data_5671
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5671
_Entry.Title
;
Overall structure and sugar dynamics of a DNA dodecamer from homo and
heteronuclear dipolar couplings and 31P chemical shift anisotropy
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2003-01-23
_Entry.Accession_date 2003-01-23
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_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 W. Zhengrong . . . 5671
2 F. Delaglio . . . 5671
3 N. Tjandra . . . 5671
4 V. Zhurkin . . . 5671
5 A. Bax . . . 5671
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 5671
coupling_constants 2 5671
RDCs 2 5671
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'31P chemical shifts' 22 5671
'coupling constants' 22 5671
'residual dipolar couplings' 636 5671
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
2 . . 2010-07-16 2003-01-23 update BMRB 'update DNA residue label to two-letter code' 5671
1 . . 2003-11-11 2003-01-23 original author 'original release' 5671
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1NAJ 'BMRB Entry Tracking System' 5671
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5671
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 22699281
_Citation.DOI .
_Citation.PubMed_ID 12815257
_Citation.Full_citation .
_Citation.Title
;
Overall Structure and Sugar Dynamics of a DNA Dodecamer from Homo-
and Heteronuclear Dipolar Couplings and 31P Chemical Shift Anisotropy
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 26
_Citation.Journal_issue 4
_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 297
_Citation.Page_last 315
_Citation.Year 2003
_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 Z. Wu . . . 5671 1
2 F. Delaglio . . . 5671 1
3 N. Tjandra . . . 5671 1
4 V. Zhurkin . B. . 5671 1
5 A. Bax . . . 5671 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Dickerson Dodecamer' 5671 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_Dodecamer
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_Dodecamer
_Assembly.Entry_ID 5671
_Assembly.ID 1
_Assembly.Name 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_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
dimer 5671 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 'Dodecamer, chain A' 1 $Dodecamer . . . native . . . . . 5671 1
2 'Dodecamer, chain B' 1 $Dodecamer . . . native . . . . . 5671 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1NAJ . . . . . . 5671 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' system 5671 1
Dodecamer abbreviation 5671 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Dodecamer
_Entity.Sf_category entity
_Entity.Sf_framecode Dodecamer
_Entity.Entry_ID 5671
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Dodecamer
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code CGCGAATTCGCG
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 12
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_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_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
Dodecamer abbreviation 5671 1
Dodecamer common 5671 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 . DC . 5671 1
2 . DG . 5671 1
3 . DC . 5671 1
4 . DG . 5671 1
5 . DA . 5671 1
6 . DA . 5671 1
7 . DT . 5671 1
8 . DT . 5671 1
9 . DC . 5671 1
10 . DG . 5671 1
11 . DC . 5671 1
12 . DG . 5671 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
. DC 1 1 5671 1
. DG 2 2 5671 1
. DC 3 3 5671 1
. DG 4 4 5671 1
. DA 5 5 5671 1
. DA 6 6 5671 1
. DT 7 7 5671 1
. DT 8 8 5671 1
. DC 9 9 5671 1
. DG 10 10 5671 1
. DC 11 11 5671 1
. DG 12 12 5671 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 5671
_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 $Dodecamer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5671 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 5671
_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 $Dodecamer . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5671 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5671
_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 Dodecamer . . . 1 $Dodecamer . . 0.5 . . mM . . . . 5671 1
2 'sodium phosphate' . . . . . . . 40 . . mM . . . . 5671 1
3 NaN3 . . . . . . . 0.04 . . % . . . . 5671 1
4 'DMPC/DHPC/CTAB (30/10/1)' . . . . . . . 5 . . % . . . . 5671 1
5 D2O . . . . . . . 100 . . % . . . . 5671 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 5671
_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 Dodecamer '[U-13C; U-15N]' . . 1 $Dodecamer . . 0.5 . . mM . . . . 5671 2
2 'sodium phosphate' . . . . . . . 40 . . mM . . . . 5671 2
3 NaN3 . . . . . . . 0.04 . . % . . . . 5671 2
4 'pf1 phage' . . . . . . . 20 . . mg/mL . . . . 5671 2
5 D2O . . . . . . . 10 . . % . . . . 5671 2
6 H2O . . . . . . . 90 . . % . . . . 5671 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 5671
_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
'ionic strength' 40 . mM 5671 1
pH 7.0 . n/a 5671 1
pressure 1 . atm 5671 1
temperature 308 . K 5671 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 5671
_Software.ID 1
_Software.Name NMRPipe
_Software.Version '1.7 REV 1999.039.11.31'
_Software.Details 'Delaglio, Frank'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5671 1
stop_
save_
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 5671
_Software.ID 2
_Software.Name xwinnmr
_Software.Version '2.4 and 2.6'
_Software.Details Bruker
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 5671 2
stop_
save_
save_X-PLOR
_Software.Sf_category software
_Software.Sf_framecode X-PLOR
_Software.Entry_ID 5671
_Software.ID 3
_Software.Name X-PLOR
_Software.Version 3.841
_Software.Details BRUNGER
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 5671 3
stop_
save_
save_CosyView
_Software.Sf_category software
_Software.Sf_framecode CosyView
_Software.Entry_ID 5671
_Software.ID 4
_Software.Name CosyView
_Software.Version .
_Software.Details 'Delaglio, Frank'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5671 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5671
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5671
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Bruker AVANCE . 800 . . . 5671 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 5671
_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 H-31P-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
2 'HP-ctNOESY-DIF COSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
3 COSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
4 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
5 13C-HSQC-J-MODULATED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
6 3C-HSQC-F1-COUPLED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
7 15N-HSQC-F1-COUPLED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name H-31P-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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name 'HP-ctNOESY-DIF COSY'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name COSY
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '2D NOESY'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name 13C-HSQC-J-MODULATED
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name 3C-HSQC-F1-COUPLED
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_
save_NMR_spec_expt__0_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 5671
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name 15N-HSQC-F1-COUPLED
_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 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_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_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5671
_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
P 31 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 5671 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5671
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 . 5671 1
. . 2 $sample_2 . 5671 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 2 2 DG P P 31 -8.447 2.0 . . . . . . . . . . 5671 1
2 . 1 1 3 3 DC P P 31 -9.414 2.0 . . . . . . . . . . 5671 1
3 . 1 1 4 4 DG P P 31 -20.919 2.0 . . . . . . . . . . 5671 1
4 . 1 1 5 5 DA P P 31 -45.291 2.0 . . . . . . . . . . 5671 1
5 . 1 1 6 6 DA P P 31 -18.054 2.0 . . . . . . . . . . 5671 1
6 . 1 1 7 7 DT P P 31 34.758 2.0 . . . . . . . . . . 5671 1
7 . 1 1 8 8 DT P P 31 47.785 2.0 . . . . . . . . . . 5671 1
8 . 1 1 9 9 DC P P 31 52.721 2.0 . . . . . . . . . . 5671 1
9 . 1 1 10 10 DG P P 31 39.862 2.0 . . . . . . . . . . 5671 1
10 . 1 1 11 11 DC P P 31 51.021 2.0 . . . . . . . . . . 5671 1
11 . 1 1 12 12 DG P P 31 47.102 2.0 . . . . . . . . . . 5671 1
stop_
save_
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5671
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 . 5671 2
. . 2 $sample_2 . 5671 2
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 . 2 1 2 2 DG P P 31 -8.447 2.0 . . . . . . . . . . 5671 2
2 . 2 1 3 3 DC P P 31 -9.414 2.0 . . . . . . . . . . 5671 2
3 . 2 1 4 4 DG P P 31 -20.919 2.0 . . . . . . . . . . 5671 2
4 . 2 1 5 5 DA P P 31 -45.291 2.0 . . . . . . . . . . 5671 2
5 . 2 1 6 6 DA P P 31 -18.054 2.0 . . . . . . . . . . 5671 2
6 . 2 1 7 7 DT P P 31 34.758 2.0 . . . . . . . . . . 5671 2
7 . 2 1 8 8 DT P P 31 47.785 2.0 . . . . . . . . . . 5671 2
8 . 2 1 9 9 DC P P 31 52.721 2.0 . . . . . . . . . . 5671 2
9 . 2 1 10 10 DG P P 31 39.862 2.0 . . . . . . . . . . 5671 2
10 . 2 1 11 11 DC P P 31 51.021 2.0 . . . . . . . . . . 5671 2
11 . 2 1 12 12 DG P P 31 47.102 2.0 . . . . . . . . . . 5671 2
stop_
save_
########################
# Coupling constants #
########################
save_coupling_constants_set_1
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode coupling_constants_set_1
_Coupling_constant_list.Entry_ID 5671
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_cond_1
_Coupling_constant_list.Spectrometer_frequency_1H 800
_Coupling_constant_list.Details .
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
. . 1 $sample_1 . 5671 1
. . 2 $sample_2 . 5671 1
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JH3'P(i+1) . 1 1 1 1 DC H3' H 1 . . 1 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 1
2 3JH3'P(i+1) . 1 1 2 2 DG H3' H 1 . . 1 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 1
3 3JH3'P(i+1) . 1 1 3 3 DC H3' H 1 . . 1 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 1
4 3JH3'P(i+1) . 1 1 4 4 DG H3' H 1 . . 1 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 1
5 3JH3'P(i+1) . 1 1 5 5 DA H3' H 1 . . 1 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 1
6 3JH3'P(i+1) . 1 1 6 6 DA H3' H 1 . . 1 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 1
7 3JH3'P(i+1) . 1 1 7 7 DT H3' H 1 . . 1 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 1
8 3JH3'P(i+1) . 1 1 8 8 DT H3' H 1 . . 1 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 1
9 3JH3'P(i+1) . 1 1 9 9 DC H3' H 1 . . 1 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 1
10 3JH3'P(i+1) . 1 1 10 10 DG H3' H 1 . . 1 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 1
11 3JH3'P(i+1) . 1 1 11 11 DC H3' H 1 . . 1 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 1
stop_
save_
save_coupling_constants_set_2
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode coupling_constants_set_2
_Coupling_constant_list.Entry_ID 5671
_Coupling_constant_list.ID 2
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_cond_1
_Coupling_constant_list.Spectrometer_frequency_1H 800
_Coupling_constant_list.Details .
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
. . 1 $sample_1 . 5671 2
. . 2 $sample_2 . 5671 2
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JH3'P(i+1) . 2 1 1 1 DC H3' H 1 . . 2 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 2
2 3JH3'P(i+1) . 2 1 2 2 DG H3' H 1 . . 2 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 2
3 3JH3'P(i+1) . 2 1 3 3 DC H3' H 1 . . 2 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 2
4 3JH3'P(i+1) . 2 1 4 4 DG H3' H 1 . . 2 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 2
5 3JH3'P(i+1) . 2 1 5 5 DA H3' H 1 . . 2 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 2
6 3JH3'P(i+1) . 2 1 6 6 DA H3' H 1 . . 2 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 2
7 3JH3'P(i+1) . 2 1 7 7 DT H3' H 1 . . 2 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 2
8 3JH3'P(i+1) . 2 1 8 8 DT H3' H 1 . . 2 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 2
9 3JH3'P(i+1) . 2 1 9 9 DC H3' H 1 . . 2 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 2
10 3JH3'P(i+1) . 2 1 10 10 DG H3' H 1 . . 2 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 2
11 3JH3'P(i+1) . 2 1 11 11 DC H3' H 1 . . 2 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 2
stop_
save_
################################
# Residual dipolar couplings #
################################
save_residual_dipolar_couplings_1
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode residual_dipolar_couplings_1
_RDC_list.Entry_ID 5671
_RDC_list.ID 1
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_cond_1
_RDC_list.Spectrometer_frequency_1H 800
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
. . 1 $sample_1 . 5671 1
. . 2 $sample_2 . 5671 1
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC C6 C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 1
2 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC C5 C 13 . 14.53 . . 0.200 . . . . . . . . . . . 5671 1
3 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG C8 C 13 . 6.95 . . 0.200 . . . . . . . . . . . 5671 1
4 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC C6 C 13 . 17.95 . . 0.200 . . . . . . . . . . . 5671 1
5 . . 1 1 3 3 DC H5 H 1 . . 1 1 3 3 DC C5 C 13 . 4.26 . . 0.200 . . . . . . . . . . . 5671 1
6 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG C8 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 1
7 . . 1 1 5 5 DA H2 H 1 . . 1 1 5 5 DA C2 C 13 . 21.36 . . 0.200 . . . . . . . . . . . 5671 1
8 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA C8 C 13 . 22.31 . . 0.200 . . . . . . . . . . . 5671 1
9 . . 1 1 6 6 DA H2 H 1 . . 1 1 6 6 DA C2 C 13 . 22.99 . . 0.200 . . . . . . . . . . . 5671 1
10 . . 1 1 6 6 DA H8 H 1 . . 1 1 6 6 DA C8 C 13 . 17.73 . . 0.200 . . . . . . . . . . . 5671 1
11 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT C6 C 13 . 10.68 . . 0.200 . . . . . . . . . . . 5671 1
12 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 1
13 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 1
14 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC C5 C 13 . 8.73 . . 0.200 . . . . . . . . . . . 5671 1
15 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG C8 C 13 . 19.93 . . 0.200 . . . . . . . . . . . 5671 1
16 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC C6 C 13 . 10.86 . . 0.200 . . . . . . . . . . . 5671 1
17 . . 1 1 11 11 DC H5 H 1 . . 1 1 11 11 DC C5 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 1
18 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG C8 C 13 . 2.42 . . 0.200 . . . . . . . . . . . 5671 1
19 . . 1 1 1 1 DC H2'' H 1 . . 1 1 1 1 DC C2' C 13 . 1.03 . . 0.200 . . . . . . . . . . . 5671 1
20 . . 1 1 2 2 DG H2'' H 1 . . 1 1 2 2 DG C2' C 13 . -17.53 . . 0.200 . . . . . . . . . . . 5671 1
21 . . 1 1 3 3 DC H2'' H 1 . . 1 1 3 3 DC C2' C 13 . -8.42 . . 0.200 . . . . . . . . . . . 5671 1
22 . . 1 1 4 4 DG H2'' H 1 . . 1 1 4 4 DG C2' C 13 . -24.41 . . 0.200 . . . . . . . . . . . 5671 1
23 . . 1 1 5 5 DA H2'' H 1 . . 1 1 5 5 DA C2' C 13 . -14.19 . . 0.200 . . . . . . . . . . . 5671 1
24 . . 1 1 6 6 DA H2'' H 1 . . 1 1 6 6 DA C2' C 13 . -16.15 . . 0.200 . . . . . . . . . . . 5671 1
25 . . 1 1 9 9 DC H2'' H 1 . . 1 1 9 9 DC C2' C 13 . -18.20 . . 0.200 . . . . . . . . . . . 5671 1
26 . . 1 1 10 10 DG H2'' H 1 . . 1 1 10 10 DG C2' C 13 . -23.86 . . 0.200 . . . . . . . . . . . 5671 1
27 . . 1 1 11 11 DC H2'' H 1 . . 1 1 11 11 DC C2' C 13 . -1.17 . . 0.200 . . . . . . . . . . . 5671 1
28 . . 1 1 12 12 DG H2'' H 1 . . 1 1 12 12 DG C2' C 13 . -4.84 . . 0.200 . . . . . . . . . . . 5671 1
29 . . 1 1 1 1 DC H5' H 1 . . 1 1 1 1 DC C5' C 13 . -5.57 . . 0.200 . . . . . . . . . . . 5671 1
30 . . 1 1 2 2 DG H5' H 1 . . 1 1 2 2 DG C5' C 13 . -20.71 . . 0.200 . . . . . . . . . . . 5671 1
31 . . 1 1 4 4 DG H5' H 1 . . 1 1 4 4 DG C5' C 13 . -22.05 . . 0.200 . . . . . . . . . . . 5671 1
32 . . 1 1 5 5 DA H5' H 1 . . 1 1 5 5 DA C5' C 13 . -18.57 . . 0.200 . . . . . . . . . . . 5671 1
33 . . 1 1 6 6 DA H5' H 1 . . 1 1 6 6 DA C5' C 13 . -21.86 . . 0.200 . . . . . . . . . . . 5671 1
34 . . 1 1 7 7 DT H5' H 1 . . 1 1 7 7 DT C5' C 13 . -20.23 . . 0.200 . . . . . . . . . . . 5671 1
35 . . 1 1 9 9 DC H5' H 1 . . 1 1 9 9 DC C5' C 13 . -32.09 . . 0.200 . . . . . . . . . . . 5671 1
36 . . 1 1 10 10 DG H5' H 1 . . 1 1 10 10 DG C5' C 13 . -25.94 . . 0.200 . . . . . . . . . . . 5671 1
37 . . 1 1 12 12 DG H5' H 1 . . 1 1 12 12 DG C5' C 13 . -28.56 . . 0.200 . . . . . . . . . . . 5671 1
38 . . 1 1 2 2 DG H1 H 1 . . 1 1 2 2 DG N1 N 15 . 7.26 . . 0.200 . . . . . . . . . . . 5671 1
39 . . 1 1 4 4 DG H1 H 1 . . 1 1 4 4 DG N1 N 15 . 12.94 . . 0.200 . . . . . . . . . . . 5671 1
40 . . 1 1 7 7 DT H3 H 1 . . 1 1 7 7 DT N3 N 15 . 4.72 . . 0.200 . . . . . . . . . . . 5671 1
41 . . 1 1 8 8 DT H3 H 1 . . 1 1 8 8 DT N3 N 15 . 9.82 . . 0.200 . . . . . . . . . . . 5671 1
42 . . 1 1 10 10 DG H1 H 1 . . 1 1 10 10 DG N1 N 15 . 7.11 . . 0.200 . . . . . . . . . . . 5671 1
43 . . 1 1 7 7 DT C5 C . . . 1 1 7 7 DT C7 C 13 . 14.82 . . 0.200 . . . . . . . . . . . 5671 1
44 . . 1 1 8 8 DT C5 C . . . 1 1 8 8 DT C7 C 13 . 11.03 . . 0.200 . . . . . . . . . . . 5671 1
45 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC C1' C 13 . 2.01 . . 0.200 . . . . . . . . . . . 5671 1
46 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG C1' C 13 . 8.50 . . 0.200 . . . . . . . . . . . 5671 1
47 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC C1' C 13 . 0.48 . . 0.200 . . . . . . . . . . . 5671 1
48 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG C1' C 13 . 13.61 . . 0.200 . . . . . . . . . . . 5671 1
49 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA C1' C 13 . 18.58 . . 0.200 . . . . . . . . . . . 5671 1
50 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA C1' C 13 . 16.15 . . 0.200 . . . . . . . . . . . 5671 1
51 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT C1' C 13 . 9.97 . . 0.200 . . . . . . . . . . . 5671 1
52 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT C1' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 1
53 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC C1' C 13 . 8.16 . . 0.200 . . . . . . . . . . . 5671 1
54 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG C1' C 13 . 15.25 . . 0.200 . . . . . . . . . . . 5671 1
55 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC C1' C 13 . 14.19 . . 0.200 . . . . . . . . . . . 5671 1
56 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG C1' C 13 . 11.02 . . 0.200 . . . . . . . . . . . 5671 1
57 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC C2' C 13 . 5.25 . . 0.200 . . . . . . . . . . . 5671 1
58 . . 1 1 2 2 DG H2' H 1 . . 1 1 2 2 DG C2' C 13 . 10.83 . . 0.200 . . . . . . . . . . . 5671 1
59 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC C2' C 13 . -8.43 . . 0.200 . . . . . . . . . . . 5671 1
60 . . 1 1 4 4 DG H2' H 1 . . 1 1 4 4 DG C2' C 13 . 9.98 . . 0.200 . . . . . . . . . . . 5671 1
61 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA C2' C 13 . 12.07 . . 0.200 . . . . . . . . . . . 5671 1
62 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA C2' C 13 . 16.24 . . 0.200 . . . . . . . . . . . 5671 1
63 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT C2' C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 1
64 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT C2' C 13 . 8.65 . . 0.200 . . . . . . . . . . . 5671 1
65 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC C2' C 13 . 3.38 . . 0.200 . . . . . . . . . . . 5671 1
66 . . 1 1 10 10 DG H2' H 1 . . 1 1 10 10 DG C2' C 13 . 15.15 . . 0.200 . . . . . . . . . . . 5671 1
67 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC C2' C 13 . 12.74 . . 0.200 . . . . . . . . . . . 5671 1
68 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG C2' C 13 . 11.72 . . 0.200 . . . . . . . . . . . 5671 1
69 . . 1 1 1 1 DC H3' H 1 . . 1 1 1 1 DC C3' C 13 . -5.99 . . 0.200 . . . . . . . . . . . 5671 1
70 . . 1 1 2 2 DG H3' H 1 . . 1 1 2 2 DG C3' C 13 . 6.05 . . 0.200 . . . . . . . . . . . 5671 1
71 . . 1 1 3 3 DC H3' H 1 . . 1 1 3 3 DC C3' C 13 . -0.01 . . 0.200 . . . . . . . . . . . 5671 1
72 . . 1 1 4 4 DG H3' H 1 . . 1 1 4 4 DG C3' C 13 . 18.65 . . 0.200 . . . . . . . . . . . 5671 1
73 . . 1 1 5 5 DA H3' H 1 . . 1 1 5 5 DA C3' C 13 . 15.87 . . 0.200 . . . . . . . . . . . 5671 1
74 . . 1 1 6 6 DA H3' H 1 . . 1 1 6 6 DA C3' C 13 . 12.84 . . 0.200 . . . . . . . . . . . 5671 1
75 . . 1 1 7 7 DT H3' H 1 . . 1 1 7 7 DT C3' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 1
76 . . 1 1 8 8 DT H3' H 1 . . 1 1 8 8 DT C3' C 13 . 15.48 . . 0.200 . . . . . . . . . . . 5671 1
77 . . 1 1 9 9 DC H3' H 1 . . 1 1 9 9 DC C3' C 13 . 17.76 . . 0.200 . . . . . . . . . . . 5671 1
78 . . 1 1 10 10 DG H3' H 1 . . 1 1 10 10 DG C3' C 13 . 22.00 . . 0.200 . . . . . . . . . . . 5671 1
79 . . 1 1 11 11 DC H3' H 1 . . 1 1 11 11 DC C3' C 13 . 7.73 . . 0.200 . . . . . . . . . . . 5671 1
80 . . 1 1 12 12 DG H3' H 1 . . 1 1 12 12 DG C3' C 13 . 3.39 . . 0.200 . . . . . . . . . . . 5671 1
81 . . 1 1 1 1 DC H4' H 1 . . 1 1 1 1 DC C4' C 13 . 3.41 . . 0.200 . . . . . . . . . . . 5671 1
82 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG C4' C 13 . 6.40 . . 0.200 . . . . . . . . . . . 5671 1
83 . . 1 1 3 3 DC H4' H 1 . . 1 1 3 3 DC C4' C 13 . -1.00 . . 0.200 . . . . . . . . . . . 5671 1
84 . . 1 1 4 4 DG H4' H 1 . . 1 1 4 4 DG C4' C 13 . -4.77 . . 0.200 . . . . . . . . . . . 5671 1
85 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA C4' C 13 . -4.40 . . 0.200 . . . . . . . . . . . 5671 1
86 . . 1 1 6 6 DA H4' H 1 . . 1 1 6 6 DA C4' C 13 . 5.09 . . 0.200 . . . . . . . . . . . 5671 1
87 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT C4' C 13 . 7.02 . . 0.200 . . . . . . . . . . . 5671 1
88 . . 1 1 8 8 DT H4' H 1 . . 1 1 8 8 DT C4' C 13 . 7.05 . . 0.200 . . . . . . . . . . . 5671 1
89 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC C4' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 1
90 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG C4' C 13 . 9.86 . . 0.200 . . . . . . . . . . . 5671 1
91 . . 1 1 11 11 DC H4' H 1 . . 1 1 11 11 DC C4' C 13 . 16.00 . . 0.200 . . . . . . . . . . . 5671 1
92 . . 1 1 12 12 DG H4' H 1 . . 1 1 12 12 DG C4' C 13 . 13.79 . . 0.200 . . . . . . . . . . . 5671 1
93 . . 1 1 1 1 DC H5'' H 1 . . 1 1 1 1 DC C5' C 13 . 1.71 . . 0.200 . . . . . . . . . . . 5671 1
94 . . 1 1 2 2 DG H5'' H 1 . . 1 1 2 2 DG C5' C 13 . 15.03 . . 0.200 . . . . . . . . . . . 5671 1
95 . . 1 1 3 3 DC H5'' H 1 . . 1 1 3 3 DC C5' C 13 . 18.80 . . 0.200 . . . . . . . . . . . 5671 1
96 . . 1 1 4 4 DG H5'' H 1 . . 1 1 4 4 DG C5' C 13 . 16.08 . . 0.200 . . . . . . . . . . . 5671 1
97 . . 1 1 5 5 DA H5'' H 1 . . 1 1 5 5 DA C5' C 13 . 9.09 . . 0.200 . . . . . . . . . . . 5671 1
98 . . 1 1 6 6 DA H5'' H 1 . . 1 1 6 6 DA C5' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 1
99 . . 1 1 7 7 DT H5'' H 1 . . 1 1 7 7 DT C5' C 13 . 17.22 . . 0.200 . . . . . . . . . . . 5671 1
100 . . 1 1 8 8 DT H5'' H 1 . . 1 1 8 8 DT C5' C 13 . 14.09 . . 0.200 . . . . . . . . . . . 5671 1
101 . . 1 1 9 9 DC H5'' H 1 . . 1 1 9 9 DC C5' C 13 . 15.59 . . 0.200 . . . . . . . . . . . 5671 1
102 . . 1 1 10 10 DG H5'' H 1 . . 1 1 10 10 DG C5' C 13 . 9.92 . . 0.200 . . . . . . . . . . . 5671 1
103 . . 1 1 11 11 DC H5'' H 1 . . 1 1 11 11 DC C5' C 13 . 13.95 . . 0.200 . . . . . . . . . . . 5671 1
104 . . 1 1 12 12 DG H5'' H 1 . . 1 1 12 12 DG C5' C 13 . 7.71 . . 0.200 . . . . . . . . . . . 5671 1
105 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H2' H 1 . -4.700 . . 1.000 . . . . . . . . . . . 5671 1
106 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H2' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 1
107 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H2' H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 1
108 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H2' H 1 . 0.500 . . 1.000 . . . . . . . . . . . 5671 1
109 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H2' H 1 . 1.000 . . 1.000 . . . . . . . . . . . 5671 1
110 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 1
111 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H2' H 1 . -1.100 . . 1.000 . . . . . . . . . . . 5671 1
112 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 1
113 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H2' H 1 . -0.500 . . 1.000 . . . . . . . . . . . 5671 1
114 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H2' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1
115 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 1
116 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H2' H 1 . -4.000 . . 1.000 . . . . . . . . . . . 5671 1
117 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H2'' H 1 . -9.900 . . 1.000 . . . . . . . . . . . 5671 1
118 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H2'' H 1 . -9.600 . . 1.000 . . . . . . . . . . . 5671 1
119 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H2'' H 1 . -8.900 . . 1.000 . . . . . . . . . . . 5671 1
120 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H2'' H 1 . -4.700 . . 2.000 . . . . . . . . . . . 5671 1
121 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H2'' H 1 . -4.900 . . 2.000 . . . . . . . . . . . 5671 1
122 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H2'' H 1 . -5.300 . . 2.000 . . . . . . . . . . . 5671 1
123 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H2'' H 1 . -5.700 . . 2.000 . . . . . . . . . . . 5671 1
124 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H2'' H 1 . -6.400 . . 2.000 . . . . . . . . . . . 5671 1
125 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H2'' H 1 . -5.800 . . 2.000 . . . . . . . . . . . 5671 1
126 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H2'' H 1 . -5.800 . . 1.000 . . . . . . . . . . . 5671 1
127 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H2'' H 1 . -12.300 . . 1.000 . . . . . . . . . . . 5671 1
128 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H2'' H 1 . -11.400 . . 1.000 . . . . . . . . . . . 5671 1
129 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC H3' H 1 . 3.100 . . 2.000 . . . . . . . . . . . 5671 1
130 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC H3' H 1 . 4.300 . . 1.000 . . . . . . . . . . . 5671 1
131 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA H3' H 1 . 4.100 . . 1.000 . . . . . . . . . . . 5671 1
132 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 1
133 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT H3' H 1 . 3.800 . . 1.000 . . . . . . . . . . . 5671 1
134 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 1
135 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 1
136 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC H3' H 1 . 5.200 . . 1.000 . . . . . . . . . . . 5671 1
137 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG H3' H 1 . 5.400 . . 2.000 . . . . . . . . . . . 5671 1
138 . . 1 1 1 1 DC H2'' H 1 . . 1 1 1 1 DC H3' H 1 . 2.200 . . 2.000 . . . . . . . . . . . 5671 1
139 . . 1 1 2 2 DG H2'' H 1 . . 1 1 2 2 DG H3' H 1 . 3.700 . . 1.000 . . . . . . . . . . . 5671 1
140 . . 1 1 3 3 DC H2'' H 1 . . 1 1 3 3 DC H3' H 1 . 2.800 . . 1.000 . . . . . . . . . . . 5671 1
141 . . 1 1 5 5 DA H2'' H 1 . . 1 1 5 5 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1
142 . . 1 1 6 6 DA H2'' H 1 . . 1 1 6 6 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1
143 . . 1 1 7 7 DT H2'' H 1 . . 1 1 7 7 DT H3' H 1 . -1.400 . . 1.000 . . . . . . . . . . . 5671 1
144 . . 1 1 8 8 DT H2'' H 1 . . 1 1 8 8 DT H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1
145 . . 1 1 9 9 DC H2'' H 1 . . 1 1 9 9 DC H3' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1
146 . . 1 1 11 11 DC H2'' H 1 . . 1 1 11 11 DC H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 1
147 . . 1 1 12 12 DG H2'' H 1 . . 1 1 12 12 DG H3' H 1 . 2.100 . . 2.000 . . . . . . . . . . . 5671 1
148 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC H2'' H 1 . 9.000 . . 1.000 . . . . . . . . . . . 5671 1
149 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC H2'' H 1 . 7.200 . . 1.000 . . . . . . . . . . . 5671 1
150 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA H2'' H 1 . 13.200 . . 2.000 . . . . . . . . . . . 5671 1
151 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA H2'' H 1 . 14.500 . . 2.000 . . . . . . . . . . . 5671 1
152 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT H2'' H 1 . 14.400 . . 2.000 . . . . . . . . . . . 5671 1
153 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT H2'' H 1 . 5.900 . . 1.000 . . . . . . . . . . . 5671 1
154 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC H2'' H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 1
155 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC H2'' H 1 . 9.100 . . 1.000 . . . . . . . . . . . 5671 1
156 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG H2'' H 1 . 8.500 . . 1.000 . . . . . . . . . . . 5671 1
157 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC H6 H 1 . 7.000 . . 1.000 . . . . . . . . . . . 5671 1
158 . . 1 1 3 3 DC H5 H 1 . . 1 1 3 3 DC H6 H 1 . 6.400 . . 1.000 . . . . . . . . . . . 5671 1
159 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC H6 H 1 . 7.200 . . 2.000 . . . . . . . . . . . 5671 1
160 . . 1 1 11 11 DC H5 H 1 . . 1 1 11 11 DC H6 H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 1
161 . . 1 1 1 1 DC H1' H 1 . . 1 1 2 2 DG H5' H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 1
162 . . 1 1 3 3 DC H1' H 1 . . 1 1 4 4 DG H5' H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1
163 . . 1 1 4 4 DG H1' H 1 . . 1 1 5 5 DA H5' H 1 . 3.200 . . 1.000 . . . . . . . . . . . 5671 1
164 . . 1 1 5 5 DA H1' H 1 . . 1 1 6 6 DA H5' H 1 . 3.500 . . 1.000 . . . . . . . . . . . 5671 1
165 . . 1 1 6 6 DA H1' H 1 . . 1 1 7 7 DT H5' H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 1
166 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H5' H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1
167 . . 1 1 9 9 DC H1' H 1 . . 1 1 10 10 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
168 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
169 . . 1 1 11 11 DC H1' H 1 . . 1 1 12 12 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
170 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H4' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1
171 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
172 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H4' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 1
173 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
174 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
175 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
176 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
177 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
178 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H4' H 1 . 2.100 . . 1.000 . . . . . . . . . . . 5671 1
179 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H4' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 1
180 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H4' H 1 . 3.400 . . 1.000 . . . . . . . . . . . 5671 1
181 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H4' H 1 . 2.500 . . 1.000 . . . . . . . . . . . 5671 1
182 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1
183 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1
184 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
185 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H8 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
186 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H8 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 1
187 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H6 H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1
188 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1
189 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H8 H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 1
190 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H6 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 1
191 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1
192 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG H3' H 1 . -7.900 . . 1.000 . . . . . . . . . . . 5671 1
193 . . 1 1 3 3 DC H4' H 1 . . 1 1 3 3 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 1
194 . . 1 1 4 4 DG H4' H 1 . . 1 1 4 4 DG H3' H 1 . -6.100 . . 1.000 . . . . . . . . . . . 5671 1
195 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA H3' H 1 . -6.500 . . 1.000 . . . . . . . . . . . 5671 1
196 . . 1 1 6 6 DA H4' H 1 . . 1 1 6 6 DA H3' H 1 . -3.000 . . 2.000 . . . . . . . . . . . 5671 1
197 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT H3' H 1 . -4.500 . . 2.000 . . . . . . . . . . . 5671 1
198 . . 1 1 8 8 DT H4' H 1 . . 1 1 8 8 DT H3' H 1 . -3.200 . . 2.000 . . . . . . . . . . . 5671 1
199 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC H3' H 1 . -3.800 . . 2.000 . . . . . . . . . . . 5671 1
200 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG H3' H 1 . -2.000 . . 2.000 . . . . . . . . . . . 5671 1
201 . . 1 1 11 11 DC H4' H 1 . . 1 1 11 11 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 1
202 . . 1 1 5 5 DA H2 H 1 . . 1 1 6 6 DA H2 H 1 . -2.900 . . 1.000 . . . . . . . . . . . 5671 1
203 . . 1 1 2 2 DG H1' H 1 . . 1 1 3 3 DC H5 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1
204 . . 1 1 2 2 DG H8 H 1 . . 1 1 3 3 DC H5 H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 1
205 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
206 . . 1 1 8 8 DT H6 H 1 . . 1 1 9 9 DC H5 H 1 . -4.500 . . 1.000 . . . . . . . . . . . 5671 1
207 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
208 . . 1 1 10 10 DG H8 H 1 . . 1 1 11 11 DC H5 H 1 . -2.800 . . 1.000 . . . . . . . . . . . 5671 1
209 . . 1 1 6 6 DA H2' H 1 . . 1 1 7 7 DT H7 H 1 . -5.680 . . 20.000 . . . . . . . . . . . 5671 1
210 . . 1 1 7 7 DT H2' H 1 . . 1 1 8 8 DT H7 H 1 . -5.430 . . 20.000 . . . . . . . . . . . 5671 1
211 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT H7 H 1 . 3.590 . . 20.000 . . . . . . . . . . . 5671 1
212 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT H7 H 1 . 4.280 . . 20.000 . . . . . . . . . . . 5671 1
213 . . 1 1 6 6 DA H8 H 1 . . 1 1 7 7 DT H7 H 1 . -6.180 . . 20.000 . . . . . . . . . . . 5671 1
214 . . 1 1 7 7 DT H6 H 1 . . 1 1 8 8 DT H7 H 1 . -6.870 . . 20.000 . . . . . . . . . . . 5671 1
215 . . 1 1 1 1 DC H1' H 1 . . 1 1 2 2 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1
216 . . 1 1 2 2 DG H1' H 1 . . 1 1 3 3 DC H6 H 1 . -5.200 . . 1.000 . . . . . . . . . . . 5671 1
217 . . 1 1 3 3 DC H1' H 1 . . 1 1 4 4 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1
218 . . 1 1 4 4 DG H1' H 1 . . 1 1 5 5 DA H8 H 1 . -5.000 . . 1.000 . . . . . . . . . . . 5671 1
219 . . 1 1 5 5 DA H1' H 1 . . 1 1 6 6 DA H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 1
220 . . 1 1 6 6 DA H1' H 1 . . 1 1 7 7 DT H6 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 1
221 . . 1 1 7 7 DT H1' H 1 . . 1 1 8 8 DT H6 H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 1
222 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H6 H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 1
223 . . 1 1 9 9 DC H1' H 1 . . 1 1 10 10 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 1
224 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H6 H 1 . -4.800 . . 1.000 . . . . . . . . . . . 5671 1
225 . . 1 1 11 11 DC H1' H 1 . . 1 1 12 12 DG H8 H 1 . -2.100 . . 1.000 . . . . . . . . . . . 5671 1
226 . . 1 1 2 2 DG H5'' H 1 . . 1 1 2 2 DG H3' H 1 . -7.600 . . 1.000 . . . . . . . . . . . 5671 1
227 . . 1 1 4 4 DG H5'' H 1 . . 1 1 4 4 DG H3' H 1 . -9.300 . . 1.000 . . . . . . . . . . . 5671 1
228 . . 1 1 5 5 DA H5'' H 1 . . 1 1 5 5 DA H3' H 1 . -8.700 . . 1.000 . . . . . . . . . . . 5671 1
229 . . 1 1 6 6 DA H5'' H 1 . . 1 1 6 6 DA H3' H 1 . -8.400 . . 1.000 . . . . . . . . . . . 5671 1
230 . . 1 1 8 8 DT H5'' H 1 . . 1 1 8 8 DT H3' H 1 . -10.200 . . 1.000 . . . . . . . . . . . 5671 1
231 . . 1 1 10 10 DG H5'' H 1 . . 1 1 10 10 DG H3' H 1 . -9.500 . . 1.000 . . . . . . . . . . . 5671 1
232 . . 1 1 2 2 DG H5' H 1 . . 1 1 2 2 DG H3' H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 1
233 . . 1 1 4 4 DG H5' H 1 . . 1 1 4 4 DG H3' H 1 . -3.100 . . 1.000 . . . . . . . . . . . 5671 1
234 . . 1 1 5 5 DA H5' H 1 . . 1 1 5 5 DA H3' H 1 . -1.900 . . 1.000 . . . . . . . . . . . 5671 1
235 . . 1 1 6 6 DA H5' H 1 . . 1 1 6 6 DA H3' H 1 . -4.400 . . 1.000 . . . . . . . . . . . 5671 1
236 . . 1 1 8 8 DT H5' H 1 . . 1 1 8 8 DT H3' H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1
237 . . 1 1 10 10 DG H5' H 1 . . 1 1 10 10 DG H3' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 1
238 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC H2' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 1
239 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG H2' H 1 . 7.500 . . 1.000 . . . . . . . . . . . 5671 1
240 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC H2' H 1 . 7.300 . . 1.000 . . . . . . . . . . . 5671 1
241 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG H2' H 1 . 8.900 . . 1.000 . . . . . . . . . . . 5671 1
242 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA H2' H 1 . 7.900 . . 1.000 . . . . . . . . . . . 5671 1
243 . . 1 1 6 6 DA H8 H 1 . . 1 1 6 6 DA H2' H 1 . 7.600 . . 1.000 . . . . . . . . . . . 5671 1
244 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT H2' H 1 . 3.900 . . 1.000 . . . . . . . . . . . 5671 1
245 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT H2' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 1
246 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
247 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
248 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC H2' H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 1
249 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 1
250 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC H2'' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 1
251 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG H2'' H 1 . 2.300 . . 1.000 . . . . . . . . . . . 5671 1
252 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC H2'' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1
253 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG H2'' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 1
254 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
255 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
256 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
257 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
258 . . 1 1 1 1 DC H2' H 1 . . 1 1 2 2 DG H8 H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 1
259 . . 1 1 2 2 DG H2' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
260 . . 1 1 3 3 DC H2' H 1 . . 1 1 4 4 DG H8 H 1 . -3.800 . . 1.000 . . . . . . . . . . . 5671 1
261 . . 1 1 6 6 DA H2' H 1 . . 1 1 7 7 DT H6 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1
262 . . 1 1 7 7 DT H2' H 1 . . 1 1 8 8 DT H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 1
263 . . 1 1 8 8 DT H2' H 1 . . 1 1 9 9 DC H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 1
264 . . 1 1 9 9 DC H2' H 1 . . 1 1 10 10 DG H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 1
265 . . 1 1 10 10 DG H2' H 1 . . 1 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
266 . . 1 1 11 11 DC H2' H 1 . . 1 1 12 12 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 1
267 . . 1 1 1 1 DC H2'' H 1 . . 1 1 2 2 DG H8 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1
268 . . 1 1 2 2 DG H2'' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
269 . . 1 1 3 3 DC H2'' H 1 . . 1 1 4 4 DG H8 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 1
270 . . 1 1 4 4 DG H2'' H 1 . . 1 1 5 5 DA H8 H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1
271 . . 1 1 5 5 DA H2'' H 1 . . 1 1 6 6 DA H8 H 1 . -6.700 . . 1.000 . . . . . . . . . . . 5671 1
272 . . 1 1 6 6 DA H2'' H 1 . . 1 1 7 7 DT H6 H 1 . -8.200 . . 1.000 . . . . . . . . . . . 5671 1
273 . . 1 1 7 7 DT H2'' H 1 . . 1 1 8 8 DT H6 H 1 . -10.900 . . 1.000 . . . . . . . . . . . 5671 1
274 . . 1 1 8 8 DT H2'' H 1 . . 1 1 9 9 DC H6 H 1 . -9.000 . . 1.000 . . . . . . . . . . . 5671 1
275 . . 1 1 9 9 DC H2'' H 1 . . 1 1 10 10 DG H8 H 1 . -5.600 . . 1.000 . . . . . . . . . . . 5671 1
276 . . 1 1 10 10 DG H2'' H 1 . . 1 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1
277 . . 1 1 11 11 DC H2'' H 1 . . 1 1 12 12 DG H8 H 1 . -2.700 . . 1.000 . . . . . . . . . . . 5671 1
278 . . 1 1 1 1 DC H3' H 1 . . 1 1 2 2 DG P P 31 . 1.280 . . 0.080 . . . . . . . . . . . 5671 1
279 . . 1 1 2 2 DG H3' H 1 . . 1 1 3 3 DC P P 31 . 1.490 . . 0.080 . . . . . . . . . . . 5671 1
280 . . 1 1 3 3 DC H3' H 1 . . 1 1 4 4 DG P P 31 . 1.940 . . 0.110 . . . . . . . . . . . 5671 1
281 . . 1 1 4 4 DG H3' H 1 . . 1 1 5 5 DA P P 31 . 1.590 . . 0.090 . . . . . . . . . . . 5671 1
282 . . 1 1 5 5 DA H3' H 1 . . 1 1 6 6 DA P P 31 . 1.580 . . 0.110 . . . . . . . . . . . 5671 1
283 . . 1 1 6 6 DA H3' H 1 . . 1 1 7 7 DT P P 31 . 1.140 . . 0.130 . . . . . . . . . . . 5671 1
284 . . 1 1 7 7 DT H3' H 1 . . 1 1 8 8 DT P P 31 . 0.890 . . 0.140 . . . . . . . . . . . 5671 1
285 . . 1 1 8 8 DT H3' H 1 . . 1 1 9 9 DC P P 31 . 0.310 . . 0.130 . . . . . . . . . . . 5671 1
286 . . 1 1 9 9 DC H3' H 1 . . 1 1 10 10 DG P P 31 . -0.330 . . 0.120 . . . . . . . . . . . 5671 1
287 . . 1 1 10 10 DG H3' H 1 . . 1 1 11 11 DC P P 31 . -0.280 . . 0.090 . . . . . . . . . . . 5671 1
288 . . 1 1 11 11 DC H3' H 1 . . 1 1 12 12 DG P P 31 . 0.250 . . 0.090 . . . . . . . . . . . 5671 1
289 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC C6 C 13 . 9.99 . . 0.200 . . . . . . . . . . . 5671 1
290 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC C5 C 13 . 18.00 . . 0.200 . . . . . . . . . . . 5671 1
291 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG C8 C 13 . 18.13 . . 0.200 . . . . . . . . . . . 5671 1
292 . . 1 1 5 5 DA H2 H 1 . . 1 1 5 5 DA C2 C 13 . 27.06 . . 0.200 . . . . . . . . . . . 5671 1
293 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA C8 C 13 . 27.07 . . 0.200 . . . . . . . . . . . 5671 1
294 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT C6 C 13 . 22.53 . . 0.200 . . . . . . . . . . . 5671 1
295 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC C6 C 13 . 26.83 . . 0.200 . . . . . . . . . . . 5671 1
296 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC C5 C 13 . 19.03 . . 0.200 . . . . . . . . . . . 5671 1
297 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG C8 C 13 . 24.06 . . 0.200 . . . . . . . . . . . 5671 1
298 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC C1' C 13 . 0.56 . . 0.200 . . . . . . . . . . . 5671 1
299 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG C1' C 13 . 20.25 . . 0.200 . . . . . . . . . . . 5671 1
300 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA C1' C 13 . 21.90 . . 0.200 . . . . . . . . . . . 5671 1
301 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT C1' C 13 . 19.17 . . 0.200 . . . . . . . . . . . 5671 1
302 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC C1' C 13 . 13.74 . . 0.200 . . . . . . . . . . . 5671 1
303 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG C1' C 13 . 16.16 . . 0.200 . . . . . . . . . . . 5671 1
304 . . 1 1 1 1 DC H3' H 1 . . 1 1 1 1 DC C3' C 13 . -7.65 . . 0.200 . . . . . . . . . . . 5671 1
305 . . 1 1 2 2 DG H3' H 1 . . 1 1 2 2 DG C3' C 13 . 4.13 . . 0.200 . . . . . . . . . . . 5671 1
306 . . 1 1 5 5 DA H3' H 1 . . 1 1 5 5 DA C3' C 13 . 19.57 . . 0.200 . . . . . . . . . . . 5671 1
307 . . 1 1 7 7 DT H3' H 1 . . 1 1 7 7 DT C3' C 13 . 17.65 . . 0.200 . . . . . . . . . . . 5671 1
308 . . 1 1 9 9 DC H3' H 1 . . 1 1 9 9 DC C3' C 13 . 22.20 . . 0.200 . . . . . . . . . . . 5671 1
309 . . 1 1 10 10 DG H3' H 1 . . 1 1 10 10 DG C3' C 13 . 23.65 . . 0.200 . . . . . . . . . . . 5671 1
310 . . 1 1 1 1 DC H4' H 1 . . 1 1 1 1 DC C4' C 13 . 3.62 . . 0.200 . . . . . . . . . . . 5671 1
311 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG C4' C 13 . 2.34 . . 0.200 . . . . . . . . . . . 5671 1
312 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA C4' C 13 . -7.62 . . 0.200 . . . . . . . . . . . 5671 1
313 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT C4' C 13 . 11.46 . . 0.200 . . . . . . . . . . . 5671 1
314 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC C4' C 13 . 19.26 . . 0.200 . . . . . . . . . . . 5671 1
315 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG C4' C 13 . 22.83 . . 0.200 . . . . . . . . . . . 5671 1
316 . . 1 1 2 2 DG H1 H 1 . . 1 1 2 2 DG N1 N 15 . 8.32 . . 0.200 . . . . . . . . . . . 5671 1
317 . . 1 1 7 7 DT H3 H 1 . . 1 1 7 7 DT N3 N 15 . 9.90 . . 0.200 . . . . . . . . . . . 5671 1
318 . . 1 1 10 10 DG H1 H 1 . . 1 1 10 10 DG N1 N 15 . 10.01 . . 0.200 . . . . . . . . . . . 5671 1
stop_
save_
save_residual_dipolar_couplings_2
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode residual_dipolar_couplings_2
_RDC_list.Entry_ID 5671
_RDC_list.ID 2
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_cond_1
_RDC_list.Spectrometer_frequency_1H 800
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
. . 1 $sample_1 . 5671 2
. . 2 $sample_2 . 5671 2
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC C6 C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 2
2 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC C5 C 13 . 14.53 . . 0.200 . . . . . . . . . . . 5671 2
3 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG C8 C 13 . 6.95 . . 0.200 . . . . . . . . . . . 5671 2
4 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC C6 C 13 . 17.95 . . 0.200 . . . . . . . . . . . 5671 2
5 . . 2 1 3 3 DC H5 H 1 . . 2 1 3 3 DC C5 C 13 . 4.26 . . 0.200 . . . . . . . . . . . 5671 2
6 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG C8 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 2
7 . . 2 1 5 5 DA H2 H 1 . . 2 1 5 5 DA C2 C 13 . 21.36 . . 0.200 . . . . . . . . . . . 5671 2
8 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA C8 C 13 . 22.31 . . 0.200 . . . . . . . . . . . 5671 2
9 . . 2 1 6 6 DA H2 H 1 . . 2 1 6 6 DA C2 C 13 . 22.99 . . 0.200 . . . . . . . . . . . 5671 2
10 . . 2 1 6 6 DA H8 H 1 . . 2 1 6 6 DA C8 C 13 . 17.73 . . 0.200 . . . . . . . . . . . 5671 2
11 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT C6 C 13 . 10.68 . . 0.200 . . . . . . . . . . . 5671 2
12 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 2
13 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 2
14 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC C5 C 13 . 8.73 . . 0.200 . . . . . . . . . . . 5671 2
15 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG C8 C 13 . 19.93 . . 0.200 . . . . . . . . . . . 5671 2
16 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC C6 C 13 . 10.86 . . 0.200 . . . . . . . . . . . 5671 2
17 . . 2 1 11 11 DC H5 H 1 . . 2 1 11 11 DC C5 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 2
18 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG C8 C 13 . 2.42 . . 0.200 . . . . . . . . . . . 5671 2
19 . . 2 1 1 1 DC H2'' H 1 . . 2 1 1 1 DC C2' C 13 . 1.03 . . 0.200 . . . . . . . . . . . 5671 2
20 . . 2 1 2 2 DG H2'' H 1 . . 2 1 2 2 DG C2' C 13 . -17.53 . . 0.200 . . . . . . . . . . . 5671 2
21 . . 2 1 3 3 DC H2'' H 1 . . 2 1 3 3 DC C2' C 13 . -8.42 . . 0.200 . . . . . . . . . . . 5671 2
22 . . 2 1 4 4 DG H2'' H 1 . . 2 1 4 4 DG C2' C 13 . -24.41 . . 0.200 . . . . . . . . . . . 5671 2
23 . . 2 1 5 5 DA H2'' H 1 . . 2 1 5 5 DA C2' C 13 . -14.19 . . 0.200 . . . . . . . . . . . 5671 2
24 . . 2 1 6 6 DA H2'' H 1 . . 2 1 6 6 DA C2' C 13 . -16.15 . . 0.200 . . . . . . . . . . . 5671 2
25 . . 2 1 9 9 DC H2'' H 1 . . 2 1 9 9 DC C2' C 13 . -18.20 . . 0.200 . . . . . . . . . . . 5671 2
26 . . 2 1 10 10 DG H2'' H 1 . . 2 1 10 10 DG C2' C 13 . -23.86 . . 0.200 . . . . . . . . . . . 5671 2
27 . . 2 1 11 11 DC H2'' H 1 . . 2 1 11 11 DC C2' C 13 . -1.17 . . 0.200 . . . . . . . . . . . 5671 2
28 . . 2 1 12 12 DG H2'' H 1 . . 2 1 12 12 DG C2' C 13 . -4.84 . . 0.200 . . . . . . . . . . . 5671 2
29 . . 2 1 1 1 DC H5' H 1 . . 2 1 1 1 DC C5' C 13 . -5.57 . . 0.200 . . . . . . . . . . . 5671 2
30 . . 2 1 2 2 DG H5' H 1 . . 2 1 2 2 DG C5' C 13 . -20.71 . . 0.200 . . . . . . . . . . . 5671 2
31 . . 2 1 4 4 DG H5' H 1 . . 2 1 4 4 DG C5' C 13 . -22.05 . . 0.200 . . . . . . . . . . . 5671 2
32 . . 2 1 5 5 DA H5' H 1 . . 2 1 5 5 DA C5' C 13 . -18.57 . . 0.200 . . . . . . . . . . . 5671 2
33 . . 2 1 6 6 DA H5' H 1 . . 2 1 6 6 DA C5' C 13 . -21.86 . . 0.200 . . . . . . . . . . . 5671 2
34 . . 2 1 7 7 DT H5' H 1 . . 2 1 7 7 DT C5' C 13 . -20.23 . . 0.200 . . . . . . . . . . . 5671 2
35 . . 2 1 9 9 DC H5' H 1 . . 2 1 9 9 DC C5' C 13 . -32.09 . . 0.200 . . . . . . . . . . . 5671 2
36 . . 2 1 10 10 DG H5' H 1 . . 2 1 10 10 DG C5' C 13 . -25.94 . . 0.200 . . . . . . . . . . . 5671 2
37 . . 2 1 12 12 DG H5' H 1 . . 2 1 12 12 DG C5' C 13 . -28.56 . . 0.200 . . . . . . . . . . . 5671 2
38 . . 2 1 2 2 DG H1 H 1 . . 2 1 2 2 DG N1 N 15 . 7.26 . . 0.200 . . . . . . . . . . . 5671 2
39 . . 2 1 4 4 DG H1 H 1 . . 2 1 4 4 DG N1 N 15 . 12.94 . . 0.200 . . . . . . . . . . . 5671 2
40 . . 2 1 7 7 DT H3 H 1 . . 2 1 7 7 DT N3 N 15 . 4.72 . . 0.200 . . . . . . . . . . . 5671 2
41 . . 2 1 8 8 DT H3 H 1 . . 2 1 8 8 DT N3 N 15 . 9.82 . . 0.200 . . . . . . . . . . . 5671 2
42 . . 2 1 10 10 DG H1 H 1 . . 2 1 10 10 DG N1 N 15 . 7.11 . . 0.200 . . . . . . . . . . . 5671 2
43 . . 2 1 7 7 DT C5 C . . . 2 1 7 7 DT CM C 13 . 14.82 . . 0.200 . . . . . . . . . . . 5671 2
44 . . 2 1 8 8 DT C5 C . . . 2 1 8 8 DT CM C 13 . 11.03 . . 0.200 . . . . . . . . . . . 5671 2
45 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC C1' C 13 . 2.01 . . 0.200 . . . . . . . . . . . 5671 2
46 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG C1' C 13 . 8.50 . . 0.200 . . . . . . . . . . . 5671 2
47 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC C1' C 13 . 0.48 . . 0.200 . . . . . . . . . . . 5671 2
48 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG C1' C 13 . 13.61 . . 0.200 . . . . . . . . . . . 5671 2
49 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA C1' C 13 . 18.58 . . 0.200 . . . . . . . . . . . 5671 2
50 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA C1' C 13 . 16.15 . . 0.200 . . . . . . . . . . . 5671 2
51 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT C1' C 13 . 9.97 . . 0.200 . . . . . . . . . . . 5671 2
52 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT C1' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 2
53 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC C1' C 13 . 8.16 . . 0.200 . . . . . . . . . . . 5671 2
54 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG C1' C 13 . 15.25 . . 0.200 . . . . . . . . . . . 5671 2
55 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC C1' C 13 . 14.19 . . 0.200 . . . . . . . . . . . 5671 2
56 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG C1' C 13 . 11.02 . . 0.200 . . . . . . . . . . . 5671 2
57 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC C2' C 13 . 5.25 . . 0.200 . . . . . . . . . . . 5671 2
58 . . 2 1 2 2 DG H2' H 1 . . 2 1 2 2 DG C2' C 13 . 10.83 . . 0.200 . . . . . . . . . . . 5671 2
59 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC C2' C 13 . -8.43 . . 0.200 . . . . . . . . . . . 5671 2
60 . . 2 1 4 4 DG H2' H 1 . . 2 1 4 4 DG C2' C 13 . 9.98 . . 0.200 . . . . . . . . . . . 5671 2
61 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA C2' C 13 . 12.07 . . 0.200 . . . . . . . . . . . 5671 2
62 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA C2' C 13 . 16.24 . . 0.200 . . . . . . . . . . . 5671 2
63 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT C2' C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 2
64 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT C2' C 13 . 8.65 . . 0.200 . . . . . . . . . . . 5671 2
65 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC C2' C 13 . 3.38 . . 0.200 . . . . . . . . . . . 5671 2
66 . . 2 1 10 10 DG H2' H 1 . . 2 1 10 10 DG C2' C 13 . 15.15 . . 0.200 . . . . . . . . . . . 5671 2
67 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC C2' C 13 . 12.74 . . 0.200 . . . . . . . . . . . 5671 2
68 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG C2' C 13 . 11.72 . . 0.200 . . . . . . . . . . . 5671 2
69 . . 2 1 1 1 DC H3' H 1 . . 2 1 1 1 DC C3' C 13 . -5.99 . . 0.200 . . . . . . . . . . . 5671 2
70 . . 2 1 2 2 DG H3' H 1 . . 2 1 2 2 DG C3' C 13 . 6.05 . . 0.200 . . . . . . . . . . . 5671 2
71 . . 2 1 3 3 DC H3' H 1 . . 2 1 3 3 DC C3' C 13 . -0.01 . . 0.200 . . . . . . . . . . . 5671 2
72 . . 2 1 4 4 DG H3' H 1 . . 2 1 4 4 DG C3' C 13 . 18.65 . . 0.200 . . . . . . . . . . . 5671 2
73 . . 2 1 5 5 DA H3' H 1 . . 2 1 5 5 DA C3' C 13 . 15.87 . . 0.200 . . . . . . . . . . . 5671 2
74 . . 2 1 6 6 DA H3' H 1 . . 2 1 6 6 DA C3' C 13 . 12.84 . . 0.200 . . . . . . . . . . . 5671 2
75 . . 2 1 7 7 DT H3' H 1 . . 2 1 7 7 DT C3' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 2
76 . . 2 1 8 8 DT H3' H 1 . . 2 1 8 8 DT C3' C 13 . 15.48 . . 0.200 . . . . . . . . . . . 5671 2
77 . . 2 1 9 9 DC H3' H 1 . . 2 1 9 9 DC C3' C 13 . 17.76 . . 0.200 . . . . . . . . . . . 5671 2
78 . . 2 1 10 10 DG H3' H 1 . . 2 1 10 10 DG C3' C 13 . 22.00 . . 0.200 . . . . . . . . . . . 5671 2
79 . . 2 1 11 11 DC H3' H 1 . . 2 1 11 11 DC C3' C 13 . 7.73 . . 0.200 . . . . . . . . . . . 5671 2
80 . . 2 1 12 12 DG H3' H 1 . . 2 1 12 12 DG C3' C 13 . 3.39 . . 0.200 . . . . . . . . . . . 5671 2
81 . . 2 1 1 1 DC H4' H 1 . . 2 1 1 1 DC C4' C 13 . 3.41 . . 0.200 . . . . . . . . . . . 5671 2
82 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG C4' C 13 . 6.40 . . 0.200 . . . . . . . . . . . 5671 2
83 . . 2 1 3 3 DC H4' H 1 . . 2 1 3 3 DC C4' C 13 . -1.00 . . 0.200 . . . . . . . . . . . 5671 2
84 . . 2 1 4 4 DG H4' H 1 . . 2 1 4 4 DG C4' C 13 . -4.77 . . 0.200 . . . . . . . . . . . 5671 2
85 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA C4' C 13 . -4.40 . . 0.200 . . . . . . . . . . . 5671 2
86 . . 2 1 6 6 DA H4' H 1 . . 2 1 6 6 DA C4' C 13 . 5.09 . . 0.200 . . . . . . . . . . . 5671 2
87 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT C4' C 13 . 7.02 . . 0.200 . . . . . . . . . . . 5671 2
88 . . 2 1 8 8 DT H4' H 1 . . 2 1 8 8 DT C4' C 13 . 7.05 . . 0.200 . . . . . . . . . . . 5671 2
89 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC C4' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 2
90 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG C4' C 13 . 9.86 . . 0.200 . . . . . . . . . . . 5671 2
91 . . 2 1 11 11 DC H4' H 1 . . 2 1 11 11 DC C4' C 13 . 16.00 . . 0.200 . . . . . . . . . . . 5671 2
92 . . 2 1 12 12 DG H4' H 1 . . 2 1 12 12 DG C4' C 13 . 13.79 . . 0.200 . . . . . . . . . . . 5671 2
93 . . 2 1 1 1 DC H5'' H 1 . . 2 1 1 1 DC C5' C 13 . 1.71 . . 0.200 . . . . . . . . . . . 5671 2
94 . . 2 1 2 2 DG H5'' H 1 . . 2 1 2 2 DG C5' C 13 . 15.03 . . 0.200 . . . . . . . . . . . 5671 2
95 . . 2 1 3 3 DC H5'' H 1 . . 2 1 3 3 DC C5' C 13 . 18.80 . . 0.200 . . . . . . . . . . . 5671 2
96 . . 2 1 4 4 DG H5'' H 1 . . 2 1 4 4 DG C5' C 13 . 16.08 . . 0.200 . . . . . . . . . . . 5671 2
97 . . 2 1 5 5 DA H5'' H 1 . . 2 1 5 5 DA C5' C 13 . 9.09 . . 0.200 . . . . . . . . . . . 5671 2
98 . . 2 1 6 6 DA H5'' H 1 . . 2 1 6 6 DA C5' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 2
99 . . 2 1 7 7 DT H5'' H 1 . . 2 1 7 7 DT C5' C 13 . 17.22 . . 0.200 . . . . . . . . . . . 5671 2
100 . . 2 1 8 8 DT H5'' H 1 . . 2 1 8 8 DT C5' C 13 . 14.09 . . 0.200 . . . . . . . . . . . 5671 2
101 . . 2 1 9 9 DC H5'' H 1 . . 2 1 9 9 DC C5' C 13 . 15.59 . . 0.200 . . . . . . . . . . . 5671 2
102 . . 2 1 10 10 DG H5'' H 1 . . 2 1 10 10 DG C5' C 13 . 9.92 . . 0.200 . . . . . . . . . . . 5671 2
103 . . 2 1 11 11 DC H5'' H 1 . . 2 1 11 11 DC C5' C 13 . 13.95 . . 0.200 . . . . . . . . . . . 5671 2
104 . . 2 1 12 12 DG H5'' H 1 . . 2 1 12 12 DG C5' C 13 . 7.71 . . 0.200 . . . . . . . . . . . 5671 2
105 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H2' H 1 . -4.700 . . 1.000 . . . . . . . . . . . 5671 2
106 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H2' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 2
107 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H2' H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 2
108 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H2' H 1 . 0.500 . . 1.000 . . . . . . . . . . . 5671 2
109 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H2' H 1 . 1.000 . . 1.000 . . . . . . . . . . . 5671 2
110 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 2
111 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H2' H 1 . -1.100 . . 1.000 . . . . . . . . . . . 5671 2
112 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 2
113 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H2' H 1 . -0.500 . . 1.000 . . . . . . . . . . . 5671 2
114 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H2' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2
115 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 2
116 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H2' H 1 . -4.000 . . 1.000 . . . . . . . . . . . 5671 2
117 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H2'' H 1 . -9.900 . . 1.000 . . . . . . . . . . . 5671 2
118 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H2'' H 1 . -9.600 . . 1.000 . . . . . . . . . . . 5671 2
119 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H2'' H 1 . -8.900 . . 1.000 . . . . . . . . . . . 5671 2
120 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H2'' H 1 . -4.700 . . 2.000 . . . . . . . . . . . 5671 2
121 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H2'' H 1 . -4.900 . . 2.000 . . . . . . . . . . . 5671 2
122 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H2'' H 1 . -5.300 . . 2.000 . . . . . . . . . . . 5671 2
123 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H2'' H 1 . -5.700 . . 2.000 . . . . . . . . . . . 5671 2
124 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H2'' H 1 . -6.400 . . 2.000 . . . . . . . . . . . 5671 2
125 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H2'' H 1 . -5.800 . . 2.000 . . . . . . . . . . . 5671 2
126 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H2'' H 1 . -5.800 . . 1.000 . . . . . . . . . . . 5671 2
127 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H2'' H 1 . -12.300 . . 1.000 . . . . . . . . . . . 5671 2
128 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H2'' H 1 . -11.400 . . 1.000 . . . . . . . . . . . 5671 2
129 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC H3' H 1 . 3.100 . . 2.000 . . . . . . . . . . . 5671 2
130 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC H3' H 1 . 4.300 . . 1.000 . . . . . . . . . . . 5671 2
131 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA H3' H 1 . 4.100 . . 1.000 . . . . . . . . . . . 5671 2
132 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 2
133 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT H3' H 1 . 3.800 . . 1.000 . . . . . . . . . . . 5671 2
134 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 2
135 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 2
136 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC H3' H 1 . 5.200 . . 1.000 . . . . . . . . . . . 5671 2
137 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG H3' H 1 . 5.400 . . 2.000 . . . . . . . . . . . 5671 2
138 . . 2 1 1 1 DC H2'' H 1 . . 2 1 1 1 DC H3' H 1 . 2.200 . . 2.000 . . . . . . . . . . . 5671 2
139 . . 2 1 2 2 DG H2'' H 1 . . 2 1 2 2 DG H3' H 1 . 3.700 . . 1.000 . . . . . . . . . . . 5671 2
140 . . 2 1 3 3 DC H2'' H 1 . . 2 1 3 3 DC H3' H 1 . 2.800 . . 1.000 . . . . . . . . . . . 5671 2
141 . . 2 1 5 5 DA H2'' H 1 . . 2 1 5 5 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2
142 . . 2 1 6 6 DA H2'' H 1 . . 2 1 6 6 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2
143 . . 2 1 7 7 DT H2'' H 1 . . 2 1 7 7 DT H3' H 1 . -1.400 . . 1.000 . . . . . . . . . . . 5671 2
144 . . 2 1 8 8 DT H2'' H 1 . . 2 1 8 8 DT H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2
145 . . 2 1 9 9 DC H2'' H 1 . . 2 1 9 9 DC H3' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2
146 . . 2 1 11 11 DC H2'' H 1 . . 2 1 11 11 DC H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 2
147 . . 2 1 12 12 DG H2'' H 1 . . 2 1 12 12 DG H3' H 1 . 2.100 . . 2.000 . . . . . . . . . . . 5671 2
148 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC H2'' H 1 . 9.000 . . 1.000 . . . . . . . . . . . 5671 2
149 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC H2'' H 1 . 7.200 . . 1.000 . . . . . . . . . . . 5671 2
150 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA H2'' H 1 . 13.200 . . 2.000 . . . . . . . . . . . 5671 2
151 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA H2'' H 1 . 14.500 . . 2.000 . . . . . . . . . . . 5671 2
152 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT H2'' H 1 . 14.400 . . 2.000 . . . . . . . . . . . 5671 2
153 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT H2'' H 1 . 5.900 . . 1.000 . . . . . . . . . . . 5671 2
154 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC H2'' H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 2
155 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC H2'' H 1 . 9.100 . . 1.000 . . . . . . . . . . . 5671 2
156 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG H2'' H 1 . 8.500 . . 1.000 . . . . . . . . . . . 5671 2
157 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC H6 H 1 . 7.000 . . 1.000 . . . . . . . . . . . 5671 2
158 . . 2 1 3 3 DC H5 H 1 . . 2 1 3 3 DC H6 H 1 . 6.400 . . 1.000 . . . . . . . . . . . 5671 2
159 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC H6 H 1 . 7.200 . . 2.000 . . . . . . . . . . . 5671 2
160 . . 2 1 11 11 DC H5 H 1 . . 2 1 11 11 DC H6 H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 2
161 . . 2 1 1 1 DC H1' H 1 . . 2 1 2 2 DG H5' H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 2
162 . . 2 1 3 3 DC H1' H 1 . . 2 1 4 4 DG H5' H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2
163 . . 2 1 4 4 DG H1' H 1 . . 2 1 5 5 DA H5' H 1 . 3.200 . . 1.000 . . . . . . . . . . . 5671 2
164 . . 2 1 5 5 DA H1' H 1 . . 2 1 6 6 DA H5' H 1 . 3.500 . . 1.000 . . . . . . . . . . . 5671 2
165 . . 2 1 6 6 DA H1' H 1 . . 2 1 7 7 DT H5' H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 2
166 . . 2 1 8 8 DT H1' H 1 . . 2 1 9 9 DC H5' H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2
167 . . 2 1 9 9 DC H1' H 1 . . 2 1 10 10 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
168 . . 2 1 10 10 DG H1' H 1 . . 2 1 11 11 DC H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
169 . . 2 1 11 11 DC H1' H 1 . . 2 1 12 12 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
170 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H4' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2
171 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
172 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H4' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 2
173 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
174 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
175 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
176 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
177 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
178 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H4' H 1 . 2.100 . . 1.000 . . . . . . . . . . . 5671 2
179 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H4' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 2
180 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H4' H 1 . 3.400 . . 1.000 . . . . . . . . . . . 5671 2
181 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H4' H 1 . 2.500 . . 1.000 . . . . . . . . . . . 5671 2
182 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2
183 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2
184 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
185 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H8 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
186 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H8 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 2
187 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H6 H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2
188 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2
189 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H8 H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 2
190 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H6 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 2
191 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2
192 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG H3' H 1 . -7.900 . . 1.000 . . . . . . . . . . . 5671 2
193 . . 2 1 3 3 DC H4' H 1 . . 2 1 3 3 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 2
194 . . 2 1 4 4 DG H4' H 1 . . 2 1 4 4 DG H3' H 1 . -6.100 . . 1.000 . . . . . . . . . . . 5671 2
195 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA H3' H 1 . -6.500 . . 1.000 . . . . . . . . . . . 5671 2
196 . . 2 1 6 6 DA H4' H 1 . . 2 1 6 6 DA H3' H 1 . -3.000 . . 2.000 . . . . . . . . . . . 5671 2
197 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT H3' H 1 . -4.500 . . 2.000 . . . . . . . . . . . 5671 2
198 . . 2 1 8 8 DT H4' H 1 . . 2 1 8 8 DT H3' H 1 . -3.200 . . 2.000 . . . . . . . . . . . 5671 2
199 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC H3' H 1 . -3.800 . . 2.000 . . . . . . . . . . . 5671 2
200 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG H3' H 1 . -2.000 . . 2.000 . . . . . . . . . . . 5671 2
201 . . 2 1 11 11 DC H4' H 1 . . 2 1 11 11 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 2
202 . . 2 1 5 5 DA H2 H 1 . . 2 1 6 6 DA H2 H 1 . -2.900 . . 1.000 . . . . . . . . . . . 5671 2
203 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H5 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2
204 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H5 H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 2
205 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
206 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H5 H 1 . -4.500 . . 1.000 . . . . . . . . . . . 5671 2
207 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
208 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H5 H 1 . -2.800 . . 1.000 . . . . . . . . . . . 5671 2
209 . . 2 1 6 6 DA H2' H 1 . . 2 1 7 7 DT H7 H 1 . -5.680 . . 20.000 . . . . . . . . . . . 5671 2
210 . . 2 1 7 7 DT H2' H 1 . . 2 1 8 8 DT H7 H 1 . -5.430 . . 20.000 . . . . . . . . . . . 5671 2
211 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT H7 H 1 . 3.590 . . 20.000 . . . . . . . . . . . 5671 2
212 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H7 H 1 . 4.280 . . 20.000 . . . . . . . . . . . 5671 2
213 . . 2 1 6 6 DA H8 H 1 . . 2 1 7 7 DT H7 H 1 . -6.180 . . 20.000 . . . . . . . . . . . 5671 2
214 . . 2 1 7 7 DT H6 H 1 . . 2 1 8 8 DT H7 H 1 . -6.870 . . 20.000 . . . . . . . . . . . 5671 2
215 . . 2 1 1 1 DC H1' H 1 . . 2 1 2 2 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2
216 . . 2 1 2 2 DG H1' H 1 . . 2 1 3 3 DC H6 H 1 . -5.200 . . 1.000 . . . . . . . . . . . 5671 2
217 . . 2 1 3 3 DC H1' H 1 . . 2 1 4 4 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2
218 . . 2 1 4 4 DG H1' H 1 . . 2 1 5 5 DA H8 H 1 . -5.000 . . 1.000 . . . . . . . . . . . 5671 2
219 . . 2 1 5 5 DA H1' H 1 . . 2 1 6 6 DA H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 2
220 . . 2 1 6 6 DA H1' H 1 . . 2 1 7 7 DT H6 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 2
221 . . 2 1 7 7 DT H1' H 1 . . 2 1 8 8 DT H6 H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 2
222 . . 2 1 8 8 DT H1' H 1 . . 2 1 9 9 DC H6 H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 2
223 . . 2 1 9 9 DC H1' H 1 . . 2 1 10 10 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 2
224 . . 2 1 10 10 DG H1' H 1 . . 2 1 11 11 DC H6 H 1 . -4.800 . . 1.000 . . . . . . . . . . . 5671 2
225 . . 2 1 11 11 DC H1' H 1 . . 2 1 12 12 DG H8 H 1 . -2.100 . . 1.000 . . . . . . . . . . . 5671 2
226 . . 2 1 2 2 DG H5'' H 1 . . 2 1 2 2 DG H3' H 1 . -7.600 . . 1.000 . . . . . . . . . . . 5671 2
227 . . 2 1 4 4 DG H5'' H 1 . . 2 1 4 4 DG H3' H 1 . -9.300 . . 1.000 . . . . . . . . . . . 5671 2
228 . . 2 1 5 5 DA H5'' H 1 . . 2 1 5 5 DA H3' H 1 . -8.700 . . 1.000 . . . . . . . . . . . 5671 2
229 . . 2 1 6 6 DA H5'' H 1 . . 2 1 6 6 DA H3' H 1 . -8.400 . . 1.000 . . . . . . . . . . . 5671 2
230 . . 2 1 8 8 DT H5'' H 1 . . 2 1 8 8 DT H3' H 1 . -10.200 . . 1.000 . . . . . . . . . . . 5671 2
231 . . 2 1 10 10 DG H5'' H 1 . . 2 1 10 10 DG H3' H 1 . -9.500 . . 1.000 . . . . . . . . . . . 5671 2
232 . . 2 1 2 2 DG H5' H 1 . . 2 1 2 2 DG H3' H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 2
233 . . 2 1 4 4 DG H5' H 1 . . 2 1 4 4 DG H3' H 1 . -3.100 . . 1.000 . . . . . . . . . . . 5671 2
234 . . 2 1 5 5 DA H5' H 1 . . 2 1 5 5 DA H3' H 1 . -1.900 . . 1.000 . . . . . . . . . . . 5671 2
235 . . 2 1 6 6 DA H5' H 1 . . 2 1 6 6 DA H3' H 1 . -4.400 . . 1.000 . . . . . . . . . . . 5671 2
236 . . 2 1 8 8 DT H5' H 1 . . 2 1 8 8 DT H3' H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2
237 . . 2 1 10 10 DG H5' H 1 . . 2 1 10 10 DG H3' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 2
238 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC H2' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 2
239 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H2' H 1 . 7.500 . . 1.000 . . . . . . . . . . . 5671 2
240 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC H2' H 1 . 7.300 . . 1.000 . . . . . . . . . . . 5671 2
241 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG H2' H 1 . 8.900 . . 1.000 . . . . . . . . . . . 5671 2
242 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA H2' H 1 . 7.900 . . 1.000 . . . . . . . . . . . 5671 2
243 . . 2 1 6 6 DA H8 H 1 . . 2 1 6 6 DA H2' H 1 . 7.600 . . 1.000 . . . . . . . . . . . 5671 2
244 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT H2' H 1 . 3.900 . . 1.000 . . . . . . . . . . . 5671 2
245 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H2' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 2
246 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
247 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
248 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC H2' H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 2
249 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 2
250 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC H2'' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 2
251 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H2'' H 1 . 2.300 . . 1.000 . . . . . . . . . . . 5671 2
252 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC H2'' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2
253 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG H2'' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 2
254 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
255 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
256 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
257 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
258 . . 2 1 1 1 DC H2' H 1 . . 2 1 2 2 DG H8 H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 2
259 . . 2 1 2 2 DG H2' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
260 . . 2 1 3 3 DC H2' H 1 . . 2 1 4 4 DG H8 H 1 . -3.800 . . 1.000 . . . . . . . . . . . 5671 2
261 . . 2 1 6 6 DA H2' H 1 . . 2 1 7 7 DT H6 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2
262 . . 2 1 7 7 DT H2' H 1 . . 2 1 8 8 DT H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 2
263 . . 2 1 8 8 DT H2' H 1 . . 2 1 9 9 DC H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 2
264 . . 2 1 9 9 DC H2' H 1 . . 2 1 10 10 DG H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 2
265 . . 2 1 10 10 DG H2' H 1 . . 2 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
266 . . 2 1 11 11 DC H2' H 1 . . 2 1 12 12 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 2
267 . . 2 1 1 1 DC H2'' H 1 . . 2 1 2 2 DG H8 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2
268 . . 2 1 2 2 DG H2'' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
269 . . 2 1 3 3 DC H2'' H 1 . . 2 1 4 4 DG H8 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 2
270 . . 2 1 4 4 DG H2'' H 1 . . 2 1 5 5 DA H8 H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2
271 . . 2 1 5 5 DA H2'' H 1 . . 2 1 6 6 DA H8 H 1 . -6.700 . . 1.000 . . . . . . . . . . . 5671 2
272 . . 2 1 6 6 DA H2'' H 1 . . 2 1 7 7 DT H6 H 1 . -8.200 . . 1.000 . . . . . . . . . . . 5671 2
273 . . 2 1 7 7 DT H2'' H 1 . . 2 1 8 8 DT H6 H 1 . -10.900 . . 1.000 . . . . . . . . . . . 5671 2
274 . . 2 1 8 8 DT H2'' H 1 . . 2 1 9 9 DC H6 H 1 . -9.000 . . 1.000 . . . . . . . . . . . 5671 2
275 . . 2 1 9 9 DC H2'' H 1 . . 2 1 10 10 DG H8 H 1 . -5.600 . . 1.000 . . . . . . . . . . . 5671 2
276 . . 2 1 10 10 DG H2'' H 1 . . 2 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2
277 . . 2 1 11 11 DC H2'' H 1 . . 2 1 12 12 DG H8 H 1 . -2.700 . . 1.000 . . . . . . . . . . . 5671 2
278 . . 2 1 1 1 DC H3' H 1 . . 2 1 2 2 DG P P 31 . 1.280 . . 0.080 . . . . . . . . . . . 5671 2
279 . . 2 1 2 2 DG H3' H 1 . . 2 1 3 3 DC P P 31 . 1.490 . . 0.080 . . . . . . . . . . . 5671 2
280 . . 2 1 3 3 DC H3' H 1 . . 2 1 4 4 DG P P 31 . 1.940 . . 0.110 . . . . . . . . . . . 5671 2
281 . . 2 1 4 4 DG H3' H 1 . . 2 1 5 5 DA P P 31 . 1.590 . . 0.090 . . . . . . . . . . . 5671 2
282 . . 2 1 5 5 DA H3' H 1 . . 2 1 6 6 DA P P 31 . 1.580 . . 0.110 . . . . . . . . . . . 5671 2
283 . . 2 1 6 6 DA H3' H 1 . . 2 1 7 7 DT P P 31 . 1.140 . . 0.130 . . . . . . . . . . . 5671 2
284 . . 2 1 7 7 DT H3' H 1 . . 2 1 8 8 DT P P 31 . 0.890 . . 0.140 . . . . . . . . . . . 5671 2
285 . . 2 1 8 8 DT H3' H 1 . . 2 1 9 9 DC P P 31 . 0.310 . . 0.130 . . . . . . . . . . . 5671 2
286 . . 2 1 9 9 DC H3' H 1 . . 2 1 10 10 DG P P 31 . -0.330 . . 0.120 . . . . . . . . . . . 5671 2
287 . . 2 1 10 10 DG H3' H 1 . . 2 1 11 11 DC P P 31 . -0.280 . . 0.090 . . . . . . . . . . . 5671 2
288 . . 2 1 11 11 DC H3' H 1 . . 2 1 12 12 DG P P 31 . 0.250 . . 0.090 . . . . . . . . . . . 5671 2
289 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC C6 C 13 . 9.99 . . 0.200 . . . . . . . . . . . 5671 2
290 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC C5 C 13 . 18.00 . . 0.200 . . . . . . . . . . . 5671 2
291 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG C8 C 13 . 18.13 . . 0.200 . . . . . . . . . . . 5671 2
292 . . 2 1 5 5 DA H2 H 1 . . 2 1 5 5 DA C2 C 13 . 27.06 . . 0.200 . . . . . . . . . . . 5671 2
293 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA C8 C 13 . 27.07 . . 0.200 . . . . . . . . . . . 5671 2
294 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT C6 C 13 . 22.53 . . 0.200 . . . . . . . . . . . 5671 2
295 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC C6 C 13 . 26.83 . . 0.200 . . . . . . . . . . . 5671 2
296 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC C5 C 13 . 19.03 . . 0.200 . . . . . . . . . . . 5671 2
297 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG C8 C 13 . 24.06 . . 0.200 . . . . . . . . . . . 5671 2
298 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC C1' C 13 . 0.56 . . 0.200 . . . . . . . . . . . 5671 2
299 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG C1' C 13 . 20.25 . . 0.200 . . . . . . . . . . . 5671 2
300 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA C1' C 13 . 21.90 . . 0.200 . . . . . . . . . . . 5671 2
301 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT C1' C 13 . 19.17 . . 0.200 . . . . . . . . . . . 5671 2
302 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC C1' C 13 . 13.74 . . 0.200 . . . . . . . . . . . 5671 2
303 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG C1' C 13 . 16.16 . . 0.200 . . . . . . . . . . . 5671 2
304 . . 2 1 1 1 DC H3' H 1 . . 2 1 1 1 DC C3' C 13 . -7.65 . . 0.200 . . . . . . . . . . . 5671 2
305 . . 2 1 2 2 DG H3' H 1 . . 2 1 2 2 DG C3' C 13 . 4.13 . . 0.200 . . . . . . . . . . . 5671 2
306 . . 2 1 5 5 DA H3' H 1 . . 2 1 5 5 DA C3' C 13 . 19.57 . . 0.200 . . . . . . . . . . . 5671 2
307 . . 2 1 7 7 DT H3' H 1 . . 2 1 7 7 DT C3' C 13 . 17.65 . . 0.200 . . . . . . . . . . . 5671 2
308 . . 2 1 9 9 DC H3' H 1 . . 2 1 9 9 DC C3' C 13 . 22.20 . . 0.200 . . . . . . . . . . . 5671 2
309 . . 2 1 10 10 DG H3' H 1 . . 2 1 10 10 DG C3' C 13 . 23.65 . . 0.200 . . . . . . . . . . . 5671 2
310 . . 2 1 1 1 DC H4' H 1 . . 2 1 1 1 DC C4' C 13 . 3.62 . . 0.200 . . . . . . . . . . . 5671 2
311 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG C4' C 13 . 2.34 . . 0.200 . . . . . . . . . . . 5671 2
312 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA C4' C 13 . -7.62 . . 0.200 . . . . . . . . . . . 5671 2
313 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT C4' C 13 . 11.46 . . 0.200 . . . . . . . . . . . 5671 2
314 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC C4' C 13 . 19.26 . . 0.200 . . . . . . . . . . . 5671 2
315 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG C4' C 13 . 22.83 . . 0.200 . . . . . . . . . . . 5671 2
316 . . 2 1 2 2 DG H1 H 1 . . 2 1 2 2 DG N1 N 15 . 8.32 . . 0.200 . . . . . . . . . . . 5671 2
317 . . 2 1 7 7 DT H3 H 1 . . 2 1 7 7 DT N3 N 15 . 9.90 . . 0.200 . . . . . . . . . . . 5671 2
318 . . 2 1 10 10 DG H1 H 1 . . 2 1 10 10 DG N1 N 15 . 10.01 . . 0.200 . . . . . . . . . . . 5671 2
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