data_27275
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone assignment of SGTA TPR_C-terminal(deltaQ) domains
;
_BMRB_accession_number 27275
_BMRB_flat_file_name bmr27275.str
_Entry_type original
_Submission_date 2017-10-05
_Accession_date 2017-10-05
_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 'Martinez Lumbreras' Santiago . .
2 Thapaliya Arjun . .
3 Isaacson Rivka L. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 152
"13C chemical shifts" 462
"15N chemical shifts" 152
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2018-08-16 update BMRB 'update entry citation'
2018-06-19 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
27272 'SGTA C-terminal domain'
27276 'SGTA N-terminal domain including linker residues'
stop_
_Original_release_date 2017-10-05
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural complexity of the co-chaperone SGTA: a conserved C-terminal region is implicated in dimerization and substrate quality control
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 29996828
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Martinez-Lumbreras Santiago . .
2 Krysztofinska Ewelina M. .
3 Thapaliya Arjun . .
4 Spilotros Alessandro . .
5 Matak-Vinkovic Dijana . .
6 Salvadori Enrico . .
7 Roboti Peristera . .
8 Nyathi Yvonne . .
9 Muench Janina H. .
10 Roessler Maxie M. .
11 Svergun Dmitri I. .
12 High Stephen . .
13 Isaacson Rivka L. .
stop_
_Journal_abbreviation 'BMC Biol.'
_Journal_name_full 'BMC biology'
_Journal_volume 16
_Journal_issue 1
_Journal_ISSN 1741-7007
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 76
_Page_last 76
_Year 2018
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name SGTA_TRP-NNP
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
SGTA_TPR-NNP $SGTA_TPR-NNP
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_SGTA_TPR-NNP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common SGTA_TPR-NNP
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 192
_Mol_residue_sequence
;
GSEEDSAEAERLKTEGNEQM
KVENFEAAVHFYGKAIELNP
ANAVYFCNRAAAYSKLGNYA
GAVQDCERAICIDPAYSKAY
GRMGLALSSLNKHVEAVAYY
KKALELDPDNETYKSNLKIA
ELKLREAPSPTGGVGSFDIA
GLLNNPGFMSMASNLMNNPQ
IQQLMSGMISGGNNPLGTPG
TSPSQNDLASLI
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 83 GLY 2 84 SER 3 85 GLU 4 86 GLU 5 87 ASP
6 88 SER 7 89 ALA 8 90 GLU 9 91 ALA 10 92 GLU
11 93 ARG 12 94 LEU 13 95 LYS 14 96 THR 15 97 GLU
16 98 GLY 17 99 ASN 18 100 GLU 19 101 GLN 20 102 MET
21 103 LYS 22 104 VAL 23 105 GLU 24 106 ASN 25 107 PHE
26 108 GLU 27 109 ALA 28 110 ALA 29 111 VAL 30 112 HIS
31 113 PHE 32 114 TYR 33 115 GLY 34 116 LYS 35 117 ALA
36 118 ILE 37 119 GLU 38 120 LEU 39 121 ASN 40 122 PRO
41 123 ALA 42 124 ASN 43 125 ALA 44 126 VAL 45 127 TYR
46 128 PHE 47 129 CYS 48 130 ASN 49 131 ARG 50 132 ALA
51 133 ALA 52 134 ALA 53 135 TYR 54 136 SER 55 137 LYS
56 138 LEU 57 139 GLY 58 140 ASN 59 141 TYR 60 142 ALA
61 143 GLY 62 144 ALA 63 145 VAL 64 146 GLN 65 147 ASP
66 148 CYS 67 149 GLU 68 150 ARG 69 151 ALA 70 152 ILE
71 153 CYS 72 154 ILE 73 155 ASP 74 156 PRO 75 157 ALA
76 158 TYR 77 159 SER 78 160 LYS 79 161 ALA 80 162 TYR
81 163 GLY 82 164 ARG 83 165 MET 84 166 GLY 85 167 LEU
86 168 ALA 87 169 LEU 88 170 SER 89 171 SER 90 172 LEU
91 173 ASN 92 174 LYS 93 175 HIS 94 176 VAL 95 177 GLU
96 178 ALA 97 179 VAL 98 180 ALA 99 181 TYR 100 182 TYR
101 183 LYS 102 184 LYS 103 185 ALA 104 186 LEU 105 187 GLU
106 188 LEU 107 189 ASP 108 190 PRO 109 191 ASP 110 192 ASN
111 193 GLU 112 194 THR 113 195 TYR 114 196 LYS 115 197 SER
116 198 ASN 117 199 LEU 118 200 LYS 119 201 ILE 120 202 ALA
121 203 GLU 122 204 LEU 123 205 LYS 124 206 LEU 125 207 ARG
126 208 GLU 127 209 ALA 128 210 PRO 129 211 SER 130 212 PRO
131 213 THR 132 214 GLY 133 215 GLY 134 216 VAL 135 217 GLY
136 218 SER 137 219 PHE 138 220 ASP 139 221 ILE 140 222 ALA
141 223 GLY 142 224 LEU 143 225 LEU 144 226 ASN 145 227 ASN
146 228 PRO 147 229 GLY 148 230 PHE 149 231 MET 150 232 SER
151 233 MET 152 234 ALA 153 235 SER 154 236 ASN 155 237 LEU
156 238 MET 157 239 ASN 158 240 ASN 159 241 PRO 160 242 GLN
161 243 ILE 162 244 GLN 163 245 GLN 164 246 LEU 165 247 MET
166 248 SER 167 249 GLY 168 250 MET 169 251 ILE 170 252 SER
171 253 GLY 172 254 GLY 173 255 ASN 174 256 ASN 175 257 PRO
176 258 LEU 177 259 GLY 178 260 THR 179 261 PRO 180 262 GLY
181 263 THR 182 264 SER 183 265 PRO 184 266 SER 185 267 GLN
186 268 ASN 187 269 ASP 188 270 LEU 189 271 ALA 190 272 SER
191 273 LEU 192 274 ILE
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
$SGTA_TPR-NNP Human 9606 Eukaryota Metazoa Homo sapiens
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
$SGTA_TPR-NNP 'recombinant technology' . Escherichia coli BL21 pET28_Txr_6xH_TEV
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
$SGTA_TPR-NNP 900 uM '[U-100% 13C; U-100% 15N]'
'potassium phosphate' 10 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 250 uM 'natural abundance'
DDM 0.025 % '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_
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_CCPN_Analysis
_Saveframe_category software
_Name CCPN_Analysis
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_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_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_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' 130 . mM
pH 6.0 . 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
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na 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 HNCA'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HNCO'
'3D HN(CA)CO'
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 SGTA_TPR-NNP
_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 84 2 SER C C 176.405 0.000 1
2 84 2 SER CA C 60.480 0.000 1
3 84 2 SER CB C 63.820 0.026 1
4 85 3 GLU H H 9.208 0.002 1
5 85 3 GLU C C 179.101 0.010 1
6 85 3 GLU CA C 59.726 0.000 1
7 85 3 GLU CB C 28.961 0.001 1
8 85 3 GLU N N 123.917 0.042 1
9 86 4 GLU H H 8.517 0.002 1
10 86 4 GLU C C 179.168 0.009 1
11 86 4 GLU CA C 59.887 0.000 1
12 86 4 GLU CB C 28.821 0.030 1
13 86 4 GLU N N 121.552 0.019 1
14 87 5 ASP H H 8.304 0.003 1
15 87 5 ASP C C 178.118 0.028 1
16 87 5 ASP CA C 57.277 0.000 1
17 87 5 ASP CB C 40.109 0.084 1
18 87 5 ASP N N 122.572 0.038 1
19 88 6 SER H H 8.311 0.002 1
20 88 6 SER C C 176.748 0.000 1
21 88 6 SER CA C 61.608 0.030 1
22 88 6 SER CB C 62.915 0.014 1
23 88 6 SER N N 116.094 0.025 1
24 89 7 ALA H H 7.975 0.003 1
25 89 7 ALA C C 180.915 0.025 1
26 89 7 ALA CA C 55.094 0.000 1
27 89 7 ALA CB C 18.018 0.054 1
28 89 7 ALA N N 125.506 0.128 1
29 90 8 GLU H H 8.275 0.002 1
30 90 8 GLU C C 178.449 0.004 1
31 90 8 GLU CA C 58.457 0.000 1
32 90 8 GLU CB C 28.855 0.125 1
33 90 8 GLU N N 122.600 0.111 1
34 91 9 ALA H H 8.641 0.003 1
35 91 9 ALA C C 179.191 0.018 1
36 91 9 ALA CA C 55.819 0.000 1
37 91 9 ALA CB C 18.374 0.008 1
38 91 9 ALA N N 123.523 0.049 1
39 92 10 GLU H H 7.822 0.003 1
40 92 10 GLU C C 179.445 0.065 1
41 92 10 GLU CA C 58.927 0.025 1
42 92 10 GLU CB C 30.095 0.083 1
43 92 10 GLU N N 116.554 0.035 1
44 93 11 ARG H H 7.944 0.002 1
45 93 11 ARG C C 179.794 0.005 1
46 93 11 ARG CA C 60.183 0.000 1
47 93 11 ARG CB C 29.593 0.002 1
48 93 11 ARG N N 124.369 0.069 1
49 94 12 LEU H H 8.376 0.005 1
50 94 12 LEU C C 179.067 0.050 1
51 94 12 LEU CA C 58.121 0.000 1
52 94 12 LEU CB C 41.507 0.003 1
53 94 12 LEU N N 123.231 0.042 1
54 95 13 LYS H H 8.595 0.006 1
55 95 13 LYS C C 178.148 0.037 1
56 95 13 LYS CA C 60.091 0.000 1
57 95 13 LYS CB C 30.001 0.001 1
58 95 13 LYS N N 121.975 0.088 1
59 96 14 THR H H 8.224 0.002 1
60 96 14 THR CA C 67.726 0.000 1
61 96 14 THR N N 118.496 0.006 1
62 97 15 GLU H H 7.894 0.004 1
63 97 15 GLU C C 179.924 0.000 1
64 97 15 GLU CA C 59.220 0.000 1
65 97 15 GLU CB C 27.662 0.054 1
66 97 15 GLU N N 123.081 0.024 1
67 98 16 GLY H H 8.455 0.008 1
68 98 16 GLY C C 174.758 0.007 1
69 98 16 GLY CA C 48.183 0.019 1
70 98 16 GLY N N 108.661 0.067 1
71 99 17 ASN H H 8.781 0.001 1
72 99 17 ASN C C 179.135 0.044 1
73 99 17 ASN CA C 55.731 0.000 1
74 99 17 ASN CB C 37.031 0.013 1
75 99 17 ASN N N 122.031 0.051 1
76 100 18 GLU H H 8.248 0.007 1
77 100 18 GLU C C 179.611 0.048 1
78 100 18 GLU CA C 59.153 0.000 1
79 100 18 GLU CB C 28.805 0.002 1
80 100 18 GLU N N 122.652 0.024 1
81 101 19 GLN H H 7.891 0.005 1
82 101 19 GLN C C 179.055 0.000 1
83 101 19 GLN CA C 57.221 0.000 1
84 101 19 GLN CB C 26.557 0.025 1
85 101 19 GLN N N 119.102 0.053 1
86 102 20 MET H H 8.275 0.003 1
87 102 20 MET C C 180.797 0.024 1
88 102 20 MET CA C 57.545 0.000 1
89 102 20 MET CB C 30.692 0.017 1
90 102 20 MET N N 119.561 0.040 1
91 103 21 LYS H H 7.568 0.002 1
92 103 21 LYS C C 178.276 0.031 1
93 103 21 LYS CA C 59.561 0.000 1
94 103 21 LYS CB C 32.529 0.063 1
95 103 21 LYS N N 120.482 0.025 1
96 104 22 VAL H H 6.985 0.004 1
97 104 22 VAL C C 174.725 0.091 1
98 104 22 VAL CA C 60.540 0.082 1
99 104 22 VAL CB C 30.470 0.001 1
100 104 22 VAL N N 109.120 0.063 1
101 105 23 GLU H H 7.516 0.004 1
102 105 23 GLU C C 174.304 0.067 1
103 105 23 GLU CA C 57.225 0.030 1
104 105 23 GLU CB C 25.239 0.037 1
105 105 23 GLU N N 114.810 0.041 1
106 106 24 ASN H H 7.984 0.003 1
107 106 24 ASN C C 176.033 0.058 1
108 106 24 ASN CA C 50.363 0.000 1
109 106 24 ASN CB C 36.274 0.033 1
110 106 24 ASN N N 118.931 0.060 1
111 107 25 PHE H H 7.064 0.004 1
112 107 25 PHE C C 177.959 0.060 1
113 107 25 PHE CA C 60.526 0.021 1
114 107 25 PHE CB C 38.287 0.035 1
115 107 25 PHE N N 120.912 0.071 1
116 108 26 GLU H H 9.103 0.004 1
117 108 26 GLU C C 179.396 0.029 1
118 108 26 GLU CA C 60.435 0.000 1
119 108 26 GLU CB C 29.107 0.077 1
120 108 26 GLU N N 119.440 0.057 1
121 109 27 ALA H H 7.507 0.002 1
122 109 27 ALA C C 179.806 0.002 1
123 109 27 ALA CA C 54.509 0.002 1
124 109 27 ALA CB C 18.275 0.000 1
125 109 27 ALA N N 122.622 0.057 1
126 110 28 ALA H H 7.968 0.005 1
127 110 28 ALA C C 177.996 0.052 1
128 110 28 ALA CA C 56.488 0.000 1
129 110 28 ALA CB C 18.300 0.025 1
130 110 28 ALA N N 121.146 0.066 1
131 111 29 VAL H H 8.177 0.003 1
132 111 29 VAL C C 178.984 0.000 1
133 111 29 VAL CA C 68.360 0.000 1
134 111 29 VAL CB C 31.872 0.024 1
135 111 29 VAL N N 116.865 0.037 1
136 112 30 HIS H H 7.491 0.005 1
137 112 30 HIS C C 177.999 0.024 1
138 112 30 HIS CA C 59.323 0.051 1
139 112 30 HIS CB C 28.711 0.007 1
140 112 30 HIS N N 120.092 0.077 1
141 113 31 PHE H H 8.143 0.005 1
142 113 31 PHE C C 178.549 0.034 1
143 113 31 PHE CA C 63.337 0.000 1
144 113 31 PHE CB C 43.547 0.045 1
145 113 31 PHE N N 119.773 0.063 1
146 114 32 TYR H H 8.841 0.008 1
147 114 32 TYR C C 178.488 0.033 1
148 114 32 TYR CA C 59.016 0.000 1
149 114 32 TYR CB C 37.460 0.036 1
150 114 32 TYR N N 117.266 0.086 1
151 115 33 GLY H H 8.368 0.003 1
152 115 33 GLY C C 176.615 0.029 1
153 115 33 GLY CA C 47.556 0.000 1
154 115 33 GLY N N 105.830 0.030 1
155 116 34 LYS H H 7.603 0.002 1
156 116 34 LYS C C 178.879 0.098 1
157 116 34 LYS CA C 58.241 0.079 1
158 116 34 LYS CB C 31.932 0.073 1
159 116 34 LYS N N 122.995 0.117 1
160 117 35 ALA H H 7.821 0.002 1
161 117 35 ALA C C 178.615 0.000 1
162 117 35 ALA CA C 55.868 0.041 1
163 117 35 ALA CB C 16.441 0.011 1
164 117 35 ALA N N 124.466 0.072 1
165 118 36 ILE H H 7.847 0.003 1
166 118 36 ILE C C 177.062 0.091 1
167 118 36 ILE CA C 64.721 0.000 1
168 118 36 ILE CB C 39.096 0.121 1
169 118 36 ILE N N 119.187 0.057 1
170 119 37 GLU H H 7.463 0.002 1
171 119 37 GLU C C 178.973 0.084 1
172 119 37 GLU CA C 58.973 0.114 1
173 119 37 GLU CB C 29.973 0.042 1
174 119 37 GLU N N 117.627 0.068 1
175 120 38 LEU H H 7.158 0.005 1
176 120 38 LEU C C 178.062 0.005 1
177 120 38 LEU CA C 56.417 0.095 1
178 120 38 LEU CB C 44.094 0.035 1
179 120 38 LEU N N 117.737 0.079 1
180 121 39 ASN H H 8.322 0.003 1
181 121 39 ASN C C 171.792 0.000 1
182 121 39 ASN CA C 50.919 0.000 1
183 121 39 ASN CB C 38.643 0.000 1
184 121 39 ASN N N 114.973 0.059 1
185 122 40 PRO C C 176.028 0.000 1
186 122 40 PRO CA C 63.854 0.000 1
187 122 40 PRO CB C 31.539 0.000 1
188 123 41 ALA H H 7.585 0.002 1
189 123 41 ALA C C 175.538 0.028 1
190 123 41 ALA CA C 50.628 0.000 1
191 123 41 ALA CB C 18.747 0.045 1
192 123 41 ALA N N 122.617 0.069 1
193 124 42 ASN H H 7.613 0.004 1
194 124 42 ASN C C 175.240 0.037 1
195 124 42 ASN CA C 52.331 0.048 1
196 124 42 ASN CB C 39.391 0.072 1
197 124 42 ASN N N 118.690 0.055 1
198 125 43 ALA H H 9.090 0.002 1
199 125 43 ALA C C 179.074 0.017 1
200 125 43 ALA CA C 55.728 0.012 1
201 125 43 ALA CB C 19.603 0.095 1
202 125 43 ALA N N 128.347 0.078 1
203 126 44 VAL H H 7.770 0.003 1
204 126 44 VAL C C 178.745 0.044 1
205 126 44 VAL CA C 65.529 0.067 1
206 126 44 VAL CB C 31.359 0.017 1
207 126 44 VAL N N 116.843 0.071 1
208 127 45 TYR H H 6.981 0.004 1
209 127 45 TYR C C 178.388 0.010 1
210 127 45 TYR CA C 57.944 0.145 1
211 127 45 TYR CB C 36.517 0.033 1
212 127 45 TYR N N 118.186 0.053 1
213 128 46 PHE H H 6.809 0.005 1
214 128 46 PHE C C 177.498 0.001 1
215 128 46 PHE CA C 62.838 0.084 1
216 128 46 PHE CB C 39.985 0.000 1
217 128 46 PHE N N 116.033 0.040 1
218 129 47 CYS H H 8.136 0.003 1
219 129 47 CYS C C 176.921 0.000 1
220 129 47 CYS CA C 63.166 0.000 1
221 129 47 CYS CB C 27.373 0.015 1
222 129 47 CYS N N 119.776 0.026 1
223 130 48 ASN H H 8.727 0.002 1
224 130 48 ASN C C 177.462 0.034 1
225 130 48 ASN CA C 55.196 0.000 1
226 130 48 ASN CB C 35.178 0.052 1
227 130 48 ASN N N 120.571 0.069 1
228 131 49 ARG H H 7.915 0.004 1
229 131 49 ARG C C 177.619 0.063 1
230 131 49 ARG CA C 61.560 0.000 1
231 131 49 ARG CB C 29.339 0.035 1
232 131 49 ARG N N 123.139 0.049 1
233 132 50 ALA H H 8.574 0.001 1
234 132 50 ALA C C 180.541 0.028 1
235 132 50 ALA CA C 55.842 0.020 1
236 132 50 ALA CB C 19.907 0.015 1
237 132 50 ALA N N 121.613 0.043 1
238 133 51 ALA H H 7.805 0.002 1
239 133 51 ALA C C 180.163 0.081 1
240 133 51 ALA CA C 55.263 0.000 1
241 133 51 ALA CB C 17.771 0.020 1
242 133 51 ALA N N 121.826 0.039 1
243 134 52 ALA H H 7.601 0.001 1
244 134 52 ALA C C 179.246 0.084 1
245 134 52 ALA CA C 55.969 0.073 1
246 134 52 ALA CB C 19.040 0.064 1
247 134 52 ALA N N 123.265 0.033 1
248 135 53 TYR H H 9.172 0.004 1
249 135 53 TYR C C 180.087 0.016 1
250 135 53 TYR CA C 58.875 0.000 1
251 135 53 TYR CB C 36.745 0.101 1
252 135 53 TYR N N 117.181 0.071 1
253 136 54 SER H H 8.414 0.000 1
254 136 54 SER C C 177.095 0.000 1
255 136 54 SER CA C 63.095 0.000 1
256 136 54 SER CB C 63.512 0.000 1
257 136 54 SER N N 116.518 0.033 1
258 137 55 LYS H H 7.317 0.002 1
259 137 55 LYS C C 178.436 0.043 1
260 137 55 LYS CA C 57.192 0.034 1
261 137 55 LYS CB C 30.069 0.025 1
262 137 55 LYS N N 122.483 0.023 1
263 138 56 LEU H H 7.201 0.005 1
264 138 56 LEU C C 177.217 0.011 1
265 138 56 LEU CA C 55.168 0.079 1
266 138 56 LEU CB C 43.248 0.091 1
267 138 56 LEU N N 118.022 0.050 1
268 139 57 GLY H H 7.536 0.003 1
269 139 57 GLY C C 173.317 0.067 1
270 139 57 GLY CA C 44.688 0.021 1
271 139 57 GLY N N 108.306 0.030 1
272 140 58 ASN H H 8.021 0.004 1
273 140 58 ASN C C 175.540 0.045 1
274 140 58 ASN CA C 49.623 0.000 1
275 140 58 ASN CB C 35.804 0.015 1
276 140 58 ASN N N 120.144 0.056 1
277 141 59 TYR H H 7.118 0.003 1
278 141 59 TYR C C 177.732 0.024 1
279 141 59 TYR CA C 60.908 0.094 1
280 141 59 TYR CB C 37.340 0.074 1
281 141 59 TYR N N 122.491 0.042 1
282 142 60 ALA H H 8.893 0.003 1
283 142 60 ALA C C 180.730 0.001 1
284 142 60 ALA CA C 55.290 0.000 1
285 142 60 ALA CB C 17.746 0.079 1
286 142 60 ALA N N 122.071 0.083 1
287 143 61 GLY H H 7.398 0.004 1
288 143 61 GLY C C 176.076 0.075 1
289 143 61 GLY CA C 46.879 0.047 1
290 143 61 GLY N N 107.332 0.106 1
291 144 62 ALA H H 7.560 0.005 1
292 144 62 ALA C C 179.196 0.001 1
293 144 62 ALA CA C 56.080 0.000 1
294 144 62 ALA CB C 18.786 0.002 1
295 144 62 ALA N N 124.377 0.058 1
296 145 63 VAL H H 8.388 0.003 1
297 145 63 VAL C C 175.100 0.000 1
298 145 63 VAL CA C 66.884 0.000 1
299 145 63 VAL CB C 31.816 0.010 1
300 145 63 VAL N N 120.002 0.070 1
301 146 64 GLN H H 7.467 0.002 1
302 146 64 GLN CA C 59.066 0.000 1
303 146 64 GLN CB C 29.144 0.187 1
304 146 64 GLN N N 117.870 0.020 1
305 147 65 ASP H H 7.973 0.004 1
306 147 65 ASP C C 179.641 0.000 1
307 147 65 ASP CA C 57.636 0.000 1
308 147 65 ASP CB C 40.642 0.060 1
309 147 65 ASP N N 122.006 0.038 1
310 148 66 CYS H H 8.556 0.004 1
311 148 66 CYS C C 176.513 0.005 1
312 148 66 CYS CA C 65.833 0.000 1
313 148 66 CYS CB C 27.254 0.062 1
314 148 66 CYS N N 120.049 0.064 1
315 149 67 GLU H H 8.428 0.002 1
316 149 67 GLU C C 179.222 0.012 1
317 149 67 GLU CA C 59.696 0.000 1
318 149 67 GLU CB C 29.320 0.035 1
319 149 67 GLU N N 120.670 0.005 1
320 150 68 ARG H H 7.377 0.002 1
321 150 68 ARG C C 178.281 0.038 1
322 150 68 ARG CA C 58.398 0.000 1
323 150 68 ARG CB C 28.520 0.039 1
324 150 68 ARG N N 119.415 0.037 1
325 151 69 ALA H H 8.034 0.006 1
326 151 69 ALA C C 177.947 0.115 1
327 151 69 ALA CA C 55.756 0.000 1
328 151 69 ALA CB C 19.017 0.060 1
329 151 69 ALA N N 121.078 0.041 1
330 152 70 ILE H H 7.918 0.002 1
331 152 70 ILE C C 177.239 0.004 1
332 152 70 ILE CA C 64.469 0.000 1
333 152 70 ILE CB C 38.551 0.101 1
334 152 70 ILE N N 117.350 0.068 1
335 153 71 CYS H H 7.416 0.001 1
336 153 71 CYS C C 177.118 0.018 1
337 153 71 CYS CA C 62.592 0.000 1
338 153 71 CYS CB C 26.578 0.061 1
339 153 71 CYS N N 117.421 0.025 1
340 154 72 ILE H H 7.618 0.004 1
341 154 72 ILE C C 176.705 0.006 1
342 154 72 ILE CA C 64.539 0.000 1
343 154 72 ILE CB C 39.323 0.101 1
344 154 72 ILE N N 119.961 0.053 1
345 155 73 ASP H H 8.446 0.004 1
346 155 73 ASP C C 173.223 0.000 1
347 155 73 ASP CA C 50.669 0.000 1
348 155 73 ASP CB C 42.067 0.000 1
349 155 73 ASP N N 116.683 0.054 1
350 156 74 PRO C C 178.298 0.000 1
351 156 74 PRO CA C 63.678 0.000 1
352 156 74 PRO CB C 32.838 0.000 1
353 157 75 ALA H H 8.307 0.005 1
354 157 75 ALA C C 176.681 0.000 1
355 157 75 ALA CA C 51.523 0.000 1
356 157 75 ALA CB C 18.774 0.000 1
357 157 75 ALA N N 123.829 0.059 1
358 158 76 TYR H H 7.772 0.002 1
359 158 76 TYR C C 176.300 0.091 1
360 158 76 TYR CA C 56.308 0.052 1
361 158 76 TYR CB C 36.257 0.036 1
362 158 76 TYR N N 122.872 0.058 1
363 159 77 SER H H 8.582 0.004 1
364 159 77 SER C C 176.031 0.006 1
365 159 77 SER CA C 62.507 0.000 1
366 159 77 SER N N 126.390 0.025 1
367 160 78 LYS H H 7.469 0.003 1
368 160 78 LYS C C 178.477 0.028 1
369 160 78 LYS CA C 58.941 0.036 1
370 160 78 LYS CB C 32.896 0.051 1
371 160 78 LYS N N 120.060 0.052 1
372 161 79 ALA H H 7.124 0.004 1
373 161 79 ALA C C 179.047 0.024 1
374 161 79 ALA CA C 55.330 0.137 1
375 161 79 ALA CB C 19.359 0.071 1
376 161 79 ALA N N 119.667 0.020 1
377 162 80 TYR H H 7.133 0.004 1
378 162 80 TYR C C 178.175 0.013 1
379 162 80 TYR CA C 62.167 0.028 1
380 162 80 TYR CB C 37.389 0.058 1
381 162 80 TYR N N 116.643 0.083 1
382 163 81 GLY H H 7.852 0.003 1
383 163 81 GLY CA C 47.420 0.000 1
384 163 81 GLY N N 105.873 0.111 1
385 164 82 ARG H H 8.264 0.003 1
386 164 82 ARG C C 177.767 0.000 1
387 164 82 ARG CA C 58.769 0.005 1
388 164 82 ARG CB C 28.250 0.010 1
389 164 82 ARG N N 121.912 0.115 1
390 165 83 MET H H 7.872 0.004 1
391 165 83 MET C C 178.108 0.043 1
392 165 83 MET CA C 58.631 0.000 1
393 165 83 MET CB C 32.411 0.001 1
394 165 83 MET N N 123.031 0.064 1
395 166 84 GLY H H 7.859 0.004 1
396 166 84 GLY C C 174.551 0.115 1
397 166 84 GLY CA C 47.467 0.000 1
398 166 84 GLY N N 105.999 0.054 1
399 167 85 LEU H H 7.538 0.002 1
400 167 85 LEU C C 180.422 0.000 1
401 167 85 LEU CA C 58.206 0.000 1
402 167 85 LEU CB C 42.736 0.000 1
403 167 85 LEU N N 123.097 0.022 1
404 168 86 ALA H H 8.154 0.002 1
405 168 86 ALA C C 179.008 0.047 1
406 168 86 ALA CA C 55.757 0.000 1
407 168 86 ALA CB C 18.259 0.004 1
408 168 86 ALA N N 124.725 0.056 1
409 169 87 LEU H H 8.485 0.002 1
410 169 87 LEU C C 180.561 0.013 1
411 169 87 LEU CA C 57.831 0.000 1
412 169 87 LEU CB C 41.012 0.021 1
413 169 87 LEU N N 117.574 0.053 1
414 170 88 SER H H 8.706 0.003 1
415 170 88 SER C C 178.450 0.000 1
416 170 88 SER CA C 63.335 0.000 1
417 170 88 SER CB C 62.589 0.000 1
418 170 88 SER N N 118.490 0.105 1
419 171 89 SER H H 7.731 0.001 1
420 171 89 SER C C 174.521 0.000 1
421 171 89 SER CA C 62.436 0.000 1
422 171 89 SER CB C 62.801 0.000 1
423 171 89 SER N N 120.756 0.003 1
424 172 90 LEU H H 7.072 0.006 1
425 172 90 LEU C C 175.428 0.016 1
426 172 90 LEU CA C 54.593 0.000 1
427 172 90 LEU CB C 42.847 0.045 1
428 172 90 LEU N N 121.231 0.095 1
429 173 91 ASN H H 7.837 0.001 1
430 173 91 ASN C C 174.421 0.016 1
431 173 91 ASN CA C 54.499 0.000 1
432 173 91 ASN CB C 36.612 0.071 1
433 173 91 ASN N N 114.394 0.057 1
434 174 92 LYS H H 7.944 0.002 1
435 174 92 LYS C C 176.414 0.029 1
436 174 92 LYS CA C 54.082 0.000 1
437 174 92 LYS CB C 29.932 0.027 1
438 174 92 LYS N N 122.239 0.045 1
439 175 93 HIS H H 6.884 0.003 1
440 175 93 HIS C C 177.871 0.018 1
441 175 93 HIS CA C 60.498 0.030 1
442 175 93 HIS CB C 31.151 0.063 1
443 175 93 HIS N N 118.734 0.037 1
444 176 94 VAL H H 8.364 0.006 1
445 176 94 VAL C C 178.812 0.028 1
446 176 94 VAL CA C 66.646 0.000 1
447 176 94 VAL CB C 31.674 0.016 1
448 176 94 VAL N N 119.805 0.035 1
449 177 95 GLU H H 8.840 0.001 1
450 177 95 GLU C C 178.635 0.000 1
451 177 95 GLU CA C 60.123 0.000 1
452 177 95 GLU CB C 29.466 0.013 1
453 177 95 GLU N N 122.020 0.062 1
454 178 96 ALA H H 8.343 0.004 1
455 178 96 ALA C C 179.263 0.022 1
456 178 96 ALA CA C 55.963 0.000 1
457 178 96 ALA CB C 19.285 0.022 1
458 178 96 ALA N N 121.259 0.044 1
459 179 97 VAL H H 7.910 0.007 1
460 179 97 VAL C C 177.018 0.006 1
461 179 97 VAL CA C 68.133 0.019 1
462 179 97 VAL CB C 31.863 0.013 1
463 179 97 VAL N N 115.864 0.025 1
464 180 98 ALA H H 7.306 0.002 1
465 180 98 ALA C C 181.182 0.019 1
466 180 98 ALA CA C 55.327 0.000 1
467 180 98 ALA CB C 18.008 0.128 1
468 180 98 ALA N N 120.245 0.020 1
469 181 99 TYR H H 7.665 0.003 1
470 181 99 TYR C C 178.377 0.003 1
471 181 99 TYR CA C 64.386 0.001 1
472 181 99 TYR CB C 37.149 0.044 1
473 181 99 TYR N N 117.741 0.040 1
474 182 100 TYR H H 8.636 0.007 1
475 182 100 TYR C C 178.963 0.015 1
476 182 100 TYR CA C 61.140 0.000 1
477 182 100 TYR CB C 38.993 0.008 1
478 182 100 TYR N N 119.430 0.057 1
479 183 101 LYS H H 8.616 0.005 1
480 183 101 LYS C C 179.406 0.046 1
481 183 101 LYS CA C 60.574 0.026 1
482 183 101 LYS CB C 32.287 0.003 1
483 183 101 LYS N N 118.408 0.041 1
484 184 102 LYS H H 7.408 0.003 1
485 184 102 LYS C C 178.064 0.006 1
486 184 102 LYS CA C 57.757 0.108 1
487 184 102 LYS CB C 30.774 0.156 1
488 184 102 LYS N N 121.124 0.084 1
489 185 103 ALA H H 8.109 0.006 1
490 185 103 ALA C C 179.187 0.110 1
491 185 103 ALA CA C 55.895 0.000 1
492 185 103 ALA CB C 17.168 0.000 1
493 185 103 ALA N N 121.694 0.052 1
494 186 104 LEU H H 7.770 0.004 1
495 186 104 LEU C C 178.835 0.007 1
496 186 104 LEU CA C 56.484 0.000 1
497 186 104 LEU CB C 42.883 0.038 1
498 186 104 LEU N N 116.487 0.059 1
499 187 105 GLU H H 7.780 0.005 1
500 187 105 GLU C C 179.006 0.031 1
501 187 105 GLU CA C 59.206 0.020 1
502 187 105 GLU CB C 29.897 0.155 1
503 187 105 GLU N N 120.438 0.106 1
504 188 106 LEU H H 7.202 0.006 1
505 188 106 LEU C C 177.116 0.017 1
506 188 106 LEU CA C 55.791 0.007 1
507 188 106 LEU CB C 43.997 0.098 1
508 188 106 LEU N N 117.044 0.081 1
509 189 107 ASP H H 8.199 0.002 1
510 189 107 ASP C C 176.142 0.000 1
511 189 107 ASP CA C 51.698 0.000 1
512 189 107 ASP CB C 40.941 0.000 1
513 189 107 ASP N N 121.162 0.038 1
514 190 108 PRO C C 179.321 0.000 1
515 190 108 PRO CA C 64.895 0.000 1
516 190 108 PRO CB C 32.840 0.000 1
517 191 109 ASP H H 8.309 0.003 1
518 191 109 ASP C C 175.829 0.000 1
519 191 109 ASP CA C 53.667 0.000 1
520 191 109 ASP CB C 40.803 0.000 1
521 191 109 ASP N N 116.235 0.137 1
522 192 110 ASN H H 7.254 0.002 1
523 192 110 ASN C C 175.700 0.028 1
524 192 110 ASN CA C 54.398 0.045 1
525 192 110 ASN CB C 38.883 0.028 1
526 192 110 ASN N N 120.137 0.021 1
527 193 111 GLU H H 8.842 0.003 1
528 193 111 GLU C C 179.007 0.047 1
529 193 111 GLU CA C 59.152 0.084 1
530 193 111 GLU CB C 29.599 0.081 1
531 193 111 GLU N N 129.090 0.075 1
532 194 112 THR H H 8.044 0.003 1
533 194 112 THR C C 176.785 0.000 1
534 194 112 THR CA C 66.562 0.000 1
535 194 112 THR CB C 68.040 0.002 1
536 194 112 THR N N 118.912 0.033 1
537 195 113 TYR H H 7.662 0.002 1
538 195 113 TYR C C 178.401 0.020 1
539 195 113 TYR CA C 57.607 0.000 1
540 195 113 TYR CB C 35.574 0.155 1
541 195 113 TYR N N 121.944 0.037 1
542 196 114 LYS H H 7.901 0.002 1
543 196 114 LYS C C 179.390 0.056 1
544 196 114 LYS CA C 60.687 0.029 1
545 196 114 LYS CB C 32.877 0.048 1
546 196 114 LYS N N 119.329 0.026 1
547 197 115 SER H H 8.178 0.003 1
548 197 115 SER CA C 61.584 0.000 1
549 197 115 SER CB C 62.858 0.000 1
550 197 115 SER N N 115.778 0.047 1
551 198 116 ASN H H 8.255 0.003 1
552 198 116 ASN C C 177.755 0.000 1
553 198 116 ASN CA C 55.803 0.000 1
554 198 116 ASN CB C 37.595 0.016 1
555 198 116 ASN N N 120.684 0.006 1
556 199 117 LEU H H 8.002 0.003 1
557 199 117 LEU C C 176.952 0.062 1
558 199 117 LEU CA C 58.703 0.000 1
559 199 117 LEU CB C 41.246 0.016 1
560 199 117 LEU N N 122.957 0.021 1
561 200 118 LYS H H 7.413 0.001 1
562 200 118 LYS C C 179.498 0.000 1
563 200 118 LYS CA C 59.349 0.023 1
564 200 118 LYS CB C 31.763 0.076 1
565 200 118 LYS N N 118.939 0.015 1
566 201 119 ILE H H 7.589 0.003 1
567 201 119 ILE C C 178.003 0.041 1
568 201 119 ILE CA C 65.193 0.024 1
569 201 119 ILE CB C 38.307 0.032 1
570 201 119 ILE N N 118.975 0.039 1
571 202 120 ALA H H 7.776 0.007 1
572 202 120 ALA C C 179.924 0.003 1
573 202 120 ALA CA C 55.386 0.000 1
574 202 120 ALA CB C 18.885 0.016 1
575 202 120 ALA N N 123.663 0.090 1
576 203 121 GLU H H 8.658 0.003 1
577 203 121 GLU C C 180.144 0.056 1
578 203 121 GLU CA C 60.072 0.000 1
579 203 121 GLU CB C 29.894 0.034 1
580 203 121 GLU N N 117.097 0.039 1
581 204 122 LEU H H 7.823 0.003 1
582 204 122 LEU C C 180.008 0.080 1
583 204 122 LEU CA C 58.027 0.099 1
584 204 122 LEU CB C 41.709 0.086 1
585 204 122 LEU N N 121.110 0.076 1
586 205 123 LYS H H 7.828 0.003 1
587 205 123 LYS C C 179.177 0.071 1
588 205 123 LYS CA C 57.639 0.000 1
589 205 123 LYS CB C 31.220 0.061 1
590 205 123 LYS N N 119.825 0.046 1
591 206 124 LEU H H 7.582 0.003 1
592 206 124 LEU C C 178.235 0.031 1
593 206 124 LEU CA C 56.793 0.000 1
594 206 124 LEU CB C 41.946 0.055 1
595 206 124 LEU N N 118.632 0.069 1
596 207 125 ARG H H 7.551 0.001 1
597 207 125 ARG C C 176.939 0.100 1
598 207 125 ARG CA C 56.981 0.000 1
599 207 125 ARG CB C 30.604 0.035 1
600 207 125 ARG N N 118.402 0.020 1
601 208 126 GLU H H 7.712 0.002 1
602 208 126 GLU C C 175.992 0.008 1
603 208 126 GLU CA C 56.516 0.000 1
604 208 126 GLU CB C 30.224 0.108 1
605 208 126 GLU N N 119.527 0.049 1
606 209 127 ALA H H 8.010 0.002 1
607 209 127 ALA C C 175.281 0.000 1
608 209 127 ALA CA C 50.795 0.000 1
609 209 127 ALA CB C 18.227 0.000 1
610 209 127 ALA N N 126.357 0.012 1
611 210 128 PRO C C 176.950 0.013 1
612 210 128 PRO CA C 63.010 0.000 1
613 210 128 PRO CB C 32.061 0.032 1
614 211 129 SER H H 8.448 0.002 1
615 211 129 SER C C 173.478 0.000 1
616 211 129 SER CA C 56.450 0.000 1
617 211 129 SER CB C 63.654 0.000 1
618 211 129 SER N N 118.021 0.022 1
619 212 130 PRO C C 177.497 0.035 1
620 212 130 PRO CA C 63.630 0.041 1
621 212 130 PRO CB C 32.108 0.003 1
622 213 131 THR H H 8.209 0.003 1
623 213 131 THR C C 175.365 0.002 1
624 213 131 THR CA C 62.140 0.022 1
625 213 131 THR CB C 69.892 0.008 1
626 213 131 THR N N 113.703 0.019 1
627 214 132 GLY H H 8.333 0.004 1
628 214 132 GLY C C 174.639 0.018 1
629 214 132 GLY CA C 45.670 0.037 1
630 214 132 GLY N N 111.617 0.016 1
631 215 133 GLY H H 8.270 0.002 1
632 215 133 GLY C C 174.298 0.000 1
633 215 133 GLY CA C 45.574 0.000 1
634 215 133 GLY N N 109.225 0.022 1
635 216 134 VAL H H 8.149 0.002 1
636 216 134 VAL C C 176.841 0.017 1
637 216 134 VAL CA C 62.809 0.000 1
638 216 134 VAL CB C 32.541 0.001 1
639 216 134 VAL N N 119.746 0.009 1
640 217 135 GLY H H 8.561 0.002 1
641 217 135 GLY C C 174.030 0.013 1
642 217 135 GLY CA C 45.325 0.000 1
643 217 135 GLY N N 113.153 0.044 1
644 218 136 SER H H 8.093 0.004 1
645 218 136 SER C C 174.056 0.000 1
646 218 136 SER CA C 58.354 0.000 1
647 218 136 SER CB C 64.104 0.000 1
648 218 136 SER N N 115.989 0.008 1
649 222 140 ALA C C 179.044 0.000 1
650 222 140 ALA CA C 53.938 0.000 1
651 222 140 ALA CB C 18.479 0.000 1
652 223 141 GLY H H 8.128 0.012 1
653 223 141 GLY C C 174.971 0.000 1
654 223 141 GLY CA C 45.986 0.000 1
655 223 141 GLY N N 107.145 0.155 1
656 229 147 GLY H H 8.468 0.000 1
657 229 147 GLY N N 108.499 0.000 1
658 234 152 ALA C C 176.881 0.003 1
659 234 152 ALA CA C 52.551 0.000 1
660 234 152 ALA CB C 19.323 0.000 1
661 235 153 SER H H 7.868 0.001 1
662 235 153 SER CA C 59.993 0.000 1
663 235 153 SER CB C 65.139 0.000 1
664 235 153 SER N N 121.642 0.039 1
665 249 167 GLY H H 8.144 0.000 1
666 249 167 GLY N N 109.527 0.000 1
667 253 171 GLY H H 8.347 0.000 1
668 253 171 GLY C C 174.519 0.000 1
669 253 171 GLY CA C 45.342 0.000 1
670 253 171 GLY N N 111.477 0.069 1
671 254 172 GLY H H 8.266 0.002 1
672 254 172 GLY C C 173.907 0.010 1
673 254 172 GLY CA C 45.396 0.000 1
674 254 172 GLY N N 109.157 0.057 1
675 255 173 ASN H H 8.317 0.008 1
676 255 173 ASN C C 174.547 0.003 1
677 255 173 ASN CA C 53.105 0.000 1
678 255 173 ASN CB C 39.078 0.011 1
679 255 173 ASN N N 118.881 0.097 1
680 256 174 ASN H H 8.407 0.002 1
681 256 174 ASN C C 173.652 0.000 1
682 256 174 ASN CA C 51.468 0.000 1
683 256 174 ASN CB C 39.068 0.000 1
684 256 174 ASN N N 120.338 0.041 1
685 257 175 PRO C C 177.157 0.000 1
686 257 175 PRO CA C 63.767 0.000 1
687 257 175 PRO CB C 31.982 0.000 1
688 258 176 LEU H H 8.268 0.002 1
689 258 176 LEU C C 177.952 0.037 1
690 258 176 LEU CA C 55.260 0.000 1
691 258 176 LEU CB C 42.110 0.016 1
692 258 176 LEU N N 121.145 0.060 1
693 259 177 GLY H H 8.144 0.003 1
694 259 177 GLY C C 173.864 0.023 1
695 259 177 GLY CA C 45.267 0.000 1
696 259 177 GLY N N 109.366 0.017 1
697 260 178 THR H H 8.060 0.002 1
698 260 178 THR C C 173.165 0.000 1
699 260 178 THR CA C 59.876 0.000 1
700 260 178 THR CB C 69.881 0.000 1
701 260 178 THR N N 116.637 0.064 1
702 261 179 PRO C C 177.592 0.031 1
703 261 179 PRO CA C 63.746 0.000 1
704 261 179 PRO CB C 32.051 0.000 1
705 262 180 GLY H H 8.522 0.002 1
706 262 180 GLY C C 174.372 0.009 1
707 262 180 GLY CA C 45.342 0.000 1
708 262 180 GLY N N 109.967 0.019 1
709 263 181 THR H H 8.006 0.002 1
710 263 181 THR C C 174.523 0.012 1
711 263 181 THR CA C 61.663 0.000 1
712 263 181 THR CB C 70.301 0.009 1
713 263 181 THR N N 113.735 0.010 1
714 264 182 SER H H 8.430 0.004 1
715 264 182 SER C C 172.838 0.000 1
716 264 182 SER CA C 56.542 0.000 1
717 264 182 SER CB C 63.611 0.000 1
718 264 182 SER N N 120.295 0.027 1
719 265 183 PRO C C 177.100 0.000 1
720 265 183 PRO CA C 63.546 0.000 1
721 265 183 PRO CB C 32.082 0.000 1
722 266 184 SER H H 8.441 0.004 1
723 266 184 SER C C 174.869 0.040 1
724 266 184 SER CA C 58.603 0.000 1
725 266 184 SER CB C 64.080 0.053 1
726 266 184 SER N N 116.585 0.013 1
727 267 185 GLN H H 8.434 0.002 1
728 267 185 GLN C C 175.985 0.016 1
729 267 185 GLN CA C 56.289 0.000 1
730 267 185 GLN CB C 29.291 0.008 1
731 267 185 GLN N N 122.710 0.010 1
732 268 186 ASN H H 8.394 0.005 1
733 268 186 ASN C C 175.122 0.005 1
734 268 186 ASN CA C 53.684 0.000 1
735 268 186 ASN CB C 38.987 0.019 1
736 268 186 ASN N N 119.925 0.033 1
737 269 187 ASP H H 8.285 0.005 1
738 269 187 ASP C C 176.665 0.034 1
739 269 187 ASP CA C 54.783 0.000 1
740 269 187 ASP CB C 41.118 0.007 1
741 269 187 ASP N N 121.401 0.028 1
742 270 188 LEU H H 8.134 0.001 1
743 270 188 LEU C C 177.729 0.030 1
744 270 188 LEU CA C 55.797 0.000 1
745 270 188 LEU CB C 42.067 0.094 1
746 270 188 LEU N N 122.773 0.036 1
747 271 189 ALA H H 8.156 0.002 1
748 271 189 ALA C C 177.989 0.008 1
749 271 189 ALA CA C 52.946 0.000 1
750 271 189 ALA CB C 18.911 0.013 1
751 271 189 ALA N N 123.928 0.019 1
752 272 190 SER H H 8.037 0.002 1
753 272 190 SER C C 174.614 0.152 1
754 272 190 SER CA C 58.716 0.012 1
755 272 190 SER CB C 63.929 0.011 1
756 272 190 SER N N 114.490 0.038 1
757 273 191 LEU H H 8.149 0.002 1
758 273 191 LEU C C 176.413 0.035 1
759 273 191 LEU CA C 55.510 0.000 1
760 273 191 LEU CB C 42.403 0.005 1
761 273 191 LEU N N 125.021 0.021 1
762 274 192 ILE H H 7.521 0.001 1
763 274 192 ILE C C 181.045 0.000 1
764 274 192 ILE CA C 63.028 0.000 1
765 274 192 ILE CB C 39.858 0.000 1
766 274 192 ILE N N 125.135 0.009 1
stop_
save_