 1
773 179 179 ALA CA C 54.912 0.015 1
774 179 179 ALA CB C 17.195 0.000 1
775 179 179 ALA N N 118.226 0.035 1
776 180 180 LEU H H 8.223 0.006 1
777 180 180 LEU C C 178.400 0.000 1
778 180 180 LEU CA C 57.783 0.049 1
779 180 180 LEU CB C 40.901 0.000 1
780 180 180 LEU N N 116.290 0.067 1
781 181 181 ILE H H 7.479 0.018 1
782 181 181 ILE C C 178.400 0.000 1
783 181 181 ILE CA C 63.890 0.009 1
784 181 181 ILE CB C 36.673 0.000 1
785 181 181 ILE N N 117.160 0.092 1
786 182 182 VAL H H 7.868 0.003 1
787 182 182 VAL C C 178.635 0.000 1
788 182 182 VAL CA C 66.194 0.026 1
789 182 182 VAL N N 118.759 0.037 1
790 183 183 LEU H H 8.533 0.012 1
791 183 183 LEU C C 178.003 0.000 1
792 183 183 LEU CA C 57.647 0.001 1
793 183 183 LEU CB C 40.934 0.011 1
794 183 183 LEU N N 118.218 0.080 1
795 184 184 GLU H H 7.999 0.009 1
796 184 184 GLU C C 178.658 0.000 1
797 184 184 GLU CA C 58.314 0.013 1
798 184 184 GLU CB C 27.687 0.023 1
799 184 184 GLU N N 116.277 0.139 1
800 185 185 GLY H H 7.959 0.010 1
801 185 185 GLY C C 174.067 0.000 1
802 185 185 GLY CA C 45.738 0.011 1
803 185 185 GLY N N 104.458 0.084 1
804 186 186 PHE H H 7.919 0.028 1
805 186 186 PHE C C 174.067 0.000 1
806 186 186 PHE CA C 58.282 0.077 1
807 186 186 PHE CB C 40.188 0.000 1
808 186 186 PHE N N 116.362 0.145 1
809 187 187 LEU H H 7.547 0.019 1
810 187 187 LEU C C 175.377 0.000 1
811 187 187 LEU CA C 53.623 0.030 1
812 187 187 LEU N N 120.136 0.120 1
813 188 188 PRO C C 176.320 0.000 1
814 188 188 PRO CA C 62.256 0.000 1
815 189 189 SER H H 8.545 0.004 1
816 189 189 SER C C 176.320 0.000 1
817 189 189 SER CA C 58.255 0.020 1
818 189 189 SER CB C 63.319 0.029 1
819 189 189 SER N N 115.211 0.053 1
820 190 190 ARG H H 8.478 0.011 1
821 190 190 ARG C C 175.932 0.000 1
822 190 190 ARG CA C 55.539 0.019 1
823 190 190 ARG CB C 29.928 0.005 1
824 190 190 ARG N N 122.882 0.119 1
825 191 191 ALA H H 8.196 0.006 1
826 191 191 ALA C C 175.640 0.000 1
827 191 191 ALA CA C 52.008 0.001 1
828 191 191 ALA CB C 18.625 0.001 1
829 191 191 ALA N N 124.611 0.063 1
830 192 192 LYS H H 8.169 0.005 1
831 192 192 LYS C C 176.300 0.000 1
832 192 192 LYS CA C 55.803 0.000 1
833 192 192 LYS CB C 32.368 0.000 1
834 192 192 LYS N N 120.637 0.046 1
835 193 193 LYS H H 8.229 0.006 1
836 193 193 LYS C C 175.555 0.000 1
837 193 193 LYS CA C 56.086 0.017 1
838 193 193 LYS N N 123.228 0.016 1
839 194 194 GLN H H 7.913 0.006 1
840 194 194 GLN CA C 57.038 0.036 1
841 194 194 GLN N N 126.612 0.091 1
stop_
save_