data_5962
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical shifts assignments of domain 5 of the ai5gamma group II intron
;
_BMRB_accession_number 5962
_BMRB_flat_file_name bmr5962.str
_Entry_type original
_Submission_date 2003-10-01
_Accession_date 2003-10-01
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sigel Roland 'K. O.' .
2 Sashital Dipali G. .
3 Abramowitz Dana L. .
4 Palmer Arthur G. III
5 Butcher Samuel E. .
6 Pyle 'Anna Marie' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 272
"13C chemical shifts" 97
"15N chemical shifts" 41
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2004-03-07 original author .
stop_
_Original_release_date 2004-03-07
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of domain 5 of a group II intron ribozyme reveals a new
RNA motif
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 14745440
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sigel Roland 'K. O.' .
2 Sashital Dipali G. .
3 Abramowitz Dana L. .
4 Palmer Arthur G. III
5 Butcher Samuel E. .
6 Pyle 'Anna Marie' . .
stop_
_Journal_abbreviation 'Nat. Struct. Mol. Biol.'
_Journal_volume 11
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 187
_Page_last 192
_Year 2004
_Details .
loop_
_Keyword
bulge
hairpin
magnesium
'metal ion'
RNA
stop_
save_
##################################
# Molecular system description #
##################################
save_D5_of_ai5g
_Saveframe_category molecular_system
_Mol_system_name 'wildtype domain 5 of the ai5gamma group II intron'
_Abbreviation_common 'D5 of ai5g'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'wildtype domain 5 hairpin' $D5
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'catalytic domain of a self-splicing group II intron ribozyme'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_D5
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class RNA
_Name_common 'Domain 5'
_Abbreviation_common D5
_Molecular_mass 12297
_Mol_thiol_state 'not present'
_Details
;
catalytic domain of the ai5g group II intron ribozyme, wildtype sequence
contains catalytic AGC triad, as well as bulge with essential base & backbone
functionalities, additional GC bp at helix end
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 36
_Mol_residue_sequence
;
GGAGCCGUAUGCGAUGAAAG
UCGCACGUACGGUUCC
;
loop_
_Residue_seq_code
_Residue_label
1 G 2 G 3 A 4 G 5 C
6 C 7 G 8 U 9 A 10 U
11 G 12 C 13 G 14 A 15 U
16 G 17 A 18 A 19 A 20 G
21 U 22 C 23 G 24 C 25 A
26 C 27 G 28 U 29 A 30 C
31 G 32 G 33 U 34 U 35 C
36 C
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
_Organelle
_Gene_mnemonic
_Details
$D5 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae mitochondria cox1 'ai5gamma group II intron'
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
_Details
$D5 'cell free synthesis' . . . . . 'in vitro transcription from double stranded DNA template by T7 RNA polymerase'
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$D5 . mM 0.4 0.7 '[U-13C; U-15N]'
KCl 100 mM . . .
Edta 10 micM . . .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Task
processing
stop_
_Details BRUKER
save_
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version 3
loop_
_Task
'data analysis'
stop_
_Details
;
ref-33, Goddard, T.G. & Kneller, D.G. SPARKY 3,
University of California,
San Francisco
;
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H,1H_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H,1H NOESY'
_Sample_label $sample_1
save_
save_3D-13C_separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D-13C separated NOESY'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C-1H_HCCH_TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C-1H HCCH TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C-1H_HCCH_COSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C-1H HCCH COSY'
_Sample_label $sample_1
save_
save_2D_2JHN_HNN-COSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 2JHN HNN-COSY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.11 . mM
pH 6.7 0.1 n/a
pressure 1 . atm
temperature 303 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
TSP C 13 methyl ppm 0.00 internal indirect cylindrical internal parallel 0.251449530 $entry_citation $entry_citation
TSP H 1 methyl ppm 0.00 internal indirect cylindrical internal parallel 1.0 $entry_citation $entry_citation
TSP N 15 methyl ppm 0.00 internal indirect cylindrical internal parallel 0.101329118 $entry_citation $entry_citation
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'wildtype domain 5 hairpin'
_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 G H1' H 5.81 0.005 1
2 . 1 G H2' H 4.928 0.005 1
3 . 1 G H3' H 4.542 0.005 1
4 . 1 G H4' H 4.536 0.005 1
5 . 1 G H8 H 8.186 0.005 1
6 . 1 G N1 N 146.7 0.05 1
7 . 1 G C8 C 139.1 0.05 1
8 . 1 G C1' C 89.41 0.05 1
9 . 1 G C2' C 77.45 0.05 1
10 . 1 G C3' C 75.9 0.05 1
11 . 1 G C4' C 85.49 0.05 1
12 . 1 G C5' C 67.87 0.05 1
13 . 2 G H1' H 5.896 0.005 1
14 . 2 G H2' H 4.644 0.005 1
15 . 2 G H3' H 4.667 0.005 1
16 . 2 G H4' H 4.55 0.005 1
17 . 2 G H5'' H 4.231 0.005 1
18 . 2 G H1 H 12.5 0.005 1
19 . 2 G H8 H 7.564 0.005 1
20 . 2 G H21 H 7.933 0.005 1
21 . 2 G H22 H 5.827 0.005 1
22 . 2 G N1 N 146.5 0.05 1
23 . 2 G C8 C 137 0.05 1
24 . 3 A H1' H 6.033 0.005 1
25 . 3 A H2' H 4.628 0.005 1
26 . 3 A H3' H 4.66 0.005 1
27 . 3 A H4' H 4.526 0.005 1
28 . 3 A H5' H 4.509 0.005 1
29 . 3 A H2 H 7.362 0.005 1
30 . 3 A H8 H 7.858 0.005 1
31 . 3 A H61 H 7.924 0.005 1
32 . 3 A H62 H 6.604 0.005 1
33 . 3 A N1 N 221.5 0.05 1
34 . 3 A N3 N 213.2 0.05 1
35 . 3 A C2 C 153 0.05 1
36 . 3 A C8 C 137.8 0.05 1
37 . 3 A C2' C 76.12 0.05 1
38 . 3 A C3' C 73.3 0.05 1
39 . 3 A C4' C 82.39 0.05 1
40 . 3 A C5' C 65.8 0.05 1
41 . 4 G H1' H 5.655 0.005 1
42 . 4 G H2' H 4.565 0.005 1
43 . 4 G H3' H 4.206 0.005 1
44 . 4 G H4' H 4.474 0.005 1
45 . 4 G H5' H 4.367 0.005 1
46 . 4 G H5'' H 4.012 0.005 1
47 . 4 G H1 H 11.72 0.005 1
48 . 4 G H8 H 7.038 0.005 1
49 . 4 G N1 N 145.1 0.05 1
50 . 4 G C8 C 136.3 0.05 1
51 . 5 C H1' H 5.515 0.005 1
52 . 5 C H2' H 4.313 0.005 1
53 . 5 C H3' H 4.45 0.005 1
54 . 5 C H5 H 5.263 0.005 1
55 . 5 C H6 H 7.664 0.005 1
56 . 5 C H41 H 8.431 0.005 1
57 . 5 C H42 H 7.039 0.005 1
58 . 5 C N3 N 197.4 0.05 1
59 . 5 C C5 C 97.12 0.05 1
60 . 5 C C6 C 141.6 0.05 1
61 . 6 C H1' H 5.509 0.005 1
62 . 6 C H2' H 4.6 0.005 1
63 . 6 C H3' H 4.411 0.005 1
64 . 6 C H5 H 5.48 0.005 1
65 . 6 C H6 H 7.687 0.005 1
66 . 6 C H41 H 8.37 0.005 1
67 . 6 C H42 H 6.833 0.005 1
68 . 6 C N3 N 196.1 0.05 1
69 . 6 C C5 C 97.76 0.05 1
70 . 6 C C6 C 140.9 0.05 1
71 . 7 G H1' H 5.694 0.005 1
72 . 7 G H2' H 4.477 0.005 1
73 . 7 G H3' H 4.503 0.005 1
74 . 7 G H5'' H 4.087 0.005 1
75 . 7 G H1 H 12.81 0.005 1
76 . 7 G H8 H 7.536 0.005 1
77 . 7 G H22 H 5.946 0.005 1
78 . 7 G N1 N 147 0.05 1
79 . 7 G C8 C 136.2 0.05 1
80 . 8 U H1' H 5.533 0.005 1
81 . 8 U H2' H 4.545 0.005 1
82 . 8 U H3' H 4.576 0.005 1
83 . 8 U H4' H 4.431 0.005 1
84 . 8 U H5'' H 4.079 0.005 1
85 . 8 U H3 H 13.55 0.005 1
86 . 8 U H5 H 5.103 0.005 1
87 . 8 U H6 H 7.726 0.005 1
88 . 8 U N3 N 159.7 0.05 1
89 . 8 U C5 C 102.8 0.05 1
90 . 8 U C6 C 141.5 0.05 1
91 . 9 A H1' H 6.01 0.005 1
92 . 9 A H2' H 4.509 0.005 1
93 . 9 A H3' H 4.568 0.005 1
94 . 9 A H4' H 4.524 0.005 1
95 . 9 A H5' H 4.446 0.005 1
96 . 9 A H5'' H 4.155 0.005 1
97 . 9 A H2 H 7.274 0.005 1
98 . 9 A H8 H 8.046 0.005 1
99 . 9 A H62 H 6.484 0.005 1
100 . 9 A N1 N 223 0.05 1
101 . 9 A N3 N 213.7 0.05 1
102 . 9 A C2 C 153.8 0.05 1
103 . 9 A C8 C 139.8 0.05 1
104 . 9 A C1' C 92.71 0.05 1
105 . 9 A C2' C 75.83 0.05 1
106 . 9 A C3' C 73.17 0.05 1
107 . 9 A C4' C 82.55 0.05 1
108 . 9 A C5' C 65.61 0.05 1
109 . 10 U H1' H 5.52 0.005 1
110 . 10 U H2' H 4.247 0.005 1
111 . 10 U H3' H 4.577 0.005 1
112 . 10 U H5'' H 4.091 0.005 1
113 . 10 U H5 H 5.386 0.005 1
114 . 10 U H6 H 7.519 0.005 1
115 . 10 U C5 C 104.1 0.05 1
116 . 10 U C6 C 141.3 0.05 1
117 . 11 G H1' H 5.71 0.005 1
118 . 11 G H2' H 4.6 0.005 1
119 . 11 G H3' H 4.454 0.005 1
120 . 11 G H1 H 12.52 0.005 1
121 . 11 G H8 H 7.848 0.005 1
122 . 11 G N1 N 147.5 0.05 1
123 . 11 G C8 C 139 0.05 1
124 . 12 C H1' H 5.479 0.005 1
125 . 12 C H2' H 4.561 0.005 1
126 . 12 C H3' H 4.472 0.005 1
127 . 12 C H5' H 4.415 0.005 1
128 . 12 C H5'' H 4.106 0.005 1
129 . 12 C H5 H 5.182 0.005 1
130 . 12 C H6 H 7.627 0.005 1
131 . 12 C H41 H 8.336 0.005 1
132 . 12 C H42 H 6.669 0.005 1
133 . 12 C N3 N 196.6 0.05 1
134 . 12 C C5 C 97.19 0.05 1
135 . 12 C C6 C 140.9 0.05 1
136 . 13 G H1' H 5.665 0.005 1
137 . 13 G H2' H 4.59 0.005 1
138 . 13 G H3' H 4.105 0.005 1
139 . 13 G H5' H 4.408 0.005 1
140 . 13 G H5'' H 4.134 0.005 1
141 . 13 G H1 H 12 0.005 1
142 . 13 G H8 H 7.469 0.005 1
143 . 13 G H21 H 7.591 0.005 1
144 . 13 G H22 H 5.75 0.005 1
145 . 13 G N1 N 145.9 0.05 1
146 . 13 G C8 C 136.2 0.05 1
147 . 14 A H1' H 5.918 0.005 1
148 . 14 A H2' H 4.493 0.005 1
149 . 14 A H3' H 4.511 0.005 1
150 . 14 A H4' H 4.474 0.005 1
151 . 14 A H5' H 4.444 0.005 1
152 . 14 A H5'' H 4.105 0.005 1
153 . 14 A H2 H 7.755 0.005 1
154 . 14 A H8 H 7.674 0.005 1
155 . 14 A H61 H 8.047 0.005 1
156 . 14 A H62 H 6.648 0.005 1
157 . 14 A N1 N 221.7 0.05 1
158 . 14 A N3 N 212.9 0.05 1
159 . 14 A C2 C 153.9 0.05 1
160 . 14 A C8 C 139.1 0.05 1
161 . 15 U H1' H 5.335 0.005 1
162 . 15 U H2' H 4.209 0.005 1
163 . 15 U H3' H 4.437 0.005 1
164 . 15 U H4' H 4.357 0.005 1
165 . 15 U H5' H 4.47 0.005 1
166 . 15 U H5'' H 4.047 0.005 1
167 . 15 U H3 H 11.35 0.005 1
168 . 15 U H5 H 5.3 0.005 1
169 . 15 U H6 H 7.4 0.005 1
170 . 15 U N3 N 154.5 0.05 1
171 . 15 U C5 C 104.2 0.05 1
172 . 15 U C6 C 139.1 0.05 1
173 . 15 U C1' C 93.12 0.05 1
174 . 15 U C2' C 75.72 0.05 1
175 . 15 U C3' C 72.11 0.05 1
176 . 15 U C4' C 82.11 0.05 1
177 . 15 U C5' C 64.02 0.05 1
178 . 16 G H1' H 5.632 0.005 1
179 . 16 G H2' H 4.489 0.005 1
180 . 16 G H3' H 4.7 0.005 1
181 . 16 G H1 H 10.7 0.005 1
182 . 16 G H8 H 7.634 0.005 1
183 . 16 G N1 N 145.6 0.05 1
184 . 16 G C8 C 137.1 0.05 1
185 . 17 A H1' H 5.65 0.005 1
186 . 17 A H2' H 4.678 0.005 1
187 . 17 A H3' H 4.461 0.005 1
188 . 17 A H4' H 4.147 0.005 1
189 . 17 A H5' H 4.177 0.005 1
190 . 17 A H5'' H 3.966 0.005 1
191 . 17 A H2 H 7.743 0.005 1
192 . 17 A H8 H 8.317 0.005 1
193 . 17 A N1 N 224.7 0.05 1
194 . 17 A N3 N 215.8 0.05 1
195 . 17 A C2 C 154.4 0.05 1
196 . 17 A C8 C 142.2 0.05 1
197 . 18 A H1' H 5.473 0.005 1
198 . 18 A H2' H 4.393 0.005 1
199 . 18 A H3' H 4.634 0.005 1
200 . 18 A H4' H 4.332 0.005 1
201 . 18 A H5'' H 3.938 0.005 1
202 . 18 A H2 H 7.697 0.005 1
203 . 18 A H8 H 7.959 0.005 1
204 . 18 A N1 N 226.4 0.05 1
205 . 18 A N3 N 214.8 0.05 1
206 . 18 A C2 C 154.5 0.05 1
207 . 18 A C8 C 140.7 0.05 1
208 . 19 A H1' H 5.994 0.005 1
209 . 19 A H2' H 4.618 0.005 1
210 . 19 A H3' H 4.962 0.005 1
211 . 19 A H4' H 4.467 0.005 1
212 . 19 A H5' H 4.541 0.005 1
213 . 19 A H5'' H 4.285 0.005 1
214 . 19 A H2 H 8.159 0.005 1
215 . 19 A H8 H 8.192 0.005 1
216 . 19 A N1 N 226.2 0.05 1
217 . 19 A N3 N 215.9 0.05 1
218 . 19 A C2 C 155.5 0.05 1
219 . 19 A C8 C 141.1 0.05 1
220 . 19 A C1' C 91.47 0.05 1
221 . 19 A C2' C 76.43 0.05 1
222 . 19 A C3' C 73.94 0.05 1
223 . 19 A C4' C 82.69 0.05 1
224 . 19 A C5' C 65.75 0.05 1
225 . 20 G H1' H 4.04 0.005 1
226 . 20 G H2' H 4.369 0.005 1
227 . 20 G H3' H 4.457 0.005 1
228 . 20 G H4' H 4.283 0.005 1
229 . 20 G H5'' H 3.805 0.005 1
230 . 20 G H1 H 11.51 0.005 1
231 . 20 G H8 H 7.772 0.005 1
232 . 20 G N1 N 144.3 0.05 1
233 . 20 G C8 C 137.7 0.05 1
234 . 21 U H1' H 5.477 0.005 1
235 . 21 U H2' H 4.374 0.005 1
236 . 21 U H3 H 14.35 0.005 1
237 . 21 U H5 H 5.134 0.005 1
238 . 21 U H6 H 7.724 0.005 1
239 . 21 U N3 N 162.4 0.05 1
240 . 21 U C5 C 102.4 0.05 1
241 . 21 U C6 C 141.5 0.05 1
242 . 22 C H1' H 5.541 0.005 1
243 . 22 C H2' H 4.456 0.005 1
244 . 22 C H3' H 4.51 0.005 1
245 . 22 C H4' H 4.411 0.005 1
246 . 22 C H5'' H 4.071 0.005 1
247 . 22 C H5 H 5.588 0.005 1
248 . 22 C H6 H 7.823 0.005 1
249 . 22 C H41 H 8.306 0.005 1
250 . 22 C H42 H 6.908 0.005 1
251 . 22 C N3 N 196.9 0.05 1
252 . 22 C C5 C 97.54 0.05 1
253 . 22 C C6 C 141.2 0.05 1
254 . 23 G H1' H 5.617 0.005 1
255 . 23 G H2' H 4.462 0.005 1
256 . 23 G H3' H 4.424 0.005 1
257 . 23 G H4' H 4.534 0.005 1
258 . 23 G H5'' H 4.066 0.005 1
259 . 23 G H1 H 12.75 0.005 1
260 . 23 G H8 H 7.508 0.005 1
261 . 23 G H22 H 5.855 0.005 1
262 . 23 G N1 N 147.1 0.05 1
263 . 23 G C8 C 136.1 0.05 1
264 . 24 C H1' H 5.397 0.005 1
265 . 24 C H2' H 4.352 0.005 1
266 . 24 C H3' H 4.393 0.005 1
267 . 24 C H4' H 4.537 0.005 1
268 . 24 C H5'' H 4.069 0.005 1
269 . 24 C H5 H 5.127 0.005 1
270 . 24 C H6 H 7.45 0.005 1
271 . 24 C H41 H 8.152 0.005 1
272 . 24 C H42 H 6.874 0.005 1
273 . 24 C N3 N 196.1 0.05 1
274 . 24 C C5 C 97.12 0.05 1
275 . 24 C C6 C 140.3 0.05 1
276 . 25 A H1' H 5.839 0.005 1
277 . 25 A H2' H 4.183 0.005 1
278 . 25 A H3' H 4.533 0.005 1
279 . 25 A H4' H 4.405 0.005 1
280 . 25 A H5' H 4.449 0.005 1
281 . 25 A H5'' H 4.055 0.005 1
282 . 25 A H2 H 7.161 0.005 1
283 . 25 A H8 H 7.929 0.005 1
284 . 25 A N1 N 225.1 0.05 1
285 . 25 A N3 N 214.5 0.05 1
286 . 25 A C2 C 154 0.05 1
287 . 25 A C8 C 139.6 0.05 1
288 . 25 A C3' C 71.97 0.05 1
289 . 25 A C4' C 84.87 0.05 1
290 . 25 A C5' C 66.52 0.05 1
291 . 26 C H1' H 5.589 0.005 1
292 . 26 C H2' H 4.113 0.005 1
293 . 26 C H3' H 4.493 0.005 1
294 . 26 C H4' H 4.371 0.005 1
295 . 26 C H5' H 4.236 0.005 1
296 . 26 C H5'' H 4.042 0.005 1
297 . 26 C H5 H 5.408 0.005 1
298 . 26 C H6 H 7.434 0.005 1
299 . 26 C C5 C 97.41 0.05 1
300 . 26 C C6 C 141.8 0.05 1
301 . 27 G H1' H 5.63 0.005 1
302 . 27 G H2' H 4.703 0.005 1
303 . 27 G H3' H 4.68 0.005 1
304 . 27 G H4' H 4.555 0.005 1
305 . 27 G H8 H 7.849 0.005 1
306 . 27 G C8 C 139.5 0.05 1
307 . 27 G C1' C 86.12 0.05 1
308 . 27 G C2' C 75.08 0.05 1
309 . 27 G C3' C 75.02 0.05 1
310 . 27 G C4' C 83.44 0.05 1
311 . 27 G C5' C 67.71 0.05 1
312 . 28 U H1' H 5.659 0.005 1
313 . 28 U H2' H 4.508 0.005 1
314 . 28 U H3' H 4.607 0.005 1
315 . 28 U H4' H 4.623 0.005 1
316 . 28 U H5 H 5.563 0.005 1
317 . 28 U H6 H 7.847 0.005 1
318 . 28 U N3 N 161.7 0.05 1
319 . 28 U C5 C 104.2 0.05 1
320 . 28 U C6 C 142.2 0.05 1
321 . 29 A H1' H 6.022 0.005 1
322 . 29 A H2' H 4.564 0.005 1
323 . 29 A H3' H 4.709 0.005 1
324 . 29 A H4' H 4.547 0.005 1
325 . 29 A H5'' H 4.207 0.005 1
326 . 29 A H2 H 7.232 0.005 1
327 . 29 A H8 H 8.25 0.005 1
328 . 29 A H61 H 7.849 0.005 1
329 . 29 A N1 N 222.3 0.05 1
330 . 29 A N3 N 212.1 0.05 1
331 . 29 A C2 C 153.3 0.05 1
332 . 29 A C8 C 140.1 0.05 1
333 . 29 A C1' C 92.67 0.05 1
334 . 29 A C2' C 75.65 0.05 1
335 . 29 A C3' C 73.04 0.05 1
336 . 29 A C4' C 82.23 0.05 1
337 . 30 C H1' H 5.406 0.005 1
338 . 30 C H2' H 4.384 0.005 1
339 . 30 C H3' H 4.486 0.005 1
340 . 30 C H4' H 4.405 0.005 1
341 . 30 C H5' H 4.432 0.005 1
342 . 30 C H5'' H 4.049 0.005 1
343 . 30 C H5 H 5.181 0.005 1
344 . 30 C H6 H 7.467 0.005 1
345 . 30 C H41 H 8.166 0.005 1
346 . 30 C H42 H 6.83 0.005 1
347 . 30 C N3 N 196.7 0.05 1
348 . 30 C C5 C 97.25 0.05 1
349 . 30 C C6 C 140.4 0.05 1
350 . 31 G H1' H 5.695 0.005 1
351 . 31 G H2' H 4.644 0.005 1
352 . 31 G H3' H 4.544 0.005 1
353 . 31 G H5' H 4.409 0.005 1
354 . 31 G H5'' H 4.097 0.005 1
355 . 31 G H1 H 12.47 0.005 1
356 . 31 G H8 H 7.487 0.005 1
357 . 31 G H21 H 8.04 0.005 1
358 . 31 G H22 H 5.889 0.005 1
359 . 31 G N1 N 146.5 0.05 1
360 . 31 G C8 C 136.1 0.05 1
361 . 32 G H1' H 5.723 0.005 1
362 . 32 G H2' H 4.638 0.005 1
363 . 32 G H3' H 4.374 0.005 1
364 . 32 G H4' H 4.456 0.005 1
365 . 32 G H5' H 4.492 0.005 1
366 . 32 G H5'' H 4.07 0.005 1
367 . 32 G H1 H 13.43 0.005 1
368 . 32 G H8 H 7.209 0.005 1
369 . 32 G H22 H 6.181 0.005 1
370 . 32 G N1 N 148.3 0.05 1
371 . 32 G C8 C 135.9 0.05 1
372 . 33 U H1' H 5.536 0.005 1
373 . 33 U H2' H 4.172 0.005 1
374 . 33 U H3' H 4.54 0.005 1
375 . 33 U H3 H 12.22 0.005 1
376 . 33 U H5 H 5.427 0.005 1
377 . 33 U H6 H 7.743 0.005 1
378 . 33 U N3 N 158.5 0.05 1
379 . 33 U C5 C 103.8 0.05 1
380 . 33 U C6 C 140.5 0.05 1
381 . 34 U H1' H 5.641 0.005 1
382 . 34 U H2' H 4.501 0.005 1
383 . 34 U H3' H 4.538 0.005 1
384 . 34 U H4' H 4.412 0.005 1
385 . 34 U H5'' H 4.091 0.005 1
386 . 34 U H3 H 14.47 0.005 1
387 . 34 U H5 H 5.617 0.005 1
388 . 34 U H6 H 8.088 0.005 1
389 . 34 U N3 N 162.8 0.05 1
390 . 34 U C5 C 103.6 0.05 1
391 . 34 U C6 C 143.2 0.05 1
392 . 35 C H1' H 5.571 0.005 1
393 . 35 C H2' H 4.206 0.005 1
394 . 35 C H3' H 4.425 0.005 1
395 . 35 C H4' H 4.447 0.005 1
396 . 35 C H5'' H 4.081 0.005 1
397 . 35 C H5 H 5.685 0.005 1
398 . 35 C H6 H 7.894 0.005 1
399 . 35 C H41 H 8.497 0.005 1
400 . 35 C H42 H 7.058 0.005 1
401 . 35 C N3 N 198 0.05 1
402 . 35 C C5 C 97.83 0.05 1
403 . 35 C C6 C 142 0.05 1
404 . 35 C C4' C 82.21 0.05 1
405 . 36 C H1' H 5.704 0.005 1
406 . 36 C H5 H 5.482 0.005 1
407 . 36 C H6 H 7.671 0.005 1
408 . 36 C N3 N 197.8 0.05 1
409 . 36 C C5 C 97.51 0.05 1
410 . 36 C C6 C 140.9 0.05 1
stop_
save_