data_50346
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Assignment of base 15N and 1H chemical shifts for 5_SL5a
;
_BMRB_accession_number 50346
_BMRB_flat_file_name bmr50346.str
_Entry_type original
_Submission_date 2020-06-23
_Accession_date 2020-06-23
_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 Schwalbe Harald . .
2 Richter Christian . .
3 Schnieders Robbin . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 179
"13C chemical shifts" 261
"15N chemical shifts" 100
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2020-12-18 update BMRB 'update entry citation'
2020-12-10 update author 'update assignments'
2020-07-10 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
50339 'chemical shifts of the 5_SL5B+C'
50340 'chemical shifts of the 5_SL5stem'
50341 'chemical shifts of the 3_s2m'
50342 'chemical shifts of the 3_SL1'
50343 'chemical shifts of the 2_SL3'
50344 'chemical shifts of the 5_SL2+3'
50347 'chemical shifts of the 5_SL4'
50348 'chemical shifts of the PK (Pseudoknot)'
50349 'chemical shifts of the 5_SL1'
50350 'chemical shifts of the 3_SL3base'
50351 'chemical shifts of the 5_SL6'
50352 'chemical shifts of the 5_SL8'
stop_
_Original_release_date 2020-06-23
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 33167030
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wacker Anna . .
2 Weigand Julia E. .
3 Akabayov Sabine R. .
4 Altincekic Nadide . .
5 'Kaur Bains' Jasleen . .
6 Banijamali Elnaz . .
7 Binas Oliver . .
8 Castillo-Martinez Jesus . .
9 Cetiner Erhan . .
10 Ceylan Betul . .
11 Chiu Liang-Yuan . .
12 Davila-Calderon Jesse . .
13 'De Jesus' Vanessa . .
14 Dhamotharan Karthikeyan . .
15 Duchardt-Ferner Elke . .
16 Ferner Jan . .
17 Frydman Lucio . .
18 Furtig Boris . .
19 Gallego Jose . .
20 Grun 'J. Tassilo' . .
21 Hacker Carolin . .
22 Haddad Christina . .
23 Hahnke Martin . .
24 Hengesbach Martin . .
25 Hiller Fabian . .
26 Hohmann Katharina F. .
27 Hymon Daniel . .
28 Jonker Henry . .
29 Keller Heiko . .
30 Knezic Bozana . .
31 Landgraf Tom . .
32 Lohr Frank . .
33 Luo Luke . .
34 Mertinkus Klara R. .
35 Muhs Christina . .
36 Novakovic Mihajlo . .
37 Oxenfarth Andreas . .
38 Palomino-Schatzlein Martina . .
39 Petzold Katja . .
40 Peter Stephen A. .
41 Pyper Dennis J. .
42 Qureshi Nusrat S. .
43 Riad Magdalena . .
44 Richter Christian . .
45 Saxena Krishna . .
46 Schamber Tatjana . .
47 Scherf Tali . .
48 Schlagnitweit Judith . .
49 Schlundt Andreas . .
50 Schnieders Robbin . .
51 Schwalbe Harald . .
52 Simba-Lahuasi Alvaro . .
53 Sreeramulu Sridhar . .
54 Stirnal Elke . .
55 Sudakov Alexey . .
56 Tants Jan-Niklas . .
57 Tolbert Blanton S. .
58 Vogele Jenny . .
59 Weiss Lena . .
60 Wirmer-Bartoschek Julia . .
61 'Wirtz Martin' Maria A. .
62 Wohnert Jens . .
63 Zetzsche Heidi . .
stop_
_Journal_abbreviation 'Nucleic Acids Res.'
_Journal_name_full 'Nucleic acids research'
_Journal_volume 48
_Journal_issue 22
_Journal_ISSN 1362-4962
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 12415
_Page_last 12435
_Year 2020
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly_1
_Saveframe_category molecular_system
_Mol_system_name 5_SL5A
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
5_SL5A $entity_1
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_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class RNA
_Name_common entity_1
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 33
_Mol_residue_sequence
;
GGGCUGCUUACGGUUUCGUC
CGUGUUGCAGCCC
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -1 G 2 188 G 3 189 G 4 190 C 5 191 U
6 192 G 7 193 C 8 194 U 9 195 U 10 196 A
11 197 C 12 198 G 13 199 G 14 200 U 15 201 U
16 202 U 17 203 C 18 204 G 19 205 U 20 206 C
21 207 C 22 208 G 23 209 U 24 210 G 25 211 U
26 212 U 27 213 G 28 214 C 29 215 A 30 216 G
31 217 C 32 218 C 33 1 C
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source_1
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$entity_1 SARS-CoV-2 2697049 Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 transcription . . . . .
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
$entity_1 807 uM [U-15N]
'potassium phosphate' 25 mM 'natural abundance'
KCl 50 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name LOGS
_Version 2.2
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name SPARKY
_Version 3.114
loop_
_Task
'chemical shift assignment'
'peak picking'
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name TOPSPIN
_Version 3.6.2
loop_
_Task
collection
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVIII
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_NOESY-JR[15N]-Amino_1
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY-JR[15N]-Amino
_Sample_label $sample_1
save_
save_HSQC[15N]_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]
_Sample_label $sample_1
save_
save_HSQC[15N]-2J_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-2J
_Sample_label $sample_1
save_
save_HSQC[15N]-2J_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-2J
_Sample_label $sample_1
save_
save_TROSY[15N]_5
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY[15N]
_Sample_label $sample_1
save_
save_HNN-COSY[15N]_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNN-COSY[15N]
_Sample_label $sample_1
save_
save_HSQC[15N]-Amino_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-Amino
_Sample_label $sample_1
save_
save_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_Sample_label $sample_1
save_
save_HNN-COSY[15N]_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HNN-COSY[15N]
_Sample_label $sample_1
save_
save_2D_HSQC_HC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HSQC HC'
_Sample_label $sample_1
save_
save_NOESY[15N]-Imino_11
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY[15N]-Imino
_Sample_label $sample_1
save_
save_NOESY-JR[15N]-Amino_12
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY-JR[15N]-Amino
_Sample_label $sample_1
save_
save_HSQC[15N]_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]
_Sample_label $sample_1
save_
save_HSQC[15N]-2J_14
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-2J
_Sample_label $sample_1
save_
save_HSQC[15N]-2J_15
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-2J
_Sample_label $sample_1
save_
save_TROSY[15N]_16
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY[15N]
_Sample_label $sample_1
save_
save_HNN-COSY[15N]_17
_Saveframe_category NMR_applied_experiment
_Experiment_name HNN-COSY[15N]
_Sample_label $sample_1
save_
save_HSQC[15N]-Amino_18
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC[15N]-Amino
_Sample_label $sample_1
save_
save_TOCSY_19
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_Sample_label $sample_1
save_
save_HNN-COSY[15N]_20
_Saveframe_category NMR_applied_experiment
_Experiment_name HNN-COSY[15N]
_Sample_label $sample_1
save_
save_2D_HSQC_HC_21
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HSQC HC'
_Sample_label $sample_1
save_
save_NOESY[15N]-Imino_22
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY[15N]-Imino
_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' 75 . mM
pH 6.2 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
save_sample_conditions_2
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 75 . mM
pH 6.2 . pH
pressure 1 . atm
temperature 283 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_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_chemical_shifts_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_2
stop_
loop_
_Experiment_label
NOESY-JR[15N]-Amino
HSQC[15N]
HSQC[15N]-2J
TROSY[15N]
HNN-COSY[15N]
HSQC[15N]-Amino
TOCSY
'2D HSQC HC'
NOESY[15N]-Imino
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name 5_SL5A
_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 G H1' H 5.833 0.001 .
2 -1 1 G H8 H 8.144 0.004 .
3 -1 1 G C8 C 139.095 0.000 .
4 -1 1 G N7 N 232.177 0.000 .
5 -1 1 G N9 N 169.075 0.000 .
6 188 2 G H1 H 12.853 0.001 .
7 188 2 G H1' H 5.935 0.004 .
8 188 2 G H8 H 7.556 0.003 .
9 188 2 G C1' C 92.817 0.033 .
10 188 2 G C2' C 75.322 0.000 .
11 188 2 G C3' C 72.820 0.000 .
12 188 2 G C4' C 82.158 0.000 .
13 188 2 G C5' C 66.175 0.000 .
14 188 2 G C8 C 136.787 0.018 .
15 188 2 G N1 N 147.864 0.000 .
16 188 2 G N7 N 234.072 0.000 .
17 188 2 G N9 N 169.815 0.046 .
18 189 3 G H1 H 13.277 0.004 .
19 189 3 G H1' H 5.796 0.004 .
20 189 3 G H8 H 7.255 0.006 .
21 189 3 G C1' C 93.119 0.048 .
22 189 3 G C2' C 75.286 0.000 .
23 189 3 G C3' C 72.753 0.000 .
24 189 3 G C4 C 151.768 0.000 .
25 189 3 G C4' C 81.984 0.000 .
26 189 3 G C5 C 119.292 0.000 .
27 189 3 G C5' C 65.505 0.000 .
28 189 3 G C6 C 161.766 0.000 .
29 189 3 G C8 C 135.973 0.053 .
30 189 3 G N1 N 148.994 0.000 .
31 189 3 G N7 N 234.246 0.000 .
32 189 3 G N9 N 169.310 0.055 .
33 190 4 C H1' H 5.534 0.002 .
34 190 4 C H5 H 5.235 0.002 .
35 190 4 C H6 H 7.585 0.003 .
36 190 4 C H41 H 8.612 0.002 .
37 190 4 C H42 H 6.929 0.003 .
38 190 4 C C1' C 94.074 0.025 .
39 190 4 C C2' C 75.462 0.000 .
40 190 4 C C3' C 72.198 0.000 .
41 190 4 C C4' C 81.823 0.000 .
42 190 4 C C5' C 64.628 0.000 .
43 190 4 C C6 C 140.970 0.030 .
44 190 4 C N1 N 151.070 0.000 .
45 190 4 C N3 N 197.760 0.000 .
46 190 4 C N4 N 98.617 0.013 .
47 191 5 U H1' H 5.547 0.003 .
48 191 5 U H3 H 13.495 0.004 .
49 191 5 U H5 H 5.447 0.004 .
50 191 5 U H6 H 7.819 0.002 .
51 191 5 U C1' C 93.735 0.034 .
52 191 5 U C2' C 75.180 0.000 .
53 191 5 U C3' C 72.398 0.000 .
54 191 5 U C4' C 81.838 0.000 .
55 191 5 U C5 C 103.953 0.000 .
56 191 5 U C5' C 64.848 0.000 .
57 191 5 U C6 C 141.589 0.017 .
58 191 5 U N1 N 145.866 0.004 .
59 191 5 U N3 N 162.202 0.000 .
60 192 6 G H1 H 12.515 0.002 .
61 192 6 G H1' H 5.808 0.004 .
62 192 6 G H8 H 7.780 0.004 .
63 192 6 G C1' C 92.465 0.048 .
64 192 6 G C2' C 75.536 0.000 .
65 192 6 G C3' C 72.542 0.000 .
66 192 6 G C4 C 151.847 0.000 .
67 192 6 G C4' C 81.780 0.000 .
68 192 6 G C5 C 118.725 0.000 .
69 192 6 G C5' C 65.179 0.000 .
70 192 6 G C6 C 161.308 0.000 .
71 192 6 G C8 C 136.436 0.031 .
72 192 6 G N1 N 147.655 0.000 .
73 192 6 G N7 N 234.849 0.000 .
74 192 6 G N9 N 170.051 0.057 .
75 193 7 C H1' H 5.451 0.002 .
76 193 7 C H5 H 5.227 0.003 .
77 193 7 C H6 H 7.446 0.002 .
78 193 7 C H41 H 8.250 0.003 .
79 193 7 C H42 H 6.908 0.006 .
80 193 7 C C1' C 93.790 0.013 .
81 193 7 C C2' C 75.655 0.000 .
82 193 7 C C3' C 72.221 0.000 .
83 193 7 C C4' C 81.852 0.000 .
84 193 7 C C5' C 64.892 0.000 .
85 193 7 C C6 C 140.505 0.015 .
86 193 7 C N1 N 151.335 0.005 .
87 193 7 C N3 N 196.527 0.000 .
88 193 7 C N4 N 98.779 0.006 .
89 194 8 U H1' H 5.623 0.001 .
90 194 8 U H3 H 11.253 0.003 .
91 194 8 U H4' H 4.366 0.000 .
92 194 8 U H5 H 5.586 0.004 .
93 194 8 U H6 H 7.735 0.002 .
94 194 8 U C1' C 94.052 0.041 .
95 194 8 U C2' C 75.686 0.000 .
96 194 8 U C3' C 72.216 0.000 .
97 194 8 U C4' C 82.605 0.054 .
98 194 8 U C5 C 104.722 0.000 .
99 194 8 U C5' C 64.533 0.000 .
100 194 8 U C6 C 141.057 0.028 .
101 194 8 U N1 N 146.206 0.021 .
102 195 9 U H1' H 5.609 0.008 .
103 195 9 U H4' H 4.422 0.001 .
104 195 9 U H5 H 5.608 0.006 .
105 195 9 U H5'' H 4.099 0.000 .
106 195 9 U H6 H 7.799 0.002 .
107 195 9 U C1' C 91.996 0.036 .
108 195 9 U C4' C 83.686 0.019 .
109 195 9 U C5 C 104.667 0.000 .
110 195 9 U C5' C 65.881 0.000 .
111 195 9 U C6 C 142.696 0.017 .
112 195 9 U N1 N 145.555 0.052 .
113 196 10 A H1' H 5.969 0.004 .
114 196 10 A H2 H 7.683 0.002 .
115 196 10 A H8 H 8.388 0.004 .
116 196 10 A C1' C 92.052 0.059 .
117 196 10 A C2 C 153.709 0.017 .
118 196 10 A C4 C 149.929 0.008 .
119 196 10 A C5 C 121.302 0.005 .
120 196 10 A C5' C 65.931 0.000 .
121 196 10 A C6 C 158.159 0.026 .
122 196 10 A C8 C 141.107 0.039 .
123 196 10 A N1 N 223.024 0.002 .
124 196 10 A N3 N 213.817 0.000 .
125 196 10 A N7 N 230.371 0.000 .
126 196 10 A N9 N 170.262 0.000 .
127 197 11 C H1' H 5.509 0.002 .
128 197 11 C H5 H 5.195 0.002 .
129 197 11 C H6 H 7.507 0.005 .
130 197 11 C H41 H 8.217 0.003 .
131 197 11 C H42 H 6.729 0.003 .
132 197 11 C C1' C 93.638 0.042 .
133 197 11 C C2' C 75.514 0.000 .
134 197 11 C C3' C 72.578 0.000 .
135 197 11 C C4' C 81.926 0.000 .
136 197 11 C C5' C 65.491 0.000 .
137 197 11 C C6 C 140.745 0.019 .
138 197 11 C N1 N 150.741 0.018 .
139 197 11 C N3 N 197.342 0.000 .
140 197 11 C N4 N 97.549 0.001 .
141 198 12 G H1 H 12.562 0.003 .
142 198 12 G H1' H 5.724 0.001 .
143 198 12 G H8 H 7.501 0.003 .
144 198 12 G C1' C 92.897 0.018 .
145 198 12 G C2' C 75.129 0.000 .
146 198 12 G C3' C 72.857 0.000 .
147 198 12 G C4' C 81.896 0.000 .
148 198 12 G C5' C 66.068 0.000 .
149 198 12 G C8 C 136.209 0.033 .
150 198 12 G N1 N 147.041 0.000 .
151 198 12 G N7 N 234.790 0.000 .
152 198 12 G N9 N 169.221 0.000 .
153 199 13 G H1 H 13.362 0.004 .
154 199 13 G H1' H 5.741 0.001 .
155 199 13 G H8 H 7.240 0.003 .
156 199 13 G C1' C 93.298 0.018 .
157 199 13 G C2' C 75.581 0.000 .
158 199 13 G C3' C 72.586 0.000 .
159 199 13 G C4 C 151.987 0.000 .
160 199 13 G C4' C 82.101 0.000 .
161 199 13 G C5 C 119.161 0.000 .
162 199 13 G C5' C 65.045 0.000 .
163 199 13 G C6 C 161.922 0.000 .
164 199 13 G C8 C 136.317 0.029 .
165 199 13 G N1 N 148.778 0.000 .
166 199 13 G N7 N 235.371 0.000 .
167 199 13 G N9 N 169.575 0.052 .
168 200 14 U H5 H 5.188 0.005 .
169 200 14 U H6 H 7.525 0.003 .
170 200 14 U C5 C 104.614 0.000 .
171 200 14 U C6 C 142.032 0.000 .
172 200 14 U N1 N 143.955 0.000 .
173 201 15 U H5 H 5.814 0.002 .
174 201 15 U H6 H 7.911 0.002 .
175 201 15 U C1' C 91.936 0.004 .
176 201 15 U C5 C 105.062 0.000 .
177 201 15 U C6 C 143.445 0.022 .
178 201 15 U N1 N 145.080 0.046 .
179 202 16 U H1' H 6.034 0.003 .
180 202 16 U H3' H 4.303 0.001 .
181 202 16 U H4' H 4.384 0.001 .
182 202 16 U H5 H 6.033 0.002 .
183 202 16 U H5' H 4.157 0.001 .
184 202 16 U H5'' H 4.034 0.000 .
185 202 16 U H6 H 7.855 0.003 .
186 202 16 U C1' C 89.193 0.026 .
187 202 16 U C2' C 74.964 0.000 .
188 202 16 U C3' C 77.451 0.024 .
189 202 16 U C4' C 86.579 0.048 .
190 202 16 U C5 C 105.749 0.000 .
191 202 16 U C5' C 67.986 0.009 .
192 202 16 U C6 C 144.348 0.006 .
193 202 16 U N1 N 143.188 0.000 .
194 203 17 C H1' H 5.854 0.003 .
195 203 17 C H2' H 4.052 0.001 .
196 203 17 C H3' H 4.476 0.000 .
197 203 17 C H4' H 3.693 0.000 .
198 203 17 C H5 H 5.927 0.006 .
199 203 17 C H5' H 3.694 0.000 .
200 203 17 C H5'' H 3.221 0.000 .
201 203 17 C H6 H 7.572 0.003 .
202 203 17 C H41 H 7.083 0.001 .
203 203 17 C H42 H 6.605 0.000 .
204 203 17 C C1' C 89.608 0.030 .
205 203 17 C C2' C 77.642 0.013 .
206 203 17 C C3' C 78.948 0.042 .
207 203 17 C C4' C 84.971 0.015 .
208 203 17 C C5 C 98.590 0.000 .
209 203 17 C C5' C 67.812 0.007 .
210 203 17 C C6 C 143.051 0.064 .
211 203 17 C N1 N 150.748 0.000 .
212 203 17 C N4 N 94.546 0.009 .
213 204 18 G H1' H 5.922 0.001 .
214 204 18 G H2' H 5.176 0.000 .
215 204 18 G H4' H 4.431 0.000 .
216 204 18 G H5' H 4.225 0.001 .
217 204 18 G H5'' H 4.184 0.001 .
218 204 18 G H8 H 7.878 0.004 .
219 204 18 G C1' C 92.384 0.066 .
220 204 18 G C2' C 76.853 0.018 .
221 204 18 G C3' C 75.251 0.000 .
222 204 18 G C4 C 153.927 0.000 .
223 204 18 G C4' C 84.824 0.020 .
224 204 18 G C5' C 68.769 0.006 .
225 204 18 G C8 C 141.906 0.030 .
226 204 18 G N7 N 234.250 0.000 .
227 204 18 G N9 N 169.551 0.000 .
228 205 19 U H5 H 5.973 0.002 .
229 205 19 U H6 H 7.895 0.002 .
230 205 19 U C5 C 105.440 0.000 .
231 205 19 U C6 C 143.930 0.000 .
232 205 19 U N1 N 144.461 0.000 .
233 206 20 C H1' H 5.278 0.003 .
234 206 20 C H5 H 5.746 0.003 .
235 206 20 C H6 H 7.798 0.001 .
236 206 20 C H41 H 8.558 0.002 .
237 206 20 C H42 H 7.183 0.003 .
238 206 20 C C1' C 94.085 0.014 .
239 206 20 C C2' C 75.379 0.000 .
240 206 20 C C3' C 72.302 0.000 .
241 206 20 C C4' C 82.231 0.000 .
242 206 20 C C5 C 98.095 0.000 .
243 206 20 C C5' C 64.847 0.000 .
244 206 20 C C6 C 141.686 0.020 .
245 206 20 C N1 N 151.886 0.009 .
246 206 20 C N3 N 198.146 0.000 .
247 206 20 C N4 N 97.994 0.002 .
248 207 21 C H1' H 5.548 0.002 .
249 207 21 C H5 H 5.610 0.002 .
250 207 21 C H6 H 7.798 0.002 .
251 207 21 C H41 H 8.401 0.004 .
252 207 21 C H42 H 6.846 0.003 .
253 207 21 C C1' C 93.863 0.013 .
254 207 21 C C2' C 75.328 0.000 .
255 207 21 C C3' C 72.249 0.000 .
256 207 21 C C4' C 81.793 0.000 .
257 207 21 C C5 C 98.197 0.000 .
258 207 21 C C5' C 64.745 0.000 .
259 207 21 C C6 C 140.977 0.027 .
260 207 21 C N1 N 150.744 0.015 .
261 207 21 C N3 N 196.224 0.000 .
262 207 21 C N4 N 98.024 0.000 .
263 208 22 G H1 H 12.815 0.003 .
264 208 22 G H1' H 5.707 0.002 .
265 208 22 G H8 H 7.508 0.002 .
266 208 22 G C1' C 93.170 0.021 .
267 208 22 G C2' C 75.277 0.000 .
268 208 22 G C3' C 72.838 0.000 .
269 208 22 G C4' C 82.101 0.000 .
270 208 22 G C5' C 65.797 0.000 .
271 208 22 G C8 C 136.263 0.039 .
272 208 22 G N1 N 147.447 0.000 .
273 208 22 G N7 N 235.844 0.000 .
274 208 22 G N9 N 169.124 0.000 .
275 209 23 U H1' H 5.586 0.002 .
276 209 23 U H3 H 13.715 0.004 .
277 209 23 U H5 H 5.069 0.004 .
278 209 23 U H6 H 7.572 0.002 .
279 209 23 U C1' C 93.054 0.041 .
280 209 23 U C2' C 75.595 0.000 .
281 209 23 U C3' C 72.919 0.000 .
282 209 23 U C4' C 82.450 0.000 .
283 209 23 U C5 C 103.198 0.000 .
284 209 23 U C5' C 64.891 0.000 .
285 209 23 U C6 C 141.013 0.017 .
286 209 23 U N1 N 145.563 0.029 .
287 209 23 U N3 N 161.691 0.000 .
288 210 24 G H1' H 5.654 0.004 .
289 210 24 G H4' H 4.465 0.001 .
290 210 24 G H8 H 7.697 0.004 .
291 210 24 G C1' C 91.929 0.042 .
292 210 24 G C2' C 75.601 0.000 .
293 210 24 G C3' C 74.851 0.000 .
294 210 24 G C4 C 152.994 0.000 .
295 210 24 G C4' C 83.640 0.054 .
296 210 24 G C5 C 119.002 0.000 .
297 210 24 G C5' C 66.771 0.000 .
298 210 24 G C6 C 160.715 0.000 .
299 210 24 G C8 C 137.708 0.050 .
300 210 24 G N7 N 237.155 0.000 .
301 210 24 G N9 N 168.880 0.036 .
302 211 25 U H1' H 5.647 0.004 .
303 211 25 U H4' H 4.424 0.001 .
304 211 25 U H5 H 5.392 0.005 .
305 211 25 U H5' H 4.327 0.000 .
306 211 25 U H5'' H 4.077 0.000 .
307 211 25 U H6 H 7.621 0.002 .
308 211 25 U C1' C 91.782 0.049 .
309 211 25 U C2' C 75.588 0.000 .
310 211 25 U C4' C 84.438 0.036 .
311 211 25 U C5 C 104.260 0.000 .
312 211 25 U C5' C 66.596 0.000 .
313 211 25 U C6 C 142.664 0.015 .
314 211 25 U N1 N 144.560 0.012 .
315 212 26 U H1' H 5.575 0.001 .
316 212 26 U H5 H 5.730 0.000 .
317 212 26 U H6 H 7.888 0.001 .
318 212 26 U C1' C 93.669 0.006 .
319 212 26 U C5 C 104.372 0.000 .
320 212 26 U C6 C 143.194 0.001 .
321 212 26 U N1 N 146.781 0.000 .
322 213 27 G H1 H 13.161 0.003 .
323 213 27 G H1' H 5.766 0.004 .
324 213 27 G H8 H 7.853 0.006 .
325 213 27 G C1' C 91.711 0.025 .
326 213 27 G C2' C 75.118 0.000 .
327 213 27 G C3' C 73.992 0.000 .
328 213 27 G C4 C 152.839 0.000 .
329 213 27 G C5 C 118.695 0.000 .
330 213 27 G C6 C 161.886 0.000 .
331 213 27 G C8 C 137.002 0.037 .
332 213 27 G N1 N 148.625 0.000 .
333 213 27 G N7 N 235.616 0.000 .
334 213 27 G N9 N 169.217 0.067 .
335 214 28 C H1' H 5.555 0.003 .
336 214 28 C H5 H 5.319 0.003 .
337 214 28 C H6 H 7.602 0.005 .
338 214 28 C H41 H 8.569 0.003 .
339 214 28 C H42 H 6.859 0.002 .
340 214 28 C C1' C 94.239 0.029 .
341 214 28 C C2' C 75.269 0.000 .
342 214 28 C C3' C 72.540 0.000 .
343 214 28 C C4' C 82.056 0.000 .
344 214 28 C C5 C 97.718 0.000 .
345 214 28 C C5' C 65.794 0.000 .
346 214 28 C C6 C 141.298 0.016 .
347 214 28 C N1 N 150.751 0.000 .
348 214 28 C N3 N 197.339 0.000 .
349 214 28 C N4 N 97.480 0.006 .
350 215 29 A H1' H 5.956 0.004 .
351 215 29 A H2 H 7.007 0.003 .
352 215 29 A H8 H 8.047 0.005 .
353 215 29 A C1' C 92.956 0.025 .
354 215 29 A C2 C 152.408 0.012 .
355 215 29 A C2' C 75.588 0.000 .
356 215 29 A C3' C 72.853 0.000 .
357 215 29 A C4 C 148.992 0.003 .
358 215 29 A C4' C 81.925 0.000 .
359 215 29 A C5 C 121.366 0.015 .
360 215 29 A C5' C 65.430 0.000 .
361 215 29 A C6 C 158.043 0.012 .
362 215 29 A C8 C 139.572 0.028 .
363 215 29 A N1 N 220.929 0.003 .
364 215 29 A N3 N 213.413 0.000 .
365 215 29 A N7 N 230.803 0.000 .
366 215 29 A N9 N 170.613 0.054 .
367 216 30 G H1 H 13.420 0.003 .
368 216 30 G H1' H 5.644 0.003 .
369 216 30 G H8 H 7.322 0.004 .
370 216 30 G C1' C 92.631 0.026 .
371 216 30 G C2' C 75.374 0.000 .
372 216 30 G C3' C 72.650 0.000 .
373 216 30 G C4 C 151.548 0.000 .
374 216 30 G C4' C 81.896 0.000 .
375 216 30 G C5 C 118.916 0.000 .
376 216 30 G C5' C 65.503 0.000 .
377 216 30 G C6 C 161.576 0.000 .
378 216 30 G C8 C 135.778 0.038 .
379 216 30 G N1 N 148.606 0.000 .
380 216 30 G N7 N 234.321 0.000 .
381 216 30 G N9 N 169.353 0.047 .
382 217 31 C H1' H 5.505 0.002 .
383 217 31 C H5 H 5.197 0.001 .
384 217 31 C H6 H 7.628 0.004 .
385 217 31 C H41 H 8.603 0.005 .
386 217 31 C H42 H 6.866 0.004 .
387 217 31 C C1' C 93.963 0.021 .
388 217 31 C C2' C 75.505 0.000 .
389 217 31 C C3' C 72.003 0.000 .
390 217 31 C C4' C 81.793 0.000 .
391 217 31 C C5' C 64.454 0.000 .
392 217 31 C C6 C 140.901 0.020 .
393 217 31 C N1 N 151.150 0.017 .
394 217 31 C N3 N 198.147 0.000 .
395 217 31 C N4 N 99.095 0.001 .
396 218 32 C H1' H 5.531 0.002 .
397 218 32 C H5 H 5.500 0.003 .
398 218 32 C H6 H 7.767 0.004 .
399 218 32 C H41 H 8.527 0.004 .
400 218 32 C H42 H 6.888 0.002 .
401 218 32 C C1' C 94.718 0.021 .
402 218 32 C C2' C 75.616 0.000 .
403 218 32 C C3' C 72.081 0.000 .
404 218 32 C C4' C 82.027 0.000 .
405 218 32 C C5 C 97.823 0.000 .
406 218 32 C C5' C 64.483 0.000 .
407 218 32 C C6 C 141.463 0.022 .
408 218 32 C N1 N 151.411 0.024 .
409 218 32 C N3 N 197.894 0.000 .
410 218 32 C N4 N 98.337 0.001 .
411 1 33 C H1' H 6.115 0.004 .
412 1 33 C H2' H 4.643 0.000 .
413 1 33 C H3' H 4.964 0.002 .
414 1 33 C H4' H 4.432 0.000 .
415 1 33 C H5 H 5.546 0.004 .
416 1 33 C H6 H 7.513 0.004 .
417 1 33 C H41 H 8.439 0.002 .
418 1 33 C H42 H 7.093 0.002 .
419 1 33 C C1' C 92.019 0.070 .
420 1 33 C C2' C 85.201 0.000 .
421 1 33 C C3' C 77.891 0.068 .
422 1 33 C C4' C 85.602 0.054 .
423 1 33 C C5 C 99.184 0.000 .
424 1 33 C C5' C 65.780 0.000 .
425 1 33 C C6 C 141.779 0.020 .
426 1 33 C N1 N 150.370 0.024 .
427 1 33 C N4 N 98.923 0.002 .
stop_
save_
save_assigned_chemical_shifts_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_2
stop_
loop_
_Experiment_label
NOESY-JR[15N]-Amino
HSQC[15N]
HSQC[15N]-2J
TROSY[15N]
HNN-COSY[15N]
HSQC[15N]-Amino
TOCSY
'2D HSQC HC'
NOESY[15N]-Imino
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_2
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name 5_SL5A
_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 G H1 H 12.820 0.009 .
2 -1 1 G C6 C 162.409 0.000 .
3 -1 1 G N1 N 147.345 0.000 .
4 188 2 G H1 H 12.902 0.003 .
5 188 2 G H8 H 7.563 0.000 .
6 188 2 G C2 C 156.437 0.000 .
7 188 2 G C6 C 161.638 0.000 .
8 188 2 G C8 C 136.667 0.000 .
9 188 2 G N1 N 147.799 0.005 .
10 189 3 G H1 H 13.304 0.003 .
11 189 3 G H8 H 7.270 0.000 .
12 189 3 G C2 C 156.950 0.000 .
13 189 3 G C6 C 161.723 0.000 .
14 189 3 G C8 C 135.866 0.004 .
15 189 3 G N1 N 148.927 0.001 .
16 190 4 C H6 H 7.607 0.000 .
17 190 4 C C6 C 140.938 0.000 .
18 190 4 C N3 N 197.435 0.000 .
19 191 5 U H3 H 13.577 0.001 .
20 191 5 U C2 C 152.702 0.000 .
21 191 5 U C4 C 169.608 0.000 .
22 191 5 U C6 C 141.540 0.000 .
23 191 5 U N3 N 162.208 0.008 .
24 192 6 G H1 H 12.539 0.002 .
25 192 6 G H8 H 7.797 0.000 .
26 192 6 G C2 C 156.529 0.000 .
27 192 6 G C6 C 161.324 0.000 .
28 192 6 G C8 C 136.334 0.008 .
29 192 6 G N1 N 147.522 0.004 .
30 193 7 C H6 H 7.460 0.000 .
31 193 7 C H41 H 8.247 0.000 .
32 193 7 C H42 H 7.010 0.000 .
33 193 7 C C6 C 140.406 0.000 .
34 193 7 C N3 N 196.178 0.000 .
35 194 8 U H3 H 11.341 0.001 .
36 194 8 U H6 H 7.750 0.000 .
37 194 8 U C2 C 154.323 0.000 .
38 194 8 U C4 C 167.143 0.000 .
39 194 8 U C6 C 140.946 0.012 .
40 195 9 U H6 H 7.810 0.000 .
41 195 9 U C6 C 142.611 0.000 .
42 196 10 A H2 H 7.658 0.000 .
43 196 10 A H8 H 8.388 0.000 .
44 196 10 A C8 C 140.973 0.000 .
45 196 10 A N1 N 222.709 0.000 .
46 197 11 C H6 H 7.533 0.000 .
47 197 11 C C6 C 140.683 0.000 .
48 197 11 C N3 N 196.996 0.000 .
49 198 12 G H1 H 12.586 0.004 .
50 198 12 G C2 C 155.760 0.000 .
51 198 12 G C6 C 161.305 0.000 .
52 198 12 G C8 C 136.085 0.000 .
53 198 12 G N1 N 146.906 0.007 .
54 199 13 G H1 H 13.423 0.001 .
55 199 13 G H8 H 7.235 0.000 .
56 199 13 G C2 C 156.899 0.000 .
57 199 13 G C6 C 161.963 0.000 .
58 199 13 G C8 C 136.197 0.011 .
59 199 13 G N1 N 148.674 0.001 .
60 201 15 U H6 H 7.941 0.000 .
61 201 15 U C6 C 143.301 0.000 .
62 202 16 U H6 H 7.869 0.000 .
63 202 16 U C6 C 144.349 0.000 .
64 203 17 C H6 H 7.593 0.000 .
65 203 17 C C6 C 143.024 0.000 .
66 204 18 G H8 H 7.883 0.000 .
67 204 18 G C8 C 142.088 0.000 .
68 206 20 C N3 N 197.771 0.000 .
69 207 21 C H6 H 7.807 0.000 .
70 207 21 C C6 C 140.923 0.000 .
71 207 21 C N3 N 195.928 0.000 .
72 208 22 G H1 H 12.849 0.006 .
73 208 22 G C2 C 156.366 0.000 .
74 208 22 G C6 C 161.434 0.000 .
75 208 22 G C8 C 136.184 0.000 .
76 208 22 G N1 N 147.320 0.000 .
77 209 23 U H3 H 13.783 0.003 .
78 209 23 U H6 H 7.588 0.000 .
79 209 23 U C2 C 152.770 0.000 .
80 209 23 U C4 C 168.719 0.000 .
81 209 23 U C6 C 140.991 0.012 .
82 209 23 U N3 N 161.618 0.014 .
83 210 24 G H8 H 7.738 0.000 .
84 210 24 G C8 C 137.711 0.000 .
85 211 25 U H6 H 7.645 0.000 .
86 211 25 U C6 C 142.719 0.000 .
87 212 26 U H6 H 7.908 0.000 .
88 212 26 U C6 C 143.162 0.000 .
89 213 27 G H1 H 13.187 0.007 .
90 213 27 G H8 H 7.849 0.000 .
91 213 27 G C2 C 157.184 0.000 .
92 213 27 G C6 C 161.902 0.000 .
93 213 27 G C8 C 136.805 0.000 .
94 213 27 G N1 N 148.558 0.002 .
95 214 28 C H6 H 7.613 0.000 .
96 214 28 C C6 C 141.267 0.000 .
97 214 28 C N3 N 197.022 0.000 .
98 215 29 A H8 H 8.062 0.000 .
99 215 29 A C8 C 139.470 0.000 .
100 215 29 A N1 N 220.603 0.000 .
101 216 30 G H1 H 13.470 0.002 .
102 216 30 G H8 H 7.356 0.000 .
103 216 30 G C2 C 157.059 0.000 .
104 216 30 G C6 C 161.503 0.000 .
105 216 30 G C8 C 135.700 0.005 .
106 216 30 G N1 N 148.466 0.010 .
107 217 31 C H6 H 7.643 0.000 .
108 217 31 C C6 C 140.792 0.000 .
109 217 31 C N3 N 197.822 0.000 .
110 218 32 C H6 H 7.775 0.000 .
111 218 32 C C6 C 141.408 0.000 .
112 218 32 C N3 N 197.630 0.000 .
113 1 33 C N3 N 196.698 0.000 .
stop_
save_