data_5530
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Naturally occurring modifications reduces the anticodon domain conformational
space of tRNA-PHE
;
_BMRB_accession_number 5530
_BMRB_flat_file_name bmr5530.str
_Entry_type original
_Submission_date 2002-09-13
_Accession_date 2002-09-13
_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 Stuart J. W. .
2 Koshlap K. M. .
3 Guenther R. H. .
4 Agris P. F. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 124
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-11-14 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
5531 'Nucleotide 37 Guanosine to 1N-Methylguanosine mutation'
stop_
_Original_release_date 2005-11-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Naturally occurring modifications restricts the anticodon domain conformational
space of tRNA-PHE
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 14643656
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Stuart J. W. .
2 Koshlap K. M. .
3 Guenther R. H. .
4 Agris P. F. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 334
_Journal_issue 5
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 901
_Page_last 918
_Year 2003
_Details .
loop_
_Keyword
2'-O-METHYL
'ANTICODON STEM LOOP'
M5C
'RNA HAIRPIN'
TRNA
'TRNA DOMAIN'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_TRNA-PHE
_Saveframe_category molecular_system
_Mol_system_name 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3'
_Abbreviation_common TRNA-PHE
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3' $TRNA-PHE
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_TRNA-PHE
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class RNA
_Name_common 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3'
_Abbreviation_common TRNA-PHE
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 17
_Mol_residue_sequence CCAGAXUXAAGAUXUGG
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 27 C 2 28 C 3 29 A 4 30 G 5 31 A
6 32 OMC 7 33 U 8 34 OMG 9 35 A 10 36 A
11 37 G 12 38 A 13 39 U 14 40 5MC 15 41 U
16 42 G 17 43 G
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
######################
# Polymer residues #
######################
save_chem_comp_OMC
_Saveframe_category polymer_residue
_Mol_type 'RNA linking'
_Name_common O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
_BMRB_code .
_PDB_code OMC
_Standard_residue_derivative .
_Molecular_mass 337.223
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Jun 13 11:23:33 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
N3 N3 N . 0 . ?
C4 C4 C . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
O2 O2 O . 0 . ?
N4 N4 N . 0 . ?
C1' C1' C . 0 . ?
C2' C2' C . 0 . ?
O2' O2' O . 0 . ?
CM2 CM2 C . 0 . ?
C3' C3' C . 0 . ?
C4' C4' C . 0 . ?
O4' O4' O . 0 . ?
O3' O3' O . 0 . ?
C5' C5' C . 0 . ?
O5' O5' O . 0 . ?
P P P . 0 . ?
OP1 OP1 O . 0 . ?
OP2 OP2 O . 0 . ?
OP3 OP3 O . 0 . ?
H5 H5 H . 0 . ?
H6 H6 H . 0 . ?
HN41 HN41 H . 0 . ?
HN42 HN42 H . 0 . ?
H1' H1' H . 0 . ?
H2' H2' H . 0 . ?
HM21 HM21 H . 0 . ?
HM22 HM22 H . 0 . ?
HM23 HM23 H . 0 . ?
H3' H3' H . 0 . ?
H4' H4' H . 0 . ?
HO3' HO3' H . 0 . ?
H5' H5' H . 0 . ?
H5'' H5'' H . 0 . ?
HOP2 HOP2 H . 0 . ?
HOP3 HOP3 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N1 C2 ? ?
SING N1 C6 ? ?
SING N1 C1' ? ?
SING C2 N3 ? ?
DOUB C2 O2 ? ?
DOUB N3 C4 ? ?
SING C4 C5 ? ?
SING C4 N4 ? ?
DOUB C5 C6 ? ?
SING C5 H5 ? ?
SING C6 H6 ? ?
SING N4 HN41 ? ?
SING N4 HN42 ? ?
SING C1' C2' ? ?
SING C1' O4' ? ?
SING C1' H1' ? ?
SING C2' O2' ? ?
SING C2' C3' ? ?
SING C2' H2' ? ?
SING O2' CM2 ? ?
SING CM2 HM21 ? ?
SING CM2 HM22 ? ?
SING CM2 HM23 ? ?
SING C3' C4' ? ?
SING C3' O3' ? ?
SING C3' H3' ? ?
SING C4' O4' ? ?
SING C4' C5' ? ?
SING C4' H4' ? ?
SING O3' HO3' ? ?
SING C5' O5' ? ?
SING C5' H5' ? ?
SING C5' H5'' ? ?
SING O5' P ? ?
DOUB P OP1 ? ?
SING P OP2 ? ?
SING P OP3 ? ?
SING OP2 HOP2 ? ?
SING OP3 HOP3 ? ?
stop_
save_
save_chem_comp_OMG
_Saveframe_category polymer_residue
_Mol_type 'RNA linking'
_Name_common O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
_BMRB_code .
_PDB_code OMG
_Standard_residue_derivative .
_Molecular_mass 377.247
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Jun 13 11:29:36 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
P P P . 0 . ?
OP1 OP1 O . 0 . ?
OP2 OP2 O . 0 . ?
OP3 OP3 O . 0 . ?
O5' O5' O . 0 . ?
C5' C5' C . 0 . ?
C4' C4' C . 0 . ?
O4' O4' O . 0 . ?
C3' C3' C . 0 . ?
O3' O3' O . 0 . ?
C2' C2' C . 0 . ?
O2' O2' O . 0 . ?
CM2 CM2 C . 0 . ?
C1' C1' C . 0 . ?
N9 N9 N . 0 . ?
C8 C8 C . 0 . ?
N7 N7 N . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
O6 O6 O . 0 . ?
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
N2 N2 N . 0 . ?
N3 N3 N . 0 . ?
C4 C4 C . 0 . ?
HOP2 HOP2 H . 0 . ?
HOP3 HOP3 H . 0 . ?
H5' H5' H . 0 . ?
H5'' H5'' H . 0 . ?
H4' H4' H . 0 . ?
H3' H3' H . 0 . ?
HO3' HO3' H . 0 . ?
H2' H2' H . 0 . ?
HM21 HM21 H . 0 . ?
HM22 HM22 H . 0 . ?
HM23 HM23 H . 0 . ?
H1' H1' H . 0 . ?
H8 H8 H . 0 . ?
HN1 HN1 H . 0 . ?
HN21 HN21 H . 0 . ?
HN22 HN22 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB P OP1 ? ?
SING P OP2 ? ?
SING P OP3 ? ?
SING P O5' ? ?
SING OP2 HOP2 ? ?
SING OP3 HOP3 ? ?
SING O5' C5' ? ?
SING C5' C4' ? ?
SING C5' H5' ? ?
SING C5' H5'' ? ?
SING C4' O4' ? ?
SING C4' C3' ? ?
SING C4' H4' ? ?
SING O4' C1' ? ?
SING C3' O3' ? ?
SING C3' C2' ? ?
SING C3' H3' ? ?
SING O3' HO3' ? ?
SING C2' O2' ? ?
SING C2' C1' ? ?
SING C2' H2' ? ?
SING O2' CM2 ? ?
SING CM2 HM21 ? ?
SING CM2 HM22 ? ?
SING CM2 HM23 ? ?
SING C1' N9 ? ?
SING C1' H1' ? ?
SING N9 C8 ? ?
SING N9 C4 ? ?
DOUB C8 N7 ? ?
SING C8 H8 ? ?
SING N7 C5 ? ?
SING C5 C6 ? ?
DOUB C5 C4 ? ?
DOUB C6 O6 ? ?
SING C6 N1 ? ?
SING N1 C2 ? ?
SING N1 HN1 ? ?
SING C2 N2 ? ?
DOUB C2 N3 ? ?
SING N2 HN21 ? ?
SING N2 HN22 ? ?
SING N3 C4 ? ?
stop_
save_
save_chem_comp_5MC
_Saveframe_category polymer_residue
_Mol_type 'RNA linking'
_Name_common 5-METHYLCYTIDINE-5'-MONOPHOSPHATE
_BMRB_code .
_PDB_code 5MC
_Standard_residue_derivative .
_Molecular_mass 337.223
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Jun 13 11:31:32 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
P P P . 0 . ?
OP1 OP1 O . 0 . ?
OP2 OP2 O . 0 . ?
OP3 OP3 O . 0 . ?
O5' O5' O . 0 . ?
C5' C5' C . 0 . ?
C4' C4' C . 0 . ?
O4' O4' O . 0 . ?
C3' C3' C . 0 . ?
O3' O3' O . 0 . ?
C2' C2' C . 0 . ?
O2' O2' O . 0 . ?
C1' C1' C . 0 . ?
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
O2 O2 O . 0 . ?
N3 N3 N . 0 . ?
C4 C4 C . 0 . ?
N4 N4 N . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
CM5 CM5 C . 0 . ?
HOP2 HOP2 H . 0 . ?
HOP3 HOP3 H . 0 . ?
H5' H5' H . 0 . ?
H5'' H5'' H . 0 . ?
H4' H4' H . 0 . ?
H3' H3' H . 0 . ?
HO3' HO3' H . 0 . ?
H2' H2' H . 0 . ?
HO2' HO2' H . 0 . ?
H1' H1' H . 0 . ?
HN41 HN41 H . 0 . ?
HN42 HN42 H . 0 . ?
H6 H6 H . 0 . ?
HM51 HM51 H . 0 . ?
HM52 HM52 H . 0 . ?
HM53 HM53 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB P OP1 ? ?
SING P OP2 ? ?
SING P OP3 ? ?
SING P O5' ? ?
SING OP2 HOP2 ? ?
SING OP3 HOP3 ? ?
SING O5' C5' ? ?
SING C5' C4' ? ?
SING C5' H5' ? ?
SING C5' H5'' ? ?
SING C4' O4' ? ?
SING C4' C3' ? ?
SING C4' H4' ? ?
SING O4' C1' ? ?
SING C3' O3' ? ?
SING C3' C2' ? ?
SING C3' H3' ? ?
SING O3' HO3' ? ?
SING C2' O2' ? ?
SING C2' C1' ? ?
SING C2' H2' ? ?
SING O2' HO2' ? ?
SING C1' N1 ? ?
SING C1' H1' ? ?
SING N1 C2 ? ?
SING N1 C6 ? ?
DOUB C2 O2 ? ?
SING C2 N3 ? ?
DOUB N3 C4 ? ?
SING C4 N4 ? ?
SING C4 C5 ? ?
SING N4 HN41 ? ?
SING N4 HN42 ? ?
DOUB C5 C6 ? ?
SING C5 CM5 ? ?
SING C6 H6 ? ?
SING CM5 HM51 ? ?
SING CM5 HM52 ? ?
SING CM5 HM53 ? ?
stop_
save_
#############
# Ligands #
#############
save_OMC
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common OMC
_Molecular_mass .
_Details .
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
save_OMG
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common OMG
_Molecular_mass .
_Details .
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
save_5MC
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common 5MC
_Molecular_mass .
_Details .
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$TRNA-PHE 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae
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
$TRNA-PHE 'chemical synthesis' . . . . .
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
$TRNA-PHE 1.6 mM .
'cacodylate buffer' 10 mM .
EDTA 0.1 mM .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version .
loop_
_Task
collection
stop_
_Details Bruker
save_
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 98
loop_
_Task
'data analysis'
stop_
_Details Accelrys
save_
save_DISCOVER
_Saveframe_category software
_Name DISCOVER
_Version 98
loop_
_Task
refinement
stop_
_Details Accelrys
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label $sample_1
save_
save_DQF-COSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name DQF-COSY
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name DQF-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.60 . pH
pressure 1 . atm
temperature 298 . 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_citation_label
_Correction_value_citation_label
. H 1 . ppm . . . . . . $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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3'
_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 C H41 H 7.49 . 1
2 . 1 C H42 H 8.29 . 1
3 . 1 C H5 H 6.071 . 1
4 . 1 C H6 H 8.172 . 1
5 . 1 C H1' H 5.624 . 1
6 . 1 C H3' H 4.521 . 1
7 . 1 C H4' H 4.360 . 1
8 . 1 C H5' H 4.105 . 2
9 . 1 C H5'' H 3.953 . 2
10 . 1 C H2' H 4.494 . 1
11 . 2 C H41 H 7.100 . 1
12 . 2 C H42 H 8.457 . 1
13 . 2 C H5 H 5.711 . 1
14 . 2 C H6 H 7.980 . 1
15 . 2 C H1' H 5.588 . 1
16 . 2 C H3' H 4.695 . 1
17 . 2 C H2' H 4.599 . 1
18 . 2 C H4' H 4.457 . 1
19 . 3 A H61 H 7.710 . 1
20 . 3 A H62 H 6.293 . 1
21 . 3 A H1' H 5.934 . 1
22 . 3 A H8 H 8.049 . 1
23 . 3 A H2 H 7.024 . 1
24 . 3 A H3' H 4.777 . 1
25 . 3 A H2' H 4.727 . 1
26 . 3 A H4' H 4.539 . 1
27 . 3 A H5' H 4.219 . 2
28 . 4 G H1 H 12.59 . 1
29 . 4 G H21 H 6.165 . 1
30 . 4 G H22 H 8.24 . 1
31 . 4 G H1' H 5.567 . 1
32 . 4 G H8 H 7.209 . 1
33 . 4 G H2' H 4.598 . 1
34 . 4 G H4' H 4.467 . 1
35 . 4 G H3' H 4.447 . 1
36 . 5 A H61 H 7.707 . 1
37 . 5 A H62 H 6.779 . 1
38 . 5 A H2 H 7.840 . 1
39 . 5 A H8 H 7.516 . 1
40 . 5 A H1' H 5.831 . 1
41 . 5 A H3' H 4.386 . 1
42 . 5 A H4' H 4.469 . 1
43 . 5 A H2' H 4.628 . 1
44 . 5 A H5' H 4.076 . 2
45 . 6 OMC HN41 H 6.89 . 1
46 . 6 OMC HN42 H 7.28 . 1
47 . 6 OMC H5 H 5.326 . 1
48 . 6 OMC H6 H 7.555 . 1
49 . 6 OMC H1' H 5.538 . 1
50 . 6 OMC HM21 H 3.647 . 2
51 . 6 OMC H3' H 4.389 . 1
52 . 6 OMC H2' H 4.285 . 1
53 . 6 OMC H4' H 3.842 . 1
54 . 7 U H1' H 5.606 . 1
55 . 7 U H5 H 5.430 . 1
56 . 7 U H6 H 7.581 . 1
57 . 7 U H2' H 4.229 . 1
58 . 7 U H3' H 4.451 . 1
59 . 7 U H4' H 4.367 . 1
60 . 8 OMG H1' H 5.652 . 1
61 . 8 OMG H8 H 8.191 . 1
62 . 8 OMG H3' H 4.712 . 1
63 . 8 OMG H2' H 4.472 . 1
64 . 8 OMG HM21 H 3.356 . 2
65 . 8 OMG H4' H 4.011 . 1
66 . 8 OMG H5' H 3.892 . 2
67 . 8 OMG H5'' H 3.750 . 2
68 . 9 A H1' H 5.557 . 1
69 . 9 A H8 H 7.938 . 1
70 . 9 A H2 H 8.01 . 1
71 . 9 A H3' H 4.792 . 1
72 . 9 A H2' H 4.496 . 1
73 . 9 A H4' H 4.323 . 1
74 . 10 A H1' H 5.891 . 1
75 . 10 A H8 H 8.069 . 1
76 . 10 A H3' H 4.924 . 1
77 . 10 A H2' H 4.792 . 1
78 . 10 A H4' H 4.457 . 1
79 . 10 A H5' H 4.065 . 2
80 . 10 A H2 H 8.12 . 1
81 . 11 G H8 H 7.994 . 1
82 . 11 G H1' H 5.848 . 1
83 . 11 G H3' H 4.848 . 1
84 . 11 G H2' H 4.829 . 1
85 . 11 G H5' H 4.332 . 2
86 . 11 G H4' H 4.574 . 1
87 . 12 A H8 H 8.221 . 1
88 . 12 A H1' H 5.700 . 1
89 . 12 A H2 H 8.192 . 1
90 . 12 A H2' H 4.650 . 1
91 . 12 A H4' H 4.561 . 1
92 . 12 A H3' H 4.442 . 1
93 . 12 A H5' H 4.382 . 2
94 . 13 U H3 H 14.681 . 1
95 . 13 U H1' H 5.411 . 1
96 . 13 U H5 H 5.311 . 1
97 . 13 U H6 H 7.707 . 1
98 . 13 U H2' H 4.369 . 1
99 . 13 U H3' H 4.442 . 1
100 . 14 5MC HN41 H 6.739 . 1
101 . 14 5MC HN42 H 8.447 . 1
102 . 14 5MC H1' H 5.594 . 1
103 . 14 5MC H6 H 7.786 . 1
104 . 14 5MC H2' H 4.279 . 1
105 . 14 5MC H3' H 4.531 . 1
106 . 14 5MC HM51 H 1.682 . 2
107 . 15 U H3 H 13.306 . 1
108 . 15 U H5 H 5.312 . 1
109 . 15 U H6 H 7.788 . 1
110 . 15 U H1' H 5.519 . 1
111 . 15 U H3' H 4.628 . 1
112 . 15 U H2' H 4.603 . 1
113 . 16 G H1 H 12.395 . 1
114 . 16 G H21 H 5.909 . 1
115 . 16 G H22 H 7.951 . 1
116 . 16 G H8 H 7.697 . 1
117 . 16 G H1' H 5.744 . 1
118 . 16 G H3' H 4.547 . 1
119 . 16 G H2' H 4.514 . 1
120 . 17 G H1 H 13.14 . 1
121 . 17 G H1' H 5.774 . 1
122 . 17 G H8 H 7.393 . 1
123 . 17 G H3' H 4.211 . 1
124 . 17 G H2' H 4.056 . 1
stop_
save_