data_6543
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6543
_Entry.Title
;
HIV-1 frameshift inducing element RNA
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2005-03-10
_Entry.Accession_date 2005-03-11
_Entry.Last_release_date 2006-11-06
_Entry.Original_release_date 2006-11-06
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 David Staple . W. . 6543
2 Samuel Butcher . E. . 6543
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6543
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 308 6543
'13C chemical shifts' 91 6543
'15N chemical shifts' 24 6543
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2006-11-06 2005-03-10 original author . 6543
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1Z2J 'BMRB Entry Tracking System' 6543
. 5834 'HIV-1 frameshift inducing stem-loop RNA' 6543
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6543
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15927637
_Citation.Full_citation .
_Citation.Title 'Soultion structure and thermodynamic investigation of the HIV-1 frameshift inducing element'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 349
_Citation.Journal_issue 5
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 1011
_Citation.Page_last 1023
_Citation.Year 2005
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 David Staple . W. . 6543 1
2 Samuel Butcher . E. . 6543 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 6543
_Assembly.ID 1
_Assembly.Name 'HIV-1 frameshift inducing RNA'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites no
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not available'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
'single stranded RNA' 6543 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'HIV-1 frameshift inducing RNA' 1 $HIV-1_frameshift_inducing_RNA . . yes native no no . . . 6543 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_HIV-1_frameshift_inducing_RNA
_Entity.Sf_category entity
_Entity.Sf_framecode HIV-1_frameshift_inducing_RNA
_Entity.Entry_ID 6543
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'HIV-1 frameshift induciting element RNA'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GGGAAGAUCUGGCCUUCCCA
CAAGGGAAGGCCAGGGAAUC
UUCCC
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 45
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'ribosomal frameshift induction' 6543 1
stop_
loop_
_Entity_keyword.Keyword
_Entity_keyword.Entry_ID
_Entity_keyword.Entity_ID
frameshift 6543 1
HIV 6543 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . G . 6543 1
2 . G . 6543 1
3 . G . 6543 1
4 . A . 6543 1
5 . A . 6543 1
6 . G . 6543 1
7 . A . 6543 1
8 . U . 6543 1
9 . C . 6543 1
10 . U . 6543 1
11 . G . 6543 1
12 . G . 6543 1
13 . C . 6543 1
14 . C . 6543 1
15 . U . 6543 1
16 . U . 6543 1
17 . C . 6543 1
18 . C . 6543 1
19 . C . 6543 1
20 . A . 6543 1
21 . C . 6543 1
22 . A . 6543 1
23 . A . 6543 1
24 . G . 6543 1
25 . G . 6543 1
26 . G . 6543 1
27 . A . 6543 1
28 . A . 6543 1
29 . G . 6543 1
30 . G . 6543 1
31 . C . 6543 1
32 . C . 6543 1
33 . A . 6543 1
34 . G . 6543 1
35 . G . 6543 1
36 . G . 6543 1
37 . A . 6543 1
38 . A . 6543 1
39 . U . 6543 1
40 . C . 6543 1
41 . U . 6543 1
42 . U . 6543 1
43 . C . 6543 1
44 . C . 6543 1
45 . C . 6543 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. G 1 1 6543 1
. G 2 2 6543 1
. G 3 3 6543 1
. A 4 4 6543 1
. A 5 5 6543 1
. G 6 6 6543 1
. A 7 7 6543 1
. U 8 8 6543 1
. C 9 9 6543 1
. U 10 10 6543 1
. G 11 11 6543 1
. G 12 12 6543 1
. C 13 13 6543 1
. C 14 14 6543 1
. U 15 15 6543 1
. U 16 16 6543 1
. C 17 17 6543 1
. C 18 18 6543 1
. C 19 19 6543 1
. A 20 20 6543 1
. C 21 21 6543 1
. A 22 22 6543 1
. A 23 23 6543 1
. G 24 24 6543 1
. G 25 25 6543 1
. G 26 26 6543 1
. A 27 27 6543 1
. A 28 28 6543 1
. G 29 29 6543 1
. G 30 30 6543 1
. C 31 31 6543 1
. C 32 32 6543 1
. A 33 33 6543 1
. G 34 34 6543 1
. G 35 35 6543 1
. G 36 36 6543 1
. A 37 37 6543 1
. A 38 38 6543 1
. U 39 39 6543 1
. C 40 40 6543 1
. U 41 41 6543 1
. U 42 42 6543 1
. C 43 43 6543 1
. C 44 44 6543 1
. C 45 45 6543 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6543
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $HIV-1_frameshift_inducing_RNA . 11676 virus . . HIV . . Viruses 'Not applicable' HIV HIV . . . . . . . . . . . . . . . . . . . . . 6543 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 6543
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $HIV-1_frameshift_inducing_RNA . 'in vitro transcription' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6543
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'HIV-1 frameshift induciting element RNA' '[U-13C; U-15N]-A,U' . . 1 $HIV-1_frameshift_inducing_RNA . . 1 . . mM . . . . 6543 1
2 NaCl . . . . . . . 50 . . mM . . . . 6543 1
3 D2O . . . . . . . 10 . . % . . . . 6543 1
4 H2O . . . . . . . 90 . . % . . . . 6543 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6543
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'HIV-1 frameshift induciting element RNA' '[U-13C; U-15N]-G,C' . . 1 $HIV-1_frameshift_inducing_RNA . . 1 . . mM . . . . 6543 2
2 NaCl . . . . . . . 50 . . mM . . . . 6543 2
3 D2O . . . . . . . 100 . . % . . . . 6543 2
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 6543
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 0.1 pH 6543 1
pressure 1 0.1 atm 6543 1
temperature 303 0.1 K 6543 1
stop_
save_
save_conditions_2
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_2
_Sample_condition_list.Entry_ID 6543
_Sample_condition_list.ID 2
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 0.1 pH 6543 2
pressure 1 0.1 atm 6543 2
temperature 283 0.1 K 6543 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 600MHz_spectrometer
_NMR_spectrometer.Entry_ID 6543
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_750MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 750MHz_spectrometer
_NMR_spectrometer.Entry_ID 6543
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_800MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 800MHz_spectrometer
_NMR_spectrometer.Entry_ID 6543
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model Inova
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_900MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 900MHz_spectrometer
_NMR_spectrometer.Entry_ID 6543
_NMR_spectrometer.ID 4
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model Inova
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
#############################
# NMR applied experiments #
#############################
save_NMR_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode NMR_experiment_list
_Experiment_list.Entry_ID 6543
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-1H NOESY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
2 '2D 1H-1H TOCSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
3 '2D 1H-13C HSQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
4 '2D 1H-15N HMQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
5 '2D HNN COSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
6 '3D HCCH TOCSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
7 '3D HCCH COSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
8 '3D NOESY-HMQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
9 'Filter/Edit 2D 1H-1H NOEY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1
stop_
save_
save_1H15C_HSQC
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 1H15C_HSQC
_NMR_spec_expt.Entry_ID 6543
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name 1H15C_HSQC
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_referencing
_Chem_shift_reference.Entry_ID 6543
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6543 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6543 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6543 1
P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 6543 1
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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6543
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 isotropic 6543 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 G H1 H 1 12.457 0.011 . . . . . . 1 G H1 . 6543 1
2 . 1 1 1 1 G H8 H 1 8.071 0.024 . . . . . . 1 G H8 . 6543 1
3 . 1 1 1 1 G H1' H 1 5.771 0.001 . . . . . . 1 G H1' . 6543 1
4 . 1 1 1 1 G H2' H 1 4.856 0.000 . . . . . . 1 G H2' . 6543 1
5 . 1 1 1 1 G H3' H 1 4.641 0.000 . . . . . . 1 G H3' . 6543 1
6 . 1 1 1 1 G H4' H 1 4.493 0.000 . . . . . . 1 G H4' . 6543 1
7 . 1 1 1 1 G H5' H 1 4.369 0.000 . . . . . . 1 G H5' . 6543 1
8 . 1 1 1 1 G H5'' H 1 4.206 0.004 . . . . . . 1 G H5'' . 6543 1
9 . 1 1 1 1 G C8 C 13 139.297 0.000 . . . . . . 1 G C8 . 6543 1
10 . 1 1 1 1 G N1 N 15 144.825 0.000 . . . . . . 1 G N1 . 6543 1
11 . 1 1 2 2 G H1 H 1 12.611 0.005 . . . . . . 2 G H1 . 6543 1
12 . 1 1 2 2 G H8 H 1 7.461 0.004 . . . . . . 2 G H8 . 6543 1
13 . 1 1 2 2 G H1' H 1 5.873 0.000 . . . . . . 2 G H1' . 6543 1
14 . 1 1 2 2 G H2' H 1 4.486 0.000 . . . . . . 2 G H2' . 6543 1
15 . 1 1 2 2 G H3' H 1 4.641 0.000 . . . . . . 2 G H3' . 6543 1
16 . 1 1 2 2 G H4' H 1 4.428 0.000 . . . . . . 2 G H4' . 6543 1
17 . 1 1 2 2 G H5' H 1 4.416 0.000 . . . . . . 2 G H5' . 6543 1
18 . 1 1 2 2 G H5'' H 1 4.215 0.000 . . . . . . 2 G H5'' . 6543 1
19 . 1 1 2 2 G C8 C 13 136.786 0.000 . . . . . . 2 G C8 . 6543 1
20 . 1 1 2 2 G N1 N 15 144.718 0.000 . . . . . . 2 G N1 . 6543 1
21 . 1 1 3 3 G H1 H 1 12.165 0.006 . . . . . . 3 G H1 . 6543 1
22 . 1 1 3 3 G H8 H 1 7.104 0.009 . . . . . . 3 G H8 . 6543 1
23 . 1 1 3 3 G H1' H 1 5.711 0.001 . . . . . . 3 G H1' . 6543 1
24 . 1 1 3 3 G H2' H 1 4.565 0.000 . . . . . . 3 G H2' . 6543 1
25 . 1 1 3 3 G H3' H 1 4.640 0.000 . . . . . . 3 G H3' . 6543 1
26 . 1 1 3 3 G H4' H 1 4.430 0.000 . . . . . . 3 G H4' . 6543 1
27 . 1 1 3 3 G H21 H 1 7.911 0.000 . . . . . . 3 G H21 . 6543 1
28 . 1 1 3 3 G H22 H 1 5.728 0.000 . . . . . . 3 G H22 . 6543 1
29 . 1 1 3 3 G C8 C 13 136.926 0.000 . . . . . . 3 G C8 . 6543 1
30 . 1 1 3 3 G N1 N 15 144.711 0.000 . . . . . . 3 G N1 . 6543 1
31 . 1 1 4 4 A H2 H 1 7.067 0.010 . . . . . . 4 A H2 . 6543 1
32 . 1 1 4 4 A H8 H 1 7.559 0.008 . . . . . . 4 A H8 . 6543 1
33 . 1 1 4 4 A H1' H 1 5.848 0.002 . . . . . . 4 A H1' . 6543 1
34 . 1 1 4 4 A H2' H 1 4.580 0.001 . . . . . . 4 A H2' . 6543 1
35 . 1 1 4 4 A H3' H 1 4.464 0.000 . . . . . . 4 A H3' . 6543 1
36 . 1 1 4 4 A H4' H 1 4.433 0.000 . . . . . . 4 A H4' . 6543 1
37 . 1 1 4 4 A H5' H 1 4.042 0.000 . . . . . . 4 A H5' . 6543 1
38 . 1 1 4 4 A H61 H 1 7.748 0.000 . . . . . . 4 A H61 . 6543 1
39 . 1 1 4 4 A H62 H 1 6.596 0.000 . . . . . . 4 A H62 . 6543 1
40 . 1 1 4 4 A C2 C 13 152.812 0.000 . . . . . . 4 A C2 . 6543 1
41 . 1 1 4 4 A C8 C 13 139.013 0.000 . . . . . . 4 A C8 . 6543 1
42 . 1 1 4 4 A C1' C 13 90.380 0.000 . . . . . . 4 A C1' . 6543 1
43 . 1 1 5 5 A H2 H 1 7.387 0.005 . . . . . . 5 A H2 . 6543 1
44 . 1 1 5 5 A H8 H 1 7.541 0.005 . . . . . . 5 A H8 . 6543 1
45 . 1 1 5 5 A H1' H 1 5.797 0.003 . . . . . . 5 A H1' . 6543 1
46 . 1 1 5 5 A H2' H 1 4.583 0.001 . . . . . . 5 A H2' . 6543 1
47 . 1 1 5 5 A H3' H 1 4.460 0.000 . . . . . . 5 A H3' . 6543 1
48 . 1 1 5 5 A H4' H 1 4.414 0.000 . . . . . . 5 A H4' . 6543 1
49 . 1 1 5 5 A H5' H 1 4.030 0.000 . . . . . . 5 A H5' . 6543 1
50 . 1 1 5 5 A C2 C 13 153.019 0.000 . . . . . . 5 A C2 . 6543 1
51 . 1 1 5 5 A C8 C 13 139.000 0.000 . . . . . . 5 A C8 . 6543 1
52 . 1 1 5 5 A C1' C 13 92.650 0.000 . . . . . . 5 A C1' . 6543 1
53 . 1 1 6 6 G H1 H 1 12.638 0.006 . . . . . . 6 G H1 . 6543 1
54 . 1 1 6 6 G H8 H 1 6.950 0.002 . . . . . . 6 G H8 . 6543 1
55 . 1 1 6 6 G H1' H 1 5.444 0.001 . . . . . . 6 G H1' . 6543 1
56 . 1 1 6 6 G H2' H 1 4.436 0.002 . . . . . . 6 G H2' . 6543 1
57 . 1 1 6 6 G H21 H 1 7.972 0.000 . . . . . . 6 G H21 . 6543 1
58 . 1 1 6 6 G H22 H 1 6.012 0.000 . . . . . . 6 G H22 . 6543 1
59 . 1 1 6 6 G C8 C 13 135.839 0.000 . . . . . . 6 G C8 . 6543 1
60 . 1 1 6 6 G N1 N 15 144.744 0.000 . . . . . . 6 G N1 . 6543 1
61 . 1 1 7 7 A H2 H 1 7.846 0.008 . . . . . . 7 A H2 . 6543 1
62 . 1 1 7 7 A H8 H 1 7.672 0.005 . . . . . . 7 A H8 . 6543 1
63 . 1 1 7 7 A H1' H 1 5.930 0.001 . . . . . . 7 A H1' . 6543 1
64 . 1 1 7 7 A H2' H 1 4.352 0.000 . . . . . . 7 A H2' . 6543 1
65 . 1 1 7 7 A H3' H 1 4.559 0.000 . . . . . . 7 A H3' . 6543 1
66 . 1 1 7 7 A H4' H 1 4.467 0.053 . . . . . . 7 A H4' . 6543 1
67 . 1 1 7 7 A H5'' H 1 4.049 0.000 . . . . . . 7 A H5'' . 6543 1
68 . 1 1 7 7 A C2 C 13 154.686 0.000 . . . . . . 7 A C2 . 6543 1
69 . 1 1 7 7 A C8 C 13 139.258 0.000 . . . . . . 7 A C8 . 6543 1
70 . 1 1 7 7 A C1' C 13 93.063 0.000 . . . . . . 7 A C1' . 6543 1
71 . 1 1 8 8 U H5 H 1 5.172 0.003 . . . . . . 8 U H5 . 6543 1
72 . 1 1 8 8 U H6 H 1 7.461 0.006 . . . . . . 8 U H6 . 6543 1
73 . 1 1 8 8 U H1' H 1 5.746 0.005 . . . . . . 8 U H1' . 6543 1
74 . 1 1 8 8 U H2' H 1 4.229 0.001 . . . . . . 8 U H2' . 6543 1
75 . 1 1 8 8 U H3' H 1 4.561 0.001 . . . . . . 8 U H3' . 6543 1
76 . 1 1 8 8 U H4' H 1 4.367 0.002 . . . . . . 8 U H4' . 6543 1
77 . 1 1 8 8 U H5' H 1 4.043 0.002 . . . . . . 8 U H5' . 6543 1
78 . 1 1 8 8 U C5 C 13 103.852 0.000 . . . . . . 8 U C5 . 6543 1
79 . 1 1 8 8 U C6 C 13 141.653 0.000 . . . . . . 8 U C6 . 6543 1
80 . 1 1 8 8 U C1' C 13 90.249 0.000 . . . . . . 8 U C1' . 6543 1
81 . 1 1 9 9 C H5 H 1 5.901 0.000 . . . . . . 9 C H5 . 6543 1
82 . 1 1 9 9 C H6 H 1 7.856 0.003 . . . . . . 9 C H6 . 6543 1
83 . 1 1 9 9 C H1' H 1 5.438 0.001 . . . . . . 9 C H1' . 6543 1
84 . 1 1 9 9 C H2' H 1 4.424 0.004 . . . . . . 9 C H2' . 6543 1
85 . 1 1 9 9 C H42 H 1 6.950 0.000 . . . . . . 9 C H42 . 6543 1
86 . 1 1 9 9 C C5 C 13 98.484 0.000 . . . . . . 9 C C5 . 6543 1
87 . 1 1 9 9 C C6 C 13 142.597 0.000 . . . . . . 9 C C6 . 6543 1
88 . 1 1 9 9 C N3 N 15 165.100 0.000 . . . . . . 9 C N3 . 6543 1
89 . 1 1 10 10 U H3 H 1 13.277 0.004 . . . . . . 10 U H3 . 6543 1
90 . 1 1 10 10 U H5 H 1 5.387 0.008 . . . . . . 10 U H5 . 6543 1
91 . 1 1 10 10 U H6 H 1 7.812 0.002 . . . . . . 10 U H6 . 6543 1
92 . 1 1 10 10 U H1' H 1 5.411 0.003 . . . . . . 10 U H1' . 6543 1
93 . 1 1 10 10 U H2' H 1 4.545 0.001 . . . . . . 10 U H2' . 6543 1
94 . 1 1 10 10 U H4' H 1 4.322 0.000 . . . . . . 10 U H4' . 6543 1
95 . 1 1 10 10 U H5' H 1 4.085 0.002 . . . . . . 10 U H5' . 6543 1
96 . 1 1 10 10 U H5'' H 1 4.451 0.000 . . . . . . 10 U H5'' . 6543 1
97 . 1 1 10 10 U C5 C 13 103.526 0.000 . . . . . . 10 U C5 . 6543 1
98 . 1 1 10 10 U C6 C 13 141.994 0.000 . . . . . . 10 U C6 . 6543 1
99 . 1 1 10 10 U C1' C 13 93.598 0.000 . . . . . . 10 U C1' . 6543 1
100 . 1 1 11 11 G H1 H 1 11.999 0.005 . . . . . . 11 G H1 . 6543 1
101 . 1 1 11 11 G H8 H 1 7.627 0.001 . . . . . . 11 G H8 . 6543 1
102 . 1 1 11 11 G H1' H 1 5.685 0.001 . . . . . . 11 G H1' . 6543 1
103 . 1 1 11 11 G H2' H 1 4.519 0.002 . . . . . . 11 G H2' . 6543 1
104 . 1 1 11 11 G H21 H 1 7.675 0.000 . . . . . . 11 G H21 . 6543 1
105 . 1 1 11 11 G H22 H 1 5.609 0.000 . . . . . . 11 G H22 . 6543 1
106 . 1 1 11 11 G C8 C 13 136.397 0.000 . . . . . . 11 G C8 . 6543 1
107 . 1 1 11 11 G N1 N 15 144.419 0.000 . . . . . . 11 G N1 . 6543 1
108 . 1 1 12 12 G H1 H 1 13.229 0.006 . . . . . . 12 G H1 . 6543 1
109 . 1 1 12 12 G H8 H 1 7.244 0.002 . . . . . . 12 G H8 . 6543 1
110 . 1 1 12 12 G H1' H 1 5.597 0.000 . . . . . . 12 G H1' . 6543 1
111 . 1 1 12 12 G H2' H 1 4.384 0.000 . . . . . . 12 G H2' . 6543 1
112 . 1 1 12 12 G H4' H 1 4.344 0.000 . . . . . . 12 G H4' . 6543 1
113 . 1 1 12 12 G H5'' H 1 4.009 0.002 . . . . . . 12 G H5'' . 6543 1
114 . 1 1 12 12 G H21 H 1 8.334 0.000 . . . . . . 12 G H21 . 6543 1
115 . 1 1 12 12 G H22 H 1 5.431 0.000 . . . . . . 12 G H22 . 6543 1
116 . 1 1 12 12 G C8 C 13 136.012 0.000 . . . . . . 12 G C8 . 6543 1
117 . 1 1 12 12 G N1 N 15 145.241 0.000 . . . . . . 12 G N1 . 6543 1
118 . 1 1 13 13 C H5 H 1 5.126 0.005 . . . . . . 13 C H5 . 6543 1
119 . 1 1 13 13 C H6 H 1 7.524 0.001 . . . . . . 13 C H6 . 6543 1
120 . 1 1 13 13 C H1' H 1 5.434 0.001 . . . . . . 13 C H1' . 6543 1
121 . 1 1 13 13 C H2' H 1 4.335 0.000 . . . . . . 13 C H2' . 6543 1
122 . 1 1 13 13 C H41 H 1 8.544 0.000 . . . . . . 13 C H41 . 6543 1
123 . 1 1 13 13 C H42 H 1 6.836 0.000 . . . . . . 13 C H42 . 6543 1
124 . 1 1 13 13 C C5 C 13 97.406 0.000 . . . . . . 13 C C5 . 6543 1
125 . 1 1 13 13 C C6 C 13 140.735 0.000 . . . . . . 13 C C6 . 6543 1
126 . 1 1 13 13 C N3 N 15 165.018 0.000 . . . . . . 13 C N3 . 6543 1
127 . 1 1 14 14 C H5 H 1 5.473 0.002 . . . . . . 14 C H5 . 6543 1
128 . 1 1 14 14 C H6 H 1 7.669 0.004 . . . . . . 14 C H6 . 6543 1
129 . 1 1 14 14 C H1' H 1 5.439 0.001 . . . . . . 14 C H1' . 6543 1
130 . 1 1 14 14 C H2' H 1 4.366 0.000 . . . . . . 14 C H2' . 6543 1
131 . 1 1 14 14 C H41 H 1 8.494 0.000 . . . . . . 14 C H41 . 6543 1
132 . 1 1 14 14 C H42 H 1 6.876 0.000 . . . . . . 14 C H42 . 6543 1
133 . 1 1 14 14 C C5 C 13 97.872 0.000 . . . . . . 14 C C5 . 6543 1
134 . 1 1 14 14 C C6 C 13 141.309 0.000 . . . . . . 14 C C6 . 6543 1
135 . 1 1 14 14 C N3 N 15 164.772 0.000 . . . . . . 14 C N3 . 6543 1
136 . 1 1 15 15 U H5 H 1 5.360 0.004 . . . . . . 15 U H5 . 6543 1
137 . 1 1 15 15 U H6 H 1 7.867 0.005 . . . . . . 15 U H6 . 6543 1
138 . 1 1 15 15 U H1' H 1 5.469 0.003 . . . . . . 15 U H1' . 6543 1
139 . 1 1 15 15 U H2' H 1 4.368 0.001 . . . . . . 15 U H2' . 6543 1
140 . 1 1 15 15 U C5 C 13 103.108 0.000 . . . . . . 15 U C5 . 6543 1
141 . 1 1 15 15 U C6 C 13 142.189 0.000 . . . . . . 15 U C6 . 6543 1
142 . 1 1 15 15 U C1' C 13 93.978 0.000 . . . . . . 15 U C1' . 6543 1
143 . 1 1 15 15 U H3 H 1 13.868 0.004 . . . . . . 15 U U3 . 6543 1
144 . 1 1 16 16 U H3 H 1 13.709 0.005 . . . . . . 16 U H3 . 6543 1
145 . 1 1 16 16 U H5 H 1 5.532 0.003 . . . . . . 16 U H5 . 6543 1
146 . 1 1 16 16 U H6 H 1 8.015 0.003 . . . . . . 16 U H6 . 6543 1
147 . 1 1 16 16 U H1' H 1 5.581 0.000 . . . . . . 16 U H1' . 6543 1
148 . 1 1 16 16 U H2' H 1 4.405 0.008 . . . . . . 16 U H2' . 6543 1
149 . 1 1 16 16 U C5 C 13 102.948 0.000 . . . . . . 16 U C5 . 6543 1
150 . 1 1 16 16 U C6 C 13 142.688 0.000 . . . . . . 16 U C6 . 6543 1
151 . 1 1 16 16 U C1' C 13 93.739 0.000 . . . . . . 16 U C1' . 6543 1
152 . 1 1 17 17 C H5 H 1 5.545 0.001 . . . . . . 17 C H5 . 6543 1
153 . 1 1 17 17 C H6 H 1 7.834 0.002 . . . . . . 17 C H6 . 6543 1
154 . 1 1 17 17 C H1' H 1 5.445 0.000 . . . . . . 17 C H1' . 6543 1
155 . 1 1 17 17 C H2' H 1 4.178 0.000 . . . . . . 17 C H2' . 6543 1
156 . 1 1 17 17 C H41 H 1 8.250 0.000 . . . . . . 17 C H41 . 6543 1
157 . 1 1 17 17 C H42 H 1 6.902 0.000 . . . . . . 17 C H42 . 6543 1
158 . 1 1 17 17 C C5 C 13 97.163 0.000 . . . . . . 17 C C5 . 6543 1
159 . 1 1 17 17 C C6 C 13 141.799 0.000 . . . . . . 17 C C6 . 6543 1
160 . 1 1 17 17 C N3 N 15 165.181 0.000 . . . . . . 17 C N3 . 6543 1
161 . 1 1 18 18 C H5 H 1 5.306 0.005 . . . . . . 18 C H5 . 6543 1
162 . 1 1 18 18 C H6 H 1 7.689 0.003 . . . . . . 18 C H6 . 6543 1
163 . 1 1 18 18 C H1' H 1 5.336 0.001 . . . . . . 18 C H1' . 6543 1
164 . 1 1 18 18 C H2' H 1 4.256 0.000 . . . . . . 18 C H2' . 6543 1
165 . 1 1 18 18 C H3' H 1 4.397 0.003 . . . . . . 18 C H3' . 6543 1
166 . 1 1 18 18 C H4' H 1 4.299 0.002 . . . . . . 18 C H4' . 6543 1
167 . 1 1 18 18 C H5' H 1 4.494 0.005 . . . . . . 18 C H5' . 6543 1
168 . 1 1 18 18 C H5'' H 1 3.988 0.002 . . . . . . 18 C H5'' . 6543 1
169 . 1 1 18 18 C H41 H 1 8.262 0.000 . . . . . . 18 C H41 . 6543 1
170 . 1 1 18 18 C H42 H 1 6.732 0.000 . . . . . . 18 C H42 . 6543 1
171 . 1 1 18 18 C C5 C 13 97.330 0.000 . . . . . . 18 C C5 . 6543 1
172 . 1 1 18 18 C C6 C 13 141.363 0.000 . . . . . . 18 C C6 . 6543 1
173 . 1 1 18 18 C N3 N 15 164.747 0.000 . . . . . . 18 C N3 . 6543 1
174 . 1 1 19 19 C H5 H 1 5.116 0.004 . . . . . . 19 C H5 . 6543 1
175 . 1 1 19 19 C H6 H 1 7.470 0.002 . . . . . . 19 C H6 . 6543 1
176 . 1 1 19 19 C H1' H 1 5.380 0.003 . . . . . . 19 C H1' . 6543 1
177 . 1 1 19 19 C H2' H 1 4.564 0.001 . . . . . . 19 C H2' . 6543 1
178 . 1 1 19 19 C H3' H 1 4.335 0.002 . . . . . . 19 C H3' . 6543 1
179 . 1 1 19 19 C H4' H 1 4.315 0.000 . . . . . . 19 C H4' . 6543 1
180 . 1 1 19 19 C H42 H 1 6.618 0.000 . . . . . . 19 C H42 . 6543 1
181 . 1 1 19 19 C C5 C 13 96.973 0.000 . . . . . . 19 C C5 . 6543 1
182 . 1 1 19 19 C C6 C 13 142.949 0.000 . . . . . . 19 C C6 . 6543 1
183 . 1 1 19 19 C N3 N 15 164.113 0.000 . . . . . . 19 C N3 . 6543 1
184 . 1 1 20 20 A H2 H 1 7.563 0.000 . . . . . . 20 A H2 . 6543 1
185 . 1 1 20 20 A H8 H 1 8.014 0.004 . . . . . . 20 A H8 . 6543 1
186 . 1 1 20 20 A H1' H 1 5.670 0.004 . . . . . . 20 A H1' . 6543 1
187 . 1 1 20 20 A H2' H 1 4.372 0.001 . . . . . . 20 A H2' . 6543 1
188 . 1 1 20 20 A H3' H 1 4.564 0.000 . . . . . . 20 A H3' . 6543 1
189 . 1 1 20 20 A C2 C 13 154.190 0.000 . . . . . . 20 A C2 . 6543 1
190 . 1 1 20 20 A C8 C 13 139.869 0.000 . . . . . . 20 A C8 . 6543 1
191 . 1 1 20 20 A C1' C 13 93.391 0.000 . . . . . . 20 A C1' . 6543 1
192 . 1 1 21 21 C H5 H 1 5.412 0.001 . . . . . . 21 C H5 . 6543 1
193 . 1 1 21 21 C H6 H 1 7.426 0.001 . . . . . . 21 C H6 . 6543 1
194 . 1 1 21 21 C H1' H 1 5.582 0.001 . . . . . . 21 C H1' . 6543 1
195 . 1 1 21 21 C H2' H 1 3.975 0.003 . . . . . . 21 C H2' . 6543 1
196 . 1 1 21 21 C H3' H 1 4.270 0.001 . . . . . . 21 C H3' . 6543 1
197 . 1 1 21 21 C H4' H 1 3.613 0.001 . . . . . . 21 C H4' . 6543 1
198 . 1 1 21 21 C H5'' H 1 3.758 0.003 . . . . . . 21 C H5'' . 6543 1
199 . 1 1 22 22 A H2 H 1 7.959 0.012 . . . . . . 22 A H2 . 6543 1
200 . 1 1 22 22 A H8 H 1 8.075 0.004 . . . . . . 22 A H8 . 6543 1
201 . 1 1 22 22 A H1' H 1 5.764 0.003 . . . . . . 22 A H1' . 6543 1
202 . 1 1 22 22 A H2' H 1 4.519 0.002 . . . . . . 22 A H2' . 6543 1
203 . 1 1 22 22 A H3' H 1 4.639 0.000 . . . . . . 22 A H3' . 6543 1
204 . 1 1 22 22 A H4' H 1 4.315 0.002 . . . . . . 22 A H4' . 6543 1
205 . 1 1 22 22 A H5'' H 1 3.779 0.001 . . . . . . 22 A H5'' . 6543 1
206 . 1 1 22 22 A C2 C 13 154.808 0.000 . . . . . . 22 A C2 . 6543 1
207 . 1 1 22 22 A C8 C 13 141.629 0.000 . . . . . . 22 A C8 . 6543 1
208 . 1 1 22 22 A C1' C 13 90.094 0.000 . . . . . . 22 A C1' . 6543 1
209 . 1 1 23 23 A H2 H 1 8.039 0.007 . . . . . . 23 A H2 . 6543 1
210 . 1 1 23 23 A H8 H 1 8.320 0.000 . . . . . . 23 A H8 . 6543 1
211 . 1 1 23 23 A H1' H 1 6.054 0.001 . . . . . . 23 A H1' . 6543 1
212 . 1 1 23 23 A H2' H 1 4.766 0.000 . . . . . . 23 A H2' . 6543 1
213 . 1 1 23 23 A H3' H 1 4.900 0.001 . . . . . . 23 A H3' . 6543 1
214 . 1 1 23 23 A H4' H 1 4.543 0.000 . . . . . . 23 A H4' . 6543 1
215 . 1 1 23 23 A H5' H 1 4.289 0.001 . . . . . . 23 A H5' . 6543 1
216 . 1 1 23 23 A C2 C 13 155.124 0.000 . . . . . . 23 A C2 . 6543 1
217 . 1 1 23 23 A C8 C 13 141.966 0.000 . . . . . . 23 A C8 . 6543 1
218 . 1 1 23 23 A C1' C 13 90.608 0.000 . . . . . . 23 A C1' . 6543 1
219 . 1 1 24 24 G H1 H 1 12.033 0.006 . . . . . . 24 G H1 . 6543 1
220 . 1 1 24 24 G H8 H 1 7.647 0.012 . . . . . . 24 G H8 . 6543 1
221 . 1 1 24 24 G H1' H 1 5.009 0.052 . . . . . . 24 G H1' . 6543 1
222 . 1 1 24 24 G H2' H 1 4.526 0.001 . . . . . . 24 G H2' . 6543 1
223 . 1 1 24 24 G H3' H 1 4.237 0.000 . . . . . . 24 G H3' . 6543 1
224 . 1 1 24 24 G H4' H 1 4.432 0.002 . . . . . . 24 G H4' . 6543 1
225 . 1 1 24 24 G H21 H 1 7.711 0.000 . . . . . . 24 G H21 . 6543 1
226 . 1 1 24 24 G H22 H 1 5.738 0.000 . . . . . . 24 G H22 . 6543 1
227 . 1 1 24 24 G C8 C 13 137.423 0.000 . . . . . . 24 G C8 . 6543 1
228 . 1 1 24 24 G C1' C 13 92.511 0.000 . . . . . . 24 G C1' . 6543 1
229 . 1 1 24 24 G N1 N 15 144.522 0.000 . . . . . . 24 G N1 . 6543 1
230 . 1 1 25 25 G H1 H 1 12.346 0.006 . . . . . . 25 G H1 . 6543 1
231 . 1 1 25 25 G H8 H 1 7.155 0.006 . . . . . . 25 G H8 . 6543 1
232 . 1 1 25 25 G H1' H 1 5.739 0.003 . . . . . . 25 G H1' . 6543 1
233 . 1 1 25 25 G H2' H 1 4.397 0.000 . . . . . . 25 G H2' . 6543 1
234 . 1 1 25 25 G H3' H 1 4.528 0.000 . . . . . . 25 G H3' . 6543 1
235 . 1 1 25 25 G H4' H 1 4.570 0.000 . . . . . . 25 G H4' . 6543 1
236 . 1 1 25 25 G H5'' H 1 4.011 0.000 . . . . . . 25 G H5'' . 6543 1
237 . 1 1 25 25 G H21 H 1 8.228 0.000 . . . . . . 25 G H21 . 6543 1
238 . 1 1 25 25 G H22 H 1 5.851 0.000 . . . . . . 25 G H22 . 6543 1
239 . 1 1 25 25 G C8 C 13 136.127 0.000 . . . . . . 25 G C8 . 6543 1
240 . 1 1 25 25 G N1 N 15 144.752 0.000 . . . . . . 25 G N1 . 6543 1
241 . 1 1 26 26 G H1 H 1 12.109 0.005 . . . . . . 26 G H1 . 6543 1
242 . 1 1 26 26 G H8 H 1 7.044 0.003 . . . . . . 26 G H8 . 6543 1
243 . 1 1 26 26 G H1' H 1 5.679 0.001 . . . . . . 26 G H1' . 6543 1
244 . 1 1 26 26 G H2' H 1 4.535 0.001 . . . . . . 26 G H2' . 6543 1
245 . 1 1 26 26 G H21 H 1 7.863 0.000 . . . . . . 26 G H21 . 6543 1
246 . 1 1 26 26 G C8 C 13 136.039 0.000 . . . . . . 26 G C8 . 6543 1
247 . 1 1 26 26 G N1 N 15 144.694 0.000 . . . . . . 26 G N1 . 6543 1
248 . 1 1 27 27 A H2 H 1 7.045 0.005 . . . . . . 27 A H2 . 6543 1
249 . 1 1 27 27 A H8 H 1 7.556 0.006 . . . . . . 27 A H8 . 6543 1
250 . 1 1 27 27 A H1' H 1 5.833 0.003 . . . . . . 27 A H1' . 6543 1
251 . 1 1 27 27 A H2' H 1 4.551 0.000 . . . . . . 27 A H2' . 6543 1
252 . 1 1 27 27 A H3' H 1 4.474 0.000 . . . . . . 27 A H3' . 6543 1
253 . 1 1 27 27 A H4' H 1 4.431 0.000 . . . . . . 27 A H4' . 6543 1
254 . 1 1 27 27 A H5' H 1 4.038 0.000 . . . . . . 27 A H5' . 6543 1
255 . 1 1 27 27 A H61 H 1 7.742 0.000 . . . . . . 27 A H61 . 6543 1
256 . 1 1 27 27 A H62 H 1 6.589 0.000 . . . . . . 27 A H62 . 6543 1
257 . 1 1 27 27 A C2 C 13 152.827 0.000 . . . . . . 27 A C2 . 6543 1
258 . 1 1 27 27 A C8 C 13 138.903 0.000 . . . . . . 27 A C8 . 6543 1
259 . 1 1 27 27 A C1' C 13 93.128 0.000 . . . . . . 27 A C1' . 6543 1
260 . 1 1 28 28 A H2 H 1 7.399 0.005 . . . . . . 28 A H2 . 6543 1
261 . 1 1 28 28 A H8 H 1 7.557 0.004 . . . . . . 28 A H8 . 6543 1
262 . 1 1 28 28 A H1' H 1 5.808 0.007 . . . . . . 28 A H1' . 6543 1
263 . 1 1 28 28 A H2' H 1 4.556 0.000 . . . . . . 28 A H2' . 6543 1
264 . 1 1 28 28 A H3' H 1 4.475 0.000 . . . . . . 28 A H3' . 6543 1
265 . 1 1 28 28 A H4' H 1 4.414 0.000 . . . . . . 28 A H4' . 6543 1
266 . 1 1 28 28 A H5' H 1 4.038 0.000 . . . . . . 28 A H5' . 6543 1
267 . 1 1 28 28 A H61 H 1 7.856 0.000 . . . . . . 28 A H61 . 6543 1
268 . 1 1 28 28 A H62 H 1 6.565 0.000 . . . . . . 28 A H62 . 6543 1
269 . 1 1 28 28 A C2 C 13 153.007 0.000 . . . . . . 28 A C2 . 6543 1
270 . 1 1 28 28 A C8 C 13 139.146 0.000 . . . . . . 28 A C8 . 6543 1
271 . 1 1 28 28 A C1' C 13 92.825 0.000 . . . . . . 28 A C1' . 6543 1
272 . 1 1 29 29 G H1 H 1 12.865 0.005 . . . . . . 29 G H1 . 6543 1
273 . 1 1 29 29 G H8 H 1 6.965 0.008 . . . . . . 29 G H8 . 6543 1
274 . 1 1 29 29 G H1' H 1 5.499 0.000 . . . . . . 29 G H1' . 6543 1
275 . 1 1 29 29 G H2' H 1 4.454 0.000 . . . . . . 29 G H2' . 6543 1
276 . 1 1 29 29 G H3' H 1 4.322 0.001 . . . . . . 29 G H3' . 6543 1
277 . 1 1 29 29 G H4' H 1 4.383 0.000 . . . . . . 29 G H4' . 6543 1
278 . 1 1 29 29 G H5'' H 1 3.969 0.000 . . . . . . 29 G H5'' . 6543 1
279 . 1 1 29 29 G H21 H 1 8.309 0.000 . . . . . . 29 G H21 . 6543 1
280 . 1 1 29 29 G H22 H 1 6.015 0.000 . . . . . . 29 G H22 . 6543 1
281 . 1 1 29 29 G C8 C 13 135.647 0.000 . . . . . . 29 G C8 . 6543 1
282 . 1 1 29 29 G N1 N 15 144.765 0.000 . . . . . . 29 G N1 . 6543 1
283 . 1 1 30 30 G H1 H 1 13.261 0.005 . . . . . . 30 G H1 . 6543 1
284 . 1 1 30 30 G H8 H 1 7.165 0.001 . . . . . . 30 G H8 . 6543 1
285 . 1 1 30 30 G H1' H 1 5.676 0.001 . . . . . . 30 G H1' . 6543 1
286 . 1 1 30 30 G H2' H 1 4.443 0.000 . . . . . . 30 G H2' . 6543 1
287 . 1 1 30 30 G H21 H 1 8.333 0.000 . . . . . . 30 G H21 . 6543 1
288 . 1 1 30 30 G H22 H 1 5.446 0.000 . . . . . . 30 G H22 . 6543 1
289 . 1 1 30 30 G C8 C 13 135.956 0.000 . . . . . . 30 G C8 . 6543 1
290 . 1 1 30 30 G N1 N 15 145.248 0.000 . . . . . . 30 G N1 . 6543 1
291 . 1 1 31 31 C H5 H 1 5.128 0.005 . . . . . . 31 C H5 . 6543 1
292 . 1 1 31 31 C H6 H 1 7.519 0.002 . . . . . . 31 C H6 . 6543 1
293 . 1 1 31 31 C H1' H 1 5.451 0.001 . . . . . . 31 C H1' . 6543 1
294 . 1 1 31 31 C H2' H 1 4.371 0.000 . . . . . . 31 C H2' . 6543 1
295 . 1 1 31 31 C H41 H 1 8.541 0.000 . . . . . . 31 C H41 . 6543 1
296 . 1 1 31 31 C H42 H 1 6.840 0.000 . . . . . . 31 C H42 . 6543 1
297 . 1 1 31 31 C C5 C 13 97.462 0.000 . . . . . . 31 C C5 . 6543 1
298 . 1 1 31 31 C C6 C 13 140.841 0.000 . . . . . . 31 C C6 . 6543 1
299 . 1 1 31 31 C N3 N 15 165.032 0.000 . . . . . . 31 C N3 . 6543 1
300 . 1 1 32 32 C H2' H 1 4.443 0.000 . . . . . . 32 A H2' . 6543 1
301 . 1 1 32 32 C H5 H 1 5.453 0.002 . . . . . . 32 C H5 . 6543 1
302 . 1 1 32 32 C H6 H 1 7.627 0.002 . . . . . . 32 C H6 . 6543 1
303 . 1 1 32 32 C H1' H 1 5.383 0.000 . . . . . . 32 C H1' . 6543 1
304 . 1 1 32 32 C H41 H 1 8.331 0.000 . . . . . . 32 C H41 . 6543 1
305 . 1 1 32 32 C H42 H 1 6.828 0.000 . . . . . . 32 C H42 . 6543 1
306 . 1 1 32 32 C C6 C 13 140.799 0.000 . . . . . . 32 C C6 . 6543 1
307 . 1 1 32 32 C N3 N 15 164.501 0.000 . . . . . . 32 C N3 . 6543 1
308 . 1 1 33 33 A H2 H 1 6.946 0.007 . . . . . . 33 A H2 . 6543 1
309 . 1 1 33 33 A H8 H 1 7.942 0.004 . . . . . . 33 A H8 . 6543 1
310 . 1 1 33 33 A H1' H 1 5.815 0.003 . . . . . . 33 A H1' . 6543 1
311 . 1 1 33 33 A H2' H 1 4.600 0.001 . . . . . . 33 A H2' . 6543 1
312 . 1 1 33 33 A H3' H 1 4.450 0.000 . . . . . . 33 A H3' . 6543 1
313 . 1 1 33 33 A H4' H 1 4.396 0.000 . . . . . . 33 A H4' . 6543 1
314 . 1 1 33 33 A H5' H 1 4.060 0.000 . . . . . . 33 A H5' . 6543 1
315 . 1 1 33 33 A C2 C 13 152.483 0.000 . . . . . . 33 A C2 . 6543 1
316 . 1 1 33 33 A C8 C 13 139.404 0.000 . . . . . . 33 A C8 . 6543 1
317 . 1 1 33 33 A C1' C 13 92.983 0.000 . . . . . . 33 A C1' . 6543 1
318 . 1 1 34 34 G H1 H 1 12.819 0.007 . . . . . . 34 G H1 . 6543 1
319 . 1 1 34 34 G H8 H 1 6.910 0.005 . . . . . . 34 G H8 . 6543 1
320 . 1 1 34 34 G H1' H 1 5.374 0.001 . . . . . . 34 G H1' . 6543 1
321 . 1 1 34 34 G H2' H 1 4.305 0.000 . . . . . . 34 G H2' . 6543 1
322 . 1 1 34 34 G H3' H 1 4.214 0.003 . . . . . . 34 G H3' . 6543 1
323 . 1 1 34 34 G H5' H 1 3.928 0.001 . . . . . . 34 G H5' . 6543 1
324 . 1 1 34 34 G H21 H 1 8.351 0.000 . . . . . . 34 G H21 . 6543 1
325 . 1 1 34 34 G H22 H 1 5.921 0.000 . . . . . . 34 G H22 . 6543 1
326 . 1 1 34 34 G C8 C 13 135.637 0.000 . . . . . . 34 G C8 . 6543 1
327 . 1 1 34 34 G N1 N 15 144.836 0.000 . . . . . . 34 G N1 . 6543 1
328 . 1 1 35 35 G H1 H 1 10.429 0.003 . . . . . . 35 G H1 . 6543 1
329 . 1 1 35 35 G H8 H 1 7.086 0.005 . . . . . . 35 G H8 . 6543 1
330 . 1 1 35 35 G H1' H 1 5.378 0.001 . . . . . . 35 G H1' . 6543 1
331 . 1 1 35 35 G H2' H 1 4.045 0.001 . . . . . . 35 G H2' . 6543 1
332 . 1 1 35 35 G H3' H 1 4.377 0.001 . . . . . . 35 G H3' . 6543 1
333 . 1 1 35 35 G H4' H 1 4.141 0.001 . . . . . . 35 G H4' . 6543 1
334 . 1 1 35 35 G H5' H 1 3.867 0.000 . . . . . . 35 G H5' . 6543 1
335 . 1 1 35 35 G C8 C 13 136.069 0.000 . . . . . . 35 G C8 . 6543 1
336 . 1 1 36 36 G H1 H 1 10.358 0.008 . . . . . . 36 G H1 . 6543 1
337 . 1 1 36 36 G H8 H 1 7.510 0.005 . . . . . . 36 G H8 . 6543 1
338 . 1 1 36 36 G H1' H 1 5.275 0.002 . . . . . . 36 G H1' . 6543 1
339 . 1 1 36 36 G H2' H 1 4.548 0.001 . . . . . . 36 G H2' . 6543 1
340 . 1 1 36 36 G H3' H 1 4.590 0.000 . . . . . . 36 G H3' . 6543 1
341 . 1 1 36 36 G H4' H 1 4.243 0.001 . . . . . . 36 G H4' . 6543 1
342 . 1 1 36 36 G H5' H 1 4.013 0.003 . . . . . . 36 G H5' . 6543 1
343 . 1 1 36 36 G H5'' H 1 3.905 0.001 . . . . . . 36 G H5'' . 6543 1
344 . 1 1 36 36 G C8 C 13 139.619 0.000 . . . . . . 36 G C8 . 6543 1
345 . 1 1 36 36 G C1' C 13 93.983 0.000 . . . . . . 36 G C1' . 6543 1
346 . 1 1 37 37 A H2 H 1 7.834 0.009 . . . . . . 37 A H2 . 6543 1
347 . 1 1 37 37 A H8 H 1 8.092 0.045 . . . . . . 37 A H8 . 6543 1
348 . 1 1 37 37 A H1' H 1 5.759 0.006 . . . . . . 37 A H1' . 6543 1
349 . 1 1 37 37 A H2' H 1 4.449 0.001 . . . . . . 37 A H2' . 6543 1
350 . 1 1 37 37 A H3' H 1 4.504 0.000 . . . . . . 37 A H3' . 6543 1
351 . 1 1 37 37 A H4' H 1 4.431 0.000 . . . . . . 37 A H4' . 6543 1
352 . 1 1 37 37 A H5' H 1 4.130 0.001 . . . . . . 37 A H5' . 6543 1
353 . 1 1 37 37 A C2 C 13 154.686 0.000 . . . . . . 37 A C2 . 6543 1
354 . 1 1 37 37 A C8 C 13 141.202 0.427 . . . . . . 37 A C8 . 6543 1
355 . 1 1 37 37 A C1' C 13 90.383 0.000 . . . . . . 37 A C1' . 6543 1
356 . 1 1 38 38 A H2 H 1 7.935 0.007 . . . . . . 38 A H2 . 6543 1
357 . 1 1 38 38 A H8 H 1 8.274 0.017 . . . . . . 38 A H8 . 6543 1
358 . 1 1 38 38 A H1' H 1 5.666 0.003 . . . . . . 38 A H1' . 6543 1
359 . 1 1 38 38 A H2' H 1 4.682 0.002 . . . . . . 38 A H2' . 6543 1
360 . 1 1 38 38 A H3' H 1 4.636 0.002 . . . . . . 38 A H3' . 6543 1
361 . 1 1 38 38 A H5' H 1 4.179 0.002 . . . . . . 38 A H5' . 6543 1
362 . 1 1 38 38 A C2 C 13 154.808 0.000 . . . . . . 38 A C2 . 6543 1
363 . 1 1 38 38 A C1' C 13 89.845 0.000 . . . . . . 38 A C1' . 6543 1
364 . 1 1 39 39 U H3 H 1 14.010 0.005 . . . . . . 39 U H3 . 6543 1
365 . 1 1 39 39 U H5 H 1 5.113 0.002 . . . . . . 39 U H5 . 6543 1
366 . 1 1 39 39 U H6 H 1 7.639 0.007 . . . . . . 39 U H6 . 6543 1
367 . 1 1 39 39 U H1' H 1 5.563 0.001 . . . . . . 39 U H1' . 6543 1
368 . 1 1 39 39 U H2' H 1 4.445 0.001 . . . . . . 39 U H2' . 6543 1
369 . 1 1 39 39 U H3' H 1 4.383 0.000 . . . . . . 39 U H3' . 6543 1
370 . 1 1 39 39 U H4' H 1 4.473 0.001 . . . . . . 39 U H4' . 6543 1
371 . 1 1 39 39 U H5' H 1 4.223 0.003 . . . . . . 39 U H5' . 6543 1
372 . 1 1 39 39 U C5 C 13 103.182 0.000 . . . . . . 39 U C5 . 6543 1
373 . 1 1 39 39 U C6 C 13 142.323 0.000 . . . . . . 39 U C6 . 6543 1
374 . 1 1 39 39 U C1' C 13 93.577 0.000 . . . . . . 39 U C1' . 6543 1
375 . 1 1 40 40 C H6 H 1 7.845 0.014 . . . . . . 40 U H6 . 6543 1
376 . 1 1 40 40 C H5 H 1 5.599 0.004 . . . . . . 40 C H5 . 6543 1
377 . 1 1 40 40 C H1' H 1 5.571 0.004 . . . . . . 40 C H1' . 6543 1
378 . 1 1 40 40 C H2' H 1 4.303 0.000 . . . . . . 40 C H2' . 6543 1
379 . 1 1 40 40 C H41 H 1 8.366 0.000 . . . . . . 40 C H41 . 6543 1
380 . 1 1 40 40 C H42 H 1 6.933 0.000 . . . . . . 40 C H42 . 6543 1
381 . 1 1 40 40 C C5 C 13 97.595 0.000 . . . . . . 40 C C5 . 6543 1
382 . 1 1 40 40 C C6 C 13 141.725 0.000 . . . . . . 40 C C6 . 6543 1
383 . 1 1 40 40 C N3 N 15 164.890 0.000 . . . . . . 40 C N3 . 6543 1
384 . 1 1 41 41 U H3 H 1 13.853 0.003 . . . . . . 41 U H3 . 6543 1
385 . 1 1 41 41 U H5 H 1 5.345 0.001 . . . . . . 41 U H5 . 6543 1
386 . 1 1 41 41 U H6 H 1 7.852 0.001 . . . . . . 41 U H6 . 6543 1
387 . 1 1 41 41 U H1' H 1 5.461 0.002 . . . . . . 41 U H1' . 6543 1
388 . 1 1 41 41 U H2' H 1 4.389 0.000 . . . . . . 41 U H2' . 6543 1
389 . 1 1 41 41 U C5 C 13 103.253 0.000 . . . . . . 41 U C5 . 6543 1
390 . 1 1 41 41 U C1' C 13 93.769 0.000 . . . . . . 41 U C1' . 6543 1
391 . 1 1 42 42 U H3 H 1 13.679 0.005 . . . . . . 42 U H3 . 6543 1
392 . 1 1 42 42 U H5 H 1 5.524 0.002 . . . . . . 42 U H5 . 6543 1
393 . 1 1 42 42 U H6 H 1 7.990 0.007 . . . . . . 42 U H6 . 6543 1
394 . 1 1 42 42 U H1' H 1 5.580 0.001 . . . . . . 42 U H1' . 6543 1
395 . 1 1 42 42 U H2' H 1 4.484 0.002 . . . . . . 42 U H2' . 6543 1
396 . 1 1 42 42 U H3' H 1 4.368 0.000 . . . . . . 42 U H3' . 6543 1
397 . 1 1 42 42 U H4' H 1 4.401 0.000 . . . . . . 42 U H4' . 6543 1
398 . 1 1 42 42 U C5 C 13 102.948 0.000 . . . . . . 42 U C5 . 6543 1
399 . 1 1 42 42 U C6 C 13 142.676 0.000 . . . . . . 42 U C6 . 6543 1
400 . 1 1 42 42 U C1' C 13 93.418 0.000 . . . . . . 42 U C1' . 6543 1
401 . 1 1 43 43 C H5 H 1 5.563 0.000 . . . . . . 43 C H5 . 6543 1
402 . 1 1 43 43 C H6 H 1 7.828 0.004 . . . . . . 43 C H6 . 6543 1
403 . 1 1 43 43 C H1' H 1 5.448 0.002 . . . . . . 43 C H1' . 6543 1
404 . 1 1 43 43 C H2' H 1 4.219 0.001 . . . . . . 43 C H2' . 6543 1
405 . 1 1 43 43 C H41 H 1 8.259 0.000 . . . . . . 43 C H41 . 6543 1
406 . 1 1 43 43 C H42 H 1 6.918 0.000 . . . . . . 43 C H42 . 6543 1
407 . 1 1 43 43 C C5 C 13 97.173 0.000 . . . . . . 43 C C5 . 6543 1
408 . 1 1 43 43 C C6 C 13 141.778 0.000 . . . . . . 43 C C6 . 6543 1
409 . 1 1 43 43 C N3 N 15 165.227 0.000 . . . . . . 43 C N3 . 6543 1
410 . 1 1 44 44 C H5 H 1 5.374 0.002 . . . . . . 44 C H5 . 6543 1
411 . 1 1 44 44 C H6 H 1 7.716 0.002 . . . . . . 44 C H6 . 6543 1
412 . 1 1 44 44 C H1' H 1 5.374 0.000 . . . . . . 44 C H1' . 6543 1
413 . 1 1 44 44 C H2' H 1 4.159 0.000 . . . . . . 44 C H2' . 6543 1
414 . 1 1 44 44 C C5 C 13 97.342 0.000 . . . . . . 44 C C5 . 6543 1
415 . 1 1 44 44 C C6 C 13 141.416 0.000 . . . . . . 44 C C6 . 6543 1
416 . 1 1 44 44 C N3 N 15 164.903 0.000 . . . . . . 44 C N3 . 6543 1
417 . 1 1 45 45 C H5 H 1 5.397 0.002 . . . . . . 45 C H5 . 6543 1
418 . 1 1 45 45 C H6 H 1 7.595 0.002 . . . . . . 45 C H6 . 6543 1
419 . 1 1 45 45 C H1' H 1 5.678 0.000 . . . . . . 45 C H1' . 6543 1
420 . 1 1 45 45 C H2' H 1 3.931 0.000 . . . . . . 45 C H2' . 6543 1
421 . 1 1 45 45 C C5 C 13 97.870 0.000 . . . . . . 45 C C5 . 6543 1
422 . 1 1 45 45 C C6 C 13 141.831 0.000 . . . . . . 45 C C6 . 6543 1
423 . 1 1 45 45 C N3 N 15 164.838 0.000 . . . . . . 45 C N3 . 6543 1
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