data_26588
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone chemical shifts of Roquin ROQ domain in complex with a Selex-derived stem-hexa-loop RNA motif
;
_BMRB_accession_number 26588
_BMRB_flat_file_name bmr26588.str
_Entry_type original
_Submission_date 2015-06-16
_Accession_date 2015-06-16
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Backbone chemical shifts of Roquin ROQ domain in complex with a Selex-derived stem-hexa-loop RNA motif'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Schlundt Andreas . .
2 Sattler Michael . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 145
"15N chemical shifts" 130
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-10-04 original BMRB .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
26587 'ROQ-Ox40hexa-loop RNA'
stop_
_Original_release_date 2016-10-04
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27010430
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Janowski Robert . .
2 Heinz Gitta A. .
3 Schlundt Andreas . .
4 Wommelsdorf Nina . .
5 Brenner Sven . .
6 Gruber Andreas R. .
7 Blank Michael . .
8 Buch Thorsten . .
9 Buhmann Raymund . .
10 Zavolan Mihaela . .
11 Niessing Dierk . .
12 Heissmeyer Vigo . .
13 Sattler Michael . .
stop_
_Journal_abbreviation 'Nat. Comm.'
_Journal_volume 7
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 11032
_Page_last 11032
_Year 2016
_Details .
loop_
_Keyword
ROQ
Roquin
'hexa-loop RNA'
'mRNA regulation'
stem-loops
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'ROQ-SELEX consensus hexa-loop RNA'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Roquin ROQ domain' $Roquin_ROQ_domain
'SELEX consensus hexa-loop RNA' $hexa_loop_RNA
stop_
_System_molecular_weight 24159.4
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details '1:1 complex of ROQ domain and hexa-loop RNA'
save_
########################
# Monomeric polymers #
########################
save_Roquin_ROQ_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Roquin_ROQ_domain
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details 'some assignments missing'
##############################
# Polymer residue sequence #
##############################
_Residue_count 156
_Mol_residue_sequence
;
LQHQNPQQLSSNLWAAVRAR
GCQFLGPAMQEEALKLVLLA
LEDGSALSRKVLVLFVVQRL
EPRFPQASKTSIGHVVQLLY
RASCFKVTKRDEDSSLMQLK
EEFRTYEALRREHDSQIVQI
AMEAGLRIAPDQWSSLLYGD
QSHKSHMQSIIDKLQT
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 171 LEU 2 172 GLN 3 173 HIS 4 174 GLN 5 175 ASN
6 176 PRO 7 177 GLN 8 178 GLN 9 179 LEU 10 180 SER
11 181 SER 12 182 ASN 13 183 LEU 14 184 TRP 15 185 ALA
16 186 ALA 17 187 VAL 18 188 ARG 19 189 ALA 20 190 ARG
21 191 GLY 22 192 CYS 23 193 GLN 24 194 PHE 25 195 LEU
26 196 GLY 27 197 PRO 28 198 ALA 29 199 MET 30 200 GLN
31 201 GLU 32 202 GLU 33 203 ALA 34 204 LEU 35 205 LYS
36 206 LEU 37 207 VAL 38 208 LEU 39 209 LEU 40 210 ALA
41 211 LEU 42 212 GLU 43 213 ASP 44 214 GLY 45 215 SER
46 216 ALA 47 217 LEU 48 218 SER 49 219 ARG 50 220 LYS
51 221 VAL 52 222 LEU 53 223 VAL 54 224 LEU 55 225 PHE
56 226 VAL 57 227 VAL 58 228 GLN 59 229 ARG 60 230 LEU
61 231 GLU 62 232 PRO 63 233 ARG 64 234 PHE 65 235 PRO
66 236 GLN 67 237 ALA 68 238 SER 69 239 LYS 70 240 THR
71 241 SER 72 242 ILE 73 243 GLY 74 244 HIS 75 245 VAL
76 246 VAL 77 247 GLN 78 248 LEU 79 249 LEU 80 250 TYR
81 251 ARG 82 252 ALA 83 253 SER 84 254 CYS 85 255 PHE
86 256 LYS 87 257 VAL 88 258 THR 89 259 LYS 90 260 ARG
91 261 ASP 92 262 GLU 93 263 ASP 94 264 SER 95 265 SER
96 266 LEU 97 267 MET 98 268 GLN 99 269 LEU 100 270 LYS
101 271 GLU 102 272 GLU 103 273 PHE 104 274 ARG 105 275 THR
106 276 TYR 107 277 GLU 108 278 ALA 109 279 LEU 110 280 ARG
111 281 ARG 112 282 GLU 113 283 HIS 114 284 ASP 115 285 SER
116 286 GLN 117 287 ILE 118 288 VAL 119 289 GLN 120 290 ILE
121 291 ALA 122 292 MET 123 293 GLU 124 294 ALA 125 295 GLY
126 296 LEU 127 297 ARG 128 298 ILE 129 299 ALA 130 300 PRO
131 301 ASP 132 302 GLN 133 303 TRP 134 304 SER 135 305 SER
136 306 LEU 137 307 LEU 138 308 TYR 139 309 GLY 140 310 ASP
141 311 GLN 142 312 SER 143 313 HIS 144 314 LYS 145 315 SER
146 316 HIS 147 317 MET 148 318 GLN 149 319 SER 150 320 ILE
151 321 ILE 152 322 ASP 153 323 LYS 154 324 LEU 155 325 GLN
156 326 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_hexa_loop_RNA
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class RNA
_Name_common hexa_loop_RNA
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
_Residue_count 20
_Mol_residue_sequence
;
UGACUGCGUUUUAGGAGUUA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 U 2 2 G 3 3 A 4 4 C 5 5 U
6 6 G 7 7 C 8 8 G 9 9 U 10 10 U
11 11 U 12 12 U 13 13 A 14 14 G 15 15 G
16 16 A 17 17 G 18 18 U 19 19 U 20 20 A
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
$Roquin_ROQ_domain 'house mouse' 10090 Eukaryota Metazoa Mus musculus
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
$Roquin_ROQ_domain 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pETTrx1a
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
$Roquin_ROQ_domain 0.20 mM '[U-100% 15N]'
D2O 10 % '[U-100% 2H]'
$hexa_loop_RNA 0.22 mM 'natural abundance'
TRIS 20 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
TCEP 4 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CCPNMR_Analysis
_Saveframe_category software
_Name CCPNMR_Analysis
_Version 2.4.0
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 600
_Details Cryoprobe
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details Cryoprobe
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_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.15 . M
pH 6.5 . 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 H 1 'methyl protons' ppm 0.00 na direct . . . 1
urea N 15 nitrogen ppm 0.00 na direct . . . 0.251449530
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'
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 'Roquin ROQ domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 171 1 LEU H H 8.254 0.000 1
2 171 1 LEU N N 120.224 0.000 1
3 177 7 GLN H H 8.256 0.000 1
4 177 7 GLN N N 118.412 0.000 1
5 178 8 GLN H H 7.953 0.000 1
6 178 8 GLN N N 120.461 0.000 1
7 179 9 LEU H H 7.821 0.000 1
8 179 9 LEU N N 120.524 0.000 1
9 180 10 SER H H 7.933 0.000 1
10 180 10 SER N N 112.537 0.000 1
11 181 11 SER H H 7.650 0.000 1
12 181 11 SER N N 115.576 0.000 1
13 182 12 ASN H H 8.138 0.000 1
14 182 12 ASN N N 120.250 0.000 1
15 183 13 LEU H H 8.009 0.000 1
16 183 13 LEU N N 123.170 0.000 1
17 184 14 TRP H H 8.135 0.000 1
18 184 14 TRP HE1 H 10.181 0.000 1
19 184 14 TRP N N 117.305 0.000 1
20 184 14 TRP NE1 N 128.720 0.000 1
21 185 15 ALA H H 7.969 0.000 1
22 185 15 ALA N N 120.663 0.000 1
23 186 16 ALA H H 7.706 0.000 1
24 186 16 ALA N N 122.265 0.000 1
25 187 17 VAL H H 8.136 0.000 1
26 187 17 VAL N N 118.860 0.000 1
27 188 18 ARG H H 8.520 0.000 1
28 188 18 ARG N N 120.328 0.000 1
29 189 19 ALA H H 8.117 0.000 1
30 189 19 ALA N N 122.257 0.000 1
31 190 20 ARG H H 7.075 0.000 1
32 190 20 ARG N N 114.675 0.000 1
33 191 21 GLY H H 8.125 0.000 1
34 191 21 GLY N N 109.422 0.000 1
35 192 22 CYS H H 6.992 0.000 1
36 192 22 CYS N N 113.098 0.000 1
37 193 23 GLN H H 6.407 0.000 1
38 193 23 GLN N N 115.056 0.000 1
39 194 24 PHE H H 8.066 0.000 1
40 194 24 PHE N N 120.581 0.000 1
41 195 25 LEU H H 8.372 0.000 1
42 195 25 LEU N N 127.682 0.000 1
43 198 28 ALA H H 8.065 0.000 1
44 198 28 ALA N N 119.289 0.000 1
45 199 29 MET H H 8.245 0.000 1
46 199 29 MET N N 118.235 0.000 1
47 200 30 GLN H H 8.358 0.000 1
48 200 30 GLN N N 118.155 0.000 1
49 201 31 GLU H H 7.117 0.000 1
50 201 31 GLU N N 115.072 0.000 1
51 202 32 GLU H H 7.514 0.000 1
52 202 32 GLU N N 116.306 0.000 1
53 203 33 ALA H H 8.472 0.000 1
54 203 33 ALA N N 120.166 0.000 1
55 204 34 LEU H H 8.171 0.000 1
56 204 34 LEU N N 116.335 0.000 1
57 205 35 LYS H H 8.391 0.000 1
58 206 36 LEU H H 7.841 0.000 1
59 206 36 LEU N N 121.803 0.000 1
60 207 37 VAL H H 8.027 0.000 1
61 207 37 VAL N N 121.719 0.000 1
62 208 38 LEU H H 7.702 0.000 1
63 208 38 LEU N N 117.485 0.000 1
64 209 39 LEU H H 8.071 0.000 1
65 209 39 LEU N N 119.922 0.000 1
66 210 40 ALA H H 7.576 0.000 1
67 210 40 ALA N N 118.484 0.000 1
68 211 41 LEU H H 7.305 0.000 1
69 211 41 LEU N N 111.111 0.000 1
70 212 42 GLU H H 9.520 0.000 1
71 212 42 GLU N N 124.461 0.000 1
72 213 43 ASP H H 8.235 0.000 1
73 213 43 ASP N N 117.257 0.000 1
74 214 44 GLY H H 8.012 0.000 1
75 214 44 GLY N N 106.660 0.000 1
76 215 45 SER H H 7.991 0.000 1
77 215 45 SER N N 118.262 0.000 1
78 216 46 ALA H H 8.211 0.000 1
79 216 46 ALA N N 124.374 0.000 1
80 217 47 LEU H H 8.224 0.000 1
81 217 47 LEU N N 121.529 0.000 1
82 218 48 SER H H 8.440 0.000 1
83 218 48 SER N N 117.841 0.000 1
84 219 49 ARG H H 9.088 0.000 1
85 220 50 LYS H H 8.691 0.000 1
86 221 51 VAL H H 7.349 0.000 1
87 222 52 LEU H H 8.588 0.000 1
88 223 53 VAL H H 8.719 0.000 1
89 223 53 VAL N N 116.540 0.000 1
90 224 54 LEU H H 7.666 0.000 1
91 226 56 VAL H H 7.854 0.000 1
92 226 56 VAL N N 117.327 0.000 1
93 227 57 VAL H H 9.005 0.000 1
94 227 57 VAL N N 119.063 0.000 1
95 228 58 GLN H H 8.366 0.000 1
96 228 58 GLN N N 114.852 0.000 1
97 229 59 ARG H H 6.901 0.000 1
98 229 59 ARG N N 114.920 0.000 1
99 230 60 LEU H H 8.256 0.000 1
100 230 60 LEU N N 121.661 0.000 1
101 231 61 GLU H H 8.045 0.000 1
102 231 61 GLU N N 120.044 0.000 1
103 233 63 ARG H H 7.205 0.000 1
104 233 63 ARG N N 112.815 0.000 1
105 234 64 PHE H H 8.213 0.000 1
106 234 64 PHE N N 117.652 0.000 1
107 236 66 GLN H H 9.008 0.000 1
108 236 66 GLN N N 115.639 0.000 1
109 237 67 ALA H H 8.173 0.000 1
110 237 67 ALA N N 125.189 0.000 1
111 238 68 SER H H 7.415 0.000 1
112 238 68 SER N N 114.236 0.000 1
113 239 69 LYS H H 9.174 0.000 1
114 239 69 LYS N N 120.868 0.000 1
115 240 70 THR H H 9.046 0.000 1
116 240 70 THR N N 118.173 0.000 1
117 241 71 SER H H 8.155 0.000 1
118 241 71 SER N N 118.783 0.000 1
119 242 72 ILE H H 8.225 0.000 1
120 242 72 ILE N N 120.511 0.000 1
121 243 73 GLY H H 8.443 0.000 1
122 243 73 GLY N N 110.888 0.000 1
123 245 75 VAL H H 7.659 0.000 1
124 245 75 VAL N N 122.246 0.000 1
125 246 76 VAL H H 8.310 0.000 1
126 246 76 VAL N N 119.268 0.000 1
127 247 77 GLN H H 8.127 0.000 1
128 247 77 GLN N N 119.020 0.000 1
129 248 78 LEU H H 7.590 0.000 1
130 248 78 LEU N N 121.930 0.000 1
131 249 79 LEU H H 7.195 0.000 1
132 249 79 LEU N N 115.398 0.000 1
133 250 80 TYR H H 8.446 0.000 1
134 251 81 ARG H H 9.123 0.000 1
135 252 82 ALA H H 7.254 0.000 1
136 252 82 ALA N N 116.781 0.000 1
137 253 83 SER H H 7.753 0.000 1
138 254 84 CYS H H 7.663 0.000 1
139 255 85 PHE H H 8.501 0.000 1
140 255 85 PHE N N 113.631 0.000 1
141 256 86 LYS H H 9.405 0.000 1
142 256 86 LYS N N 121.854 0.000 1
143 257 87 VAL H H 8.967 0.000 1
144 257 87 VAL N N 130.762 0.000 1
145 258 88 THR H H 9.089 0.000 1
146 258 88 THR N N 125.560 0.000 1
147 259 89 LYS H H 8.635 0.000 1
148 259 89 LYS N N 127.082 0.000 1
149 260 90 ARG H H 8.708 0.000 1
150 261 91 ASP H H 8.346 0.000 1
151 261 91 ASP N N 121.125 0.000 1
152 262 92 GLU H H 8.715 0.000 1
153 263 93 ASP H H 7.516 0.000 1
154 264 94 SER H H 9.211 0.000 1
155 265 95 SER H H 7.647 0.000 1
156 265 95 SER N N 119.738 0.000 1
157 266 96 LEU H H 8.447 0.000 1
158 267 97 MET H H 8.588 0.000 1
159 267 97 MET N N 118.134 0.000 1
160 268 98 GLN H H 8.264 0.000 1
161 268 98 GLN N N 118.605 0.000 1
162 269 99 LEU H H 9.763 0.000 1
163 269 99 LEU N N 126.220 0.000 1
164 270 100 LYS H H 8.616 0.000 1
165 270 100 LYS N N 126.929 0.000 1
166 271 101 GLU H H 9.197 0.000 1
167 271 101 GLU N N 122.576 0.000 1
168 272 102 GLU H H 9.694 0.000 1
169 272 102 GLU N N 116.370 0.000 1
170 273 103 PHE H H 7.809 0.000 1
171 273 103 PHE N N 118.851 0.000 1
172 274 104 ARG H H 6.980 0.000 1
173 274 104 ARG N N 114.510 0.000 1
174 275 105 THR H H 7.315 0.000 1
175 275 105 THR N N 107.747 0.000 1
176 276 106 TYR H H 9.405 0.000 1
177 276 106 TYR N N 123.922 0.000 1
178 277 107 GLU H H 9.143 0.000 1
179 277 107 GLU N N 116.773 0.000 1
180 278 108 ALA H H 7.285 0.000 1
181 278 108 ALA N N 119.733 0.000 1
182 279 109 LEU H H 8.183 0.000 1
183 279 109 LEU N N 120.330 0.000 1
184 280 110 ARG H H 9.102 0.000 1
185 280 110 ARG N N 116.754 0.000 1
186 281 111 ARG H H 7.567 0.000 1
187 281 111 ARG N N 119.163 0.000 1
188 282 112 GLU H H 7.322 0.000 1
189 282 112 GLU N N 118.842 0.000 1
190 283 113 HIS H H 8.006 0.000 1
191 283 113 HIS N N 118.439 0.000 1
192 284 114 ASP H H 8.990 0.000 1
193 284 114 ASP N N 119.268 0.000 1
194 285 115 SER H H 8.184 0.000 1
195 285 115 SER N N 112.598 0.000 1
196 286 116 GLN H H 7.710 0.000 1
197 286 116 GLN N N 119.415 0.000 1
198 287 117 ILE H H 7.246 0.000 1
199 287 117 ILE N N 117.998 0.000 1
200 288 118 VAL H H 7.534 0.000 1
201 288 118 VAL N N 119.080 0.000 1
202 289 119 GLN H H 8.490 0.000 1
203 289 119 GLN N N 120.186 0.000 1
204 290 120 ILE H H 8.229 0.000 1
205 290 120 ILE N N 120.848 0.000 1
206 291 121 ALA H H 8.255 0.000 1
207 291 121 ALA N N 122.363 0.000 1
208 292 122 MET H H 8.944 0.000 1
209 292 122 MET N N 117.809 0.000 1
210 293 123 GLU H H 8.507 0.000 1
211 293 123 GLU N N 122.129 0.000 1
212 294 124 ALA H H 7.590 0.000 1
213 294 124 ALA N N 119.771 0.000 1
214 295 125 GLY H H 7.786 0.000 1
215 295 125 GLY N N 106.778 0.000 1
216 296 126 LEU H H 8.152 0.000 1
217 296 126 LEU N N 120.387 0.000 1
218 297 127 ARG H H 8.471 0.000 1
219 297 127 ARG N N 125.799 0.000 1
220 298 128 ILE H H 8.447 0.000 1
221 298 128 ILE N N 127.076 0.000 1
222 299 129 ALA H H 8.571 0.000 1
223 299 129 ALA N N 130.608 0.000 1
224 301 131 ASP H H 8.935 0.000 1
225 301 131 ASP N N 115.264 0.000 1
226 302 132 GLN H H 7.353 0.000 1
227 302 132 GLN N N 122.897 0.000 1
228 303 133 TRP H H 8.710 0.000 1
229 303 133 TRP HE1 H 9.520 0.000 1
230 303 133 TRP N N 118.921 0.000 1
231 303 133 TRP NE1 N 129.545 0.000 1
232 304 134 SER H H 8.068 0.000 1
233 304 134 SER N N 110.637 0.000 1
234 305 135 SER H H 7.742 0.000 1
235 305 135 SER N N 115.388 0.000 1
236 306 136 LEU H H 8.628 0.000 1
237 306 136 LEU N N 121.190 0.000 1
238 307 137 LEU H H 8.339 0.000 1
239 307 137 LEU N N 111.203 0.000 1
240 308 138 TYR H H 8.337 0.000 1
241 308 138 TYR N N 112.515 0.000 1
242 309 139 GLY H H 8.089 0.000 1
243 309 139 GLY N N 109.406 0.000 1
244 310 140 ASP H H 7.591 0.000 1
245 310 140 ASP N N 115.940 0.000 1
246 312 142 SER H H 8.594 0.000 1
247 312 142 SER N N 116.637 0.000 1
248 313 143 HIS H H 7.626 0.000 1
249 313 143 HIS N N 117.822 0.000 1
250 314 144 LYS H H 7.570 0.000 1
251 314 144 LYS N N 122.268 0.000 1
252 315 145 SER H H 7.569 0.000 1
253 315 145 SER N N 119.341 0.000 1
254 316 146 HIS H H 7.944 0.000 1
255 316 146 HIS N N 123.517 0.000 1
256 317 147 MET H H 8.027 0.000 1
257 317 147 MET N N 115.172 0.000 1
258 318 148 GLN H H 8.718 0.000 1
259 318 148 GLN N N 120.793 0.000 1
260 319 149 SER H H 7.974 0.000 1
261 319 149 SER N N 113.920 0.000 1
262 320 150 ILE H H 7.131 0.000 1
263 320 150 ILE N N 122.446 0.000 1
264 321 151 ILE H H 7.965 0.000 1
265 321 151 ILE N N 120.915 0.000 1
266 322 152 ASP H H 8.605 0.000 1
267 322 152 ASP N N 118.815 0.000 1
268 323 153 LYS H H 7.296 0.000 1
269 323 153 LYS N N 118.231 0.000 1
270 324 154 LEU H H 7.459 0.000 1
271 324 154 LEU N N 118.584 0.000 1
272 325 155 GLN H H 7.707 0.000 1
273 325 155 GLN N N 118.421 0.000 1
274 326 156 THR H H 7.570 0.000 1
275 326 156 THR N N 120.470 0.000 1
stop_
save_