data_4175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4175 _Entry.Title ; SL3 Hairpin from the Packaging Signal of HIV-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-11 _Entry.Accession_date 1998-08-11 _Entry.Last_release_date 2000-04-04 _Entry.Original_release_date 2000-04-04 _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 L. Pappalardo . . . 4175 2 D. Kerwood . J. . 4175 3 I. Pelczer . . . 4175 4 P. Borer . N. . 4175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '31P chemical shifts' 19 4175 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-04-04 1998-08-11 original author . 4175 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1BN0 'BMRB Entry Tracking System' 4175 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4175 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98417646 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Three-dimensional Folding of an RNA Hairpin Required for Packaging HIV-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 282 _Citation.Journal_issue . _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 801 _Citation.Page_last 818 _Citation.Year 1998 _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 L. Pappalardo . . . 4175 1 2 D. Kerwood . J. . 4175 1 3 I. Pelczer . . . 4175 1 4 P. Borer . N. . 4175 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HIV-1 4175 1 NMR 4175 1 packaging 4175 1 RNA 4175 1 tetraloop 4175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SL3_RNA_hairpin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SL3_RNA_hairpin _Assembly.Entry_ID 4175 _Assembly.ID 1 _Assembly.Name 'SL3 RNA hairpin' _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 oligomer 4175 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 'SL3 RNA hairpin' 1 $SL3_RNA_hairpin . . . native . . . . . 4175 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 . PDB 1BN0 . . . . . . 4175 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SL3 RNA hairpin' system 4175 1 SL3_RNA_hairpin abbreviation 4175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SL3_RNA_hairpin _Entity.Sf_category entity _Entity.Sf_framecode SL3_RNA_hairpin _Entity.Entry_ID 4175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SL3 RNA hairpin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGACUAGCGGAGGCUAGUCC ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 'SL3 RNA hairpin' common 4175 1 SL3_RNA_hairpin abbreviation 4175 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 4175 1 2 . G . 4175 1 3 . A . 4175 1 4 . C . 4175 1 5 . U . 4175 1 6 . A . 4175 1 7 . G . 4175 1 8 . C . 4175 1 9 . G . 4175 1 10 . G . 4175 1 11 . A . 4175 1 12 . G . 4175 1 13 . G . 4175 1 14 . C . 4175 1 15 . U . 4175 1 16 . A . 4175 1 17 . G . 4175 1 18 . U . 4175 1 19 . C . 4175 1 20 . C . 4175 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 4175 1 . G 2 2 4175 1 . A 3 3 4175 1 . C 4 4 4175 1 . U 5 5 4175 1 . A 6 6 4175 1 . G 7 7 4175 1 . C 8 8 4175 1 . G 9 9 4175 1 . G 10 10 4175 1 . A 11 11 4175 1 . G 12 12 4175 1 . G 13 13 4175 1 . C 14 14 4175 1 . U 15 15 4175 1 . A 16 16 4175 1 . G 17 17 4175 1 . U 18 18 4175 1 . C 19 19 4175 1 . C 20 20 4175 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 4175 _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 $SL3_RNA_hairpin . 11676 virus . 'Human immunodeficiency virus 1' 'Human Immunodeficiency virus, type 1' . . virus . . . . . . . . . . . . . . . . . . . . . . . . 4175 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 4175 _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 $SL3_RNA_hairpin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'T7 transcript' . . 4175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4175 _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 'SL3 RNA hairpin' . . . 1 $SL3_RNA_hairpin . . 30 . . mM . . . . 4175 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4175 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.5 n/a 4175 1 temperature 303 0.5 K 4175 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4175 _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_one Bruker DRX . 500 . . . 4175 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 4175 _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 NOESY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4175 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4175 1 3 H-PCOSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4175 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 4175 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 4175 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 4175 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name H-PCOSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4175 _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 H 1 DSS 'methyl protons' . . . . ppm 0.03 external direct . external cylindrical parallel . . . . . . 4175 1 P 31 . . . . . . . . . . . . . . . . . . . . 4175 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4175 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.9 0.01 . 1 . . . . . . . . 4175 1 2 . 1 1 1 1 G H8 H 1 8.15 0.01 . 1 . . . . . . . . 4175 1 3 . 1 1 1 1 G H1' H 1 5.82 0.01 . 1 . . . . . . . . 4175 1 4 . 1 1 1 1 G H2' H 1 4.95 0.01 . 1 . . . . . . . . 4175 1 5 . 1 1 1 1 G H3' H 1 4.76 0.01 . 1 . . . . . . . . 4175 1 6 . 1 1 1 1 G H4' H 1 4.57 0.01 . 1 . . . . . . . . 4175 1 7 . 1 1 1 1 G H5' H 1 4.28 0.01 . 2 . . . . . . . . 4175 1 8 . 1 1 1 1 G H5'' H 1 4.42 0.01 . 2 . . . . . . . . 4175 1 9 . 1 1 2 2 G H1 H 1 12.6 0.01 . 1 . . . . . . . . 4175 1 10 . 1 1 2 2 G H8 H 1 7.62 0.01 . 1 . . . . . . . . 4175 1 11 . 1 1 2 2 G H1' H 1 5.90 0.01 . 1 . . . . . . . . 4175 1 12 . 1 1 2 2 G H2' H 1 4.70 0.01 . 1 . . . . . . . . 4175 1 13 . 1 1 2 2 G H3' H 1 4.61 0.01 . 1 . . . . . . . . 4175 1 14 . 1 1 2 2 G H4' H 1 4.63 0.01 . 1 . . . . . . . . 4175 1 15 . 1 1 2 2 G H5' H 1 4.34 0.01 . 2 . . . . . . . . 4175 1 16 . 1 1 2 2 G H5'' H 1 4.51 0.01 . 2 . . . . . . . . 4175 1 17 . 1 1 2 2 G P P 31 -3.00 0.01 . 1 . . . . . . . . 4175 1 18 . 1 1 3 3 A H2 H 1 7.80 0.01 . 1 . . . . . . . . 4175 1 19 . 1 1 3 3 A H62 H 1 7.00 0.01 . 2 . . . . . . . . 4175 1 20 . 1 1 3 3 A H8 H 1 7.88 0.01 . 1 . . . . . . . . 4175 1 21 . 1 1 3 3 A H1' H 1 6.02 0.01 . 1 . . . . . . . . 4175 1 22 . 1 1 3 3 A H2' H 1 4.63 0.01 . 1 . . . . . . . . 4175 1 23 . 1 1 3 3 A H3' H 1 4.63 0.01 . 1 . . . . . . . . 4175 1 24 . 1 1 3 3 A H4' H 1 4.54 0.01 . 1 . . . . . . . . 4175 1 25 . 1 1 3 3 A H5' H 1 4.20 0.01 . 2 . . . . . . . . 4175 1 26 . 1 1 3 3 A H5'' H 1 4.53 0.01 . 2 . . . . . . . . 4175 1 27 . 1 1 3 3 A P P 31 -3.56 0.01 . 1 . . . . . . . . 4175 1 28 . 1 1 4 4 C H41 H 1 8.36 0.01 . 2 . . . . . . . . 4175 1 29 . 1 1 4 4 C H42 H 1 7.05 0.01 . 2 . . . . . . . . 4175 1 30 . 1 1 4 4 C H5 H 1 5.26 0.01 . 1 . . . . . . . . 4175 1 31 . 1 1 4 4 C H6 H 1 7.40 0.01 . 1 . . . . . . . . 4175 1 32 . 1 1 4 4 C H1' H 1 5.36 0.01 . 1 . . . . . . . . 4175 1 33 . 1 1 4 4 C H2' H 1 4.28 0.01 . 1 . . . . . . . . 4175 1 34 . 1 1 4 4 C H3' H 1 4.33 0.01 . 1 . . . . . . . . 4175 1 35 . 1 1 4 4 C H4' H 1 4.44 0.01 . 1 . . . . . . . . 4175 1 36 . 1 1 4 4 C H5' H 1 4.06 0.01 . 2 . . . . . . . . 4175 1 37 . 1 1 4 4 C H5'' H 1 4.49 0.01 . 2 . . . . . . . . 4175 1 38 . 1 1 4 4 C P P 31 -3.70 0.01 . 1 . . . . . . . . 4175 1 39 . 1 1 5 5 U H3 H 1 13.2 0.01 . 1 . . . . . . . . 4175 1 40 . 1 1 5 5 U H5 H 1 5.43 0.01 . 1 . . . . . . . . 4175 1 41 . 1 1 5 5 U H6 H 1 7.84 0.01 . 1 . . . . . . . . 4175 1 42 . 1 1 5 5 U H1' H 1 5.53 0.01 . 1 . . . . . . . . 4175 1 43 . 1 1 5 5 U H2' H 1 4.56 0.01 . 1 . . . . . . . . 4175 1 44 . 1 1 5 5 U H3' H 1 4.64 0.01 . 1 . . . . . . . . 4175 1 45 . 1 1 5 5 U H4' H 1 4.43 0.01 . 1 . . . . . . . . 4175 1 46 . 1 1 5 5 U H5' H 1 4.12 0.01 . 2 . . . . . . . . 4175 1 47 . 1 1 5 5 U H5'' H 1 4.57 0.01 . 2 . . . . . . . . 4175 1 48 . 1 1 5 5 U P P 31 -3.90 0.01 . 1 . . . . . . . . 4175 1 49 . 1 1 6 6 A H2 H 1 6.71 0.01 . 1 . . . . . . . . 4175 1 50 . 1 1 6 6 A H8 H 1 8.13 0.01 . 1 . . . . . . . . 4175 1 51 . 1 1 6 6 A H1' H 1 5.95 0.01 . 1 . . . . . . . . 4175 1 52 . 1 1 6 6 A H2' H 1 4.56 0.01 . 1 . . . . . . . . 4175 1 53 . 1 1 6 6 A H3' H 1 4.76 0.01 . 1 . . . . . . . . 4175 1 54 . 1 1 6 6 A H4' H 1 4.53 0.01 . 1 . . . . . . . . 4175 1 55 . 1 1 6 6 A H5' H 1 4.20 0.01 . 2 . . . . . . . . 4175 1 56 . 1 1 6 6 A H5'' H 1 4.53 0.01 . 2 . . . . . . . . 4175 1 57 . 1 1 6 6 A P P 31 -3.56 0.01 . 1 . . . . . . . . 4175 1 58 . 1 1 7 7 G H1 H 1 13.3 0.01 . 1 . . . . . . . . 4175 1 59 . 1 1 7 7 G H8 H 1 7.32 0.01 . 1 . . . . . . . . 4175 1 60 . 1 1 7 7 G H1' H 1 5.60 0.01 . 1 . . . . . . . . 4175 1 61 . 1 1 7 7 G H2' H 1 4.32 0.01 . 1 . . . . . . . . 4175 1 62 . 1 1 7 7 G H3' H 1 4.45 0.01 . 1 . . . . . . . . 4175 1 63 . 1 1 7 7 G H4' H 1 4.43 0.01 . 1 . . . . . . . . 4175 1 64 . 1 1 7 7 G H5' H 1 4.09 0.01 . 2 . . . . . . . . 4175 1 65 . 1 1 7 7 G H5'' H 1 4.50 0.01 . 2 . . . . . . . . 4175 1 66 . 1 1 7 7 G P P 31 -3.64 0.01 . 1 . . . . . . . . 4175 1 67 . 1 1 8 8 C H41 H 1 8.16 0.01 . 2 . . . . . . . . 4175 1 68 . 1 1 8 8 C H42 H 1 6.66 0.01 . 2 . . . . . . . . 4175 1 69 . 1 1 8 8 C H5 H 1 5.01 0.01 . 1 . . . . . . . . 4175 1 70 . 1 1 8 8 C H6 H 1 7.31 0.01 . 1 . . . . . . . . 4175 1 71 . 1 1 8 8 C H1' H 1 5.46 0.01 . 1 . . . . . . . . 4175 1 72 . 1 1 8 8 C H2' H 1 4.46 0.01 . 1 . . . . . . . . 4175 1 73 . 1 1 8 8 C H3' H 1 4.32 0.01 . 1 . . . . . . . . 4175 1 74 . 1 1 8 8 C H4' H 1 4.32 0.01 . 1 . . . . . . . . 4175 1 75 . 1 1 8 8 C H5' H 1 4.04 0.01 . 2 . . . . . . . . 4175 1 76 . 1 1 8 8 C H5'' H 1 4.17 0.01 . 2 . . . . . . . . 4175 1 77 . 1 1 8 8 C P P 31 -3.78 0.01 . 1 . . . . . . . . 4175 1 78 . 1 1 9 9 G H8 H 1 7.55 0.01 . 1 . . . . . . . . 4175 1 79 . 1 1 9 9 G H1' H 1 5.60 0.01 . 1 . . . . . . . . 4175 1 80 . 1 1 9 9 G H2' H 1 4.53 0.01 . 1 . . . . . . . . 4175 1 81 . 1 1 9 9 G H3' H 1 4.57 0.01 . 1 . . . . . . . . 4175 1 82 . 1 1 9 9 G H4' H 1 4.40 0.01 . 1 . . . . . . . . 4175 1 83 . 1 1 9 9 G H5' H 1 4.07 0.01 . 2 . . . . . . . . 4175 1 84 . 1 1 9 9 G H5'' H 1 4.32 0.01 . 2 . . . . . . . . 4175 1 85 . 1 1 9 9 G P P 31 -3.34 0.01 . 1 . . . . . . . . 4175 1 86 . 1 1 10 10 G H8 H 1 7.76 0.01 . 1 . . . . . . . . 4175 1 87 . 1 1 10 10 G H1' H 1 5.41 0.01 . 1 . . . . . . . . 4175 1 88 . 1 1 10 10 G H2' H 1 4.60 0.01 . 1 . . . . . . . . 4175 1 89 . 1 1 10 10 G H3' H 1 4.54 0.01 . 1 . . . . . . . . 4175 1 90 . 1 1 10 10 G H4' H 1 4.07 0.01 . 1 . . . . . . . . 4175 1 91 . 1 1 10 10 G H5' H 1 3.95 0.01 . 2 . . . . . . . . 4175 1 92 . 1 1 10 10 G H5'' H 1 4.07 0.01 . 2 . . . . . . . . 4175 1 93 . 1 1 10 10 G P P 31 -3.04 0.01 . 1 . . . . . . . . 4175 1 94 . 1 1 11 11 A H2 H 1 8.00 0.01 . 1 . . . . . . . . 4175 1 95 . 1 1 11 11 A H8 H 1 8.19 0.01 . 1 . . . . . . . . 4175 1 96 . 1 1 11 11 A H1' H 1 5.94 0.01 . 1 . . . . . . . . 4175 1 97 . 1 1 11 11 A H2' H 1 4.80 0.01 . 1 . . . . . . . . 4175 1 98 . 1 1 11 11 A H3' H 1 4.86 0.01 . 1 . . . . . . . . 4175 1 99 . 1 1 11 11 A H4' H 1 4.41 0.01 . 1 . . . . . . . . 4175 1 100 . 1 1 11 11 A H5' H 1 3.94 0.01 . 2 . . . . . . . . 4175 1 101 . 1 1 11 11 A H5'' H 1 4.06 0.01 . 2 . . . . . . . . 4175 1 102 . 1 1 11 11 A P P 31 -3.07 0.01 . 1 . . . . . . . . 4175 1 103 . 1 1 12 12 G H8 H 1 7.90 0.01 . 1 . . . . . . . . 4175 1 104 . 1 1 12 12 G H1' H 1 5.98 0.01 . 1 . . . . . . . . 4175 1 105 . 1 1 12 12 G H2' H 1 4.84 0.01 . 1 . . . . . . . . 4175 1 106 . 1 1 12 12 G H3' H 1 4.94 0.01 . 1 . . . . . . . . 4175 1 107 . 1 1 12 12 G H4' H 1 4.62 0.01 . 1 . . . . . . . . 4175 1 108 . 1 1 12 12 G H5' H 1 4.30 0.01 . 2 . . . . . . . . 4175 1 109 . 1 1 12 12 G H5'' H 1 4.36 0.01 . 2 . . . . . . . . 4175 1 110 . 1 1 12 12 G P P 31 -3.56 0.01 . 1 . . . . . . . . 4175 1 111 . 1 1 13 13 G H1 H 1 12.9 0.01 . 1 . . . . . . . . 4175 1 112 . 1 1 13 13 G H8 H 1 7.97 0.01 . 1 . . . . . . . . 4175 1 113 . 1 1 13 13 G H1' H 1 5.07 0.01 . 1 . . . . . . . . 4175 1 114 . 1 1 13 13 G H2' H 1 4.58 0.01 . 1 . . . . . . . . 4175 1 115 . 1 1 13 13 G H3' H 1 4.40 0.01 . 1 . . . . . . . . 4175 1 116 . 1 1 13 13 G H4' H 1 4.47 0.01 . 1 . . . . . . . . 4175 1 117 . 1 1 13 13 G H5' H 1 4.30 0.01 . 2 . . . . . . . . 4175 1 118 . 1 1 13 13 G H5'' H 1 4.33 0.01 . 2 . . . . . . . . 4175 1 119 . 1 1 13 13 G P P 31 -2.62 0.01 . 1 . . . . . . . . 4175 1 120 . 1 1 14 14 C H41 H 1 8.60 0.01 . 2 . . . . . . . . 4175 1 121 . 1 1 14 14 C H42 H 1 6.83 0.01 . 2 . . . . . . . . 4175 1 122 . 1 1 14 14 C H5 H 1 5.28 0.01 . 1 . . . . . . . . 4175 1 123 . 1 1 14 14 C H6 H 1 7.68 0.01 . 1 . . . . . . . . 4175 1 124 . 1 1 14 14 C H1' H 1 5.54 0.01 . 1 . . . . . . . . 4175 1 125 . 1 1 14 14 C H2' H 1 4.45 0.01 . 1 . . . . . . . . 4175 1 126 . 1 1 14 14 C H3' H 1 4.43 0.01 . 1 . . . . . . . . 4175 1 127 . 1 1 14 14 C H4' H 1 4.41 0.01 . 1 . . . . . . . . 4175 1 128 . 1 1 14 14 C H5' H 1 4.14 0.01 . 2 . . . . . . . . 4175 1 129 . 1 1 14 14 C H5'' H 1 4.52 0.01 . 2 . . . . . . . . 4175 1 130 . 1 1 14 14 C P P 31 -3.83 0.01 . 1 . . . . . . . . 4175 1 131 . 1 1 15 15 U H3 H 1 13.3 0.01 . 1 . . . . . . . . 4175 1 132 . 1 1 15 15 U H5 H 1 5.49 0.01 . 1 . . . . . . . . 4175 1 133 . 1 1 15 15 U H6 H 1 7.89 0.01 . 1 . . . . . . . . 4175 1 134 . 1 1 15 15 U H1' H 1 5.53 0.01 . 1 . . . . . . . . 4175 1 135 . 1 1 15 15 U H2' H 1 4.56 0.01 . 1 . . . . . . . . 4175 1 136 . 1 1 15 15 U H3' H 1 4.64 0.01 . 1 . . . . . . . . 4175 1 137 . 1 1 15 15 U H4' H 1 4.35 0.01 . 1 . . . . . . . . 4175 1 138 . 1 1 15 15 U H5' H 1 4.14 0.01 . 2 . . . . . . . . 4175 1 139 . 1 1 15 15 U H5'' H 1 4.45 0.01 . 2 . . . . . . . . 4175 1 140 . 1 1 15 15 U P P 31 -3.75 0.01 . 1 . . . . . . . . 4175 1 141 . 1 1 16 16 A H2 H 1 6.75 0.01 . 1 . . . . . . . . 4175 1 142 . 1 1 16 16 A H61 H 1 7.71 0.01 . 2 . . . . . . . . 4175 1 143 . 1 1 16 16 A H62 H 1 6.41 0.01 . 2 . . . . . . . . 4175 1 144 . 1 1 16 16 A H8 H 1 8.13 0.01 . 1 . . . . . . . . 4175 1 145 . 1 1 16 16 A H1' H 1 5.97 0.01 . 1 . . . . . . . . 4175 1 146 . 1 1 16 16 A H2' H 1 4.67 0.01 . 1 . . . . . . . . 4175 1 147 . 1 1 16 16 A H3' H 1 4.74 0.01 . 1 . . . . . . . . 4175 1 148 . 1 1 16 16 A H4' H 1 4.56 0.01 . 1 . . . . . . . . 4175 1 149 . 1 1 16 16 A H5' H 1 4.20 0.01 . 2 . . . . . . . . 4175 1 150 . 1 1 16 16 A H5'' H 1 4.53 0.01 . 2 . . . . . . . . 4175 1 151 . 1 1 16 16 A P P 31 -3.42 0.01 . 1 . . . . . . . . 4175 1 152 . 1 1 17 17 G H1 H 1 13.5 0.01 . 1 . . . . . . . . 4175 1 153 . 1 1 17 17 G H21 H 1 8.57 0.01 . 2 . . . . . . . . 4175 1 154 . 1 1 17 17 G H22 H 1 6.22 0.01 . 2 . . . . . . . . 4175 1 155 . 1 1 17 17 G H8 H 1 7.18 0.01 . 1 . . . . . . . . 4175 1 156 . 1 1 17 17 G H1' H 1 5.52 0.01 . 1 . . . . . . . . 4175 1 157 . 1 1 17 17 G H2' H 1 4.37 0.01 . 1 . . . . . . . . 4175 1 158 . 1 1 17 17 G H3' H 1 4.37 0.01 . 1 . . . . . . . . 4175 1 159 . 1 1 17 17 G H4' H 1 4.45 0.01 . 1 . . . . . . . . 4175 1 160 . 1 1 17 17 G H5' H 1 4.07 0.01 . 2 . . . . . . . . 4175 1 161 . 1 1 17 17 G H5'' H 1 4.45 0.01 . 2 . . . . . . . . 4175 1 162 . 1 1 17 17 G P P 31 -3.49 0.01 . 1 . . . . . . . . 4175 1 163 . 1 1 18 18 U H3 H 1 14.4 0.01 . 1 . . . . . . . . 4175 1 164 . 1 1 18 18 U H5 H 1 5.01 0.01 . 1 . . . . . . . . 4175 1 165 . 1 1 18 18 U H6 H 1 7.73 0.01 . 1 . . . . . . . . 4175 1 166 . 1 1 18 18 U H1' H 1 5.53 0.01 . 1 . . . . . . . . 4175 1 167 . 1 1 18 18 U H2' H 1 4.48 0.01 . 1 . . . . . . . . 4175 1 168 . 1 1 18 18 U H3' H 1 4.48 0.01 . 1 . . . . . . . . 4175 1 169 . 1 1 18 18 U H4' H 1 4.44 0.01 . 1 . . . . . . . . 4175 1 170 . 1 1 18 18 U H5' H 1 4.07 0.01 . 2 . . . . . . . . 4175 1 171 . 1 1 18 18 U H5'' H 1 4.54 0.01 . 2 . . . . . . . . 4175 1 172 . 1 1 18 18 U P P 31 -4.29 0.01 . 1 . . . . . . . . 4175 1 173 . 1 1 19 19 C H41 H 1 8.46 0.01 . 2 . . . . . . . . 4175 1 174 . 1 1 19 19 C H42 H 1 6.99 0.01 . 2 . . . . . . . . 4175 1 175 . 1 1 19 19 C H5 H 1 5.64 0.01 . 1 . . . . . . . . 4175 1 176 . 1 1 19 19 C H6 H 1 7.88 0.01 . 1 . . . . . . . . 4175 1 177 . 1 1 19 19 C H1' H 1 5.62 0.01 . 1 . . . . . . . . 4175 1 178 . 1 1 19 19 C H2' H 1 4.26 0.01 . 1 . . . . . . . . 4175 1 179 . 1 1 19 19 C H3' H 1 4.49 0.01 . 1 . . . . . . . . 4175 1 180 . 1 1 19 19 C H4' H 1 4.42 0.01 . 1 . . . . . . . . 4175 1 181 . 1 1 19 19 C H5' H 1 4.08 0.01 . 2 . . . . . . . . 4175 1 182 . 1 1 19 19 C H5'' H 1 4.52 0.01 . 2 . . . . . . . . 4175 1 183 . 1 1 19 19 C P P 31 -3.85 0.01 . 1 . . . . . . . . 4175 1 184 . 1 1 20 20 C H41 H 1 8.28 0.01 . 2 . . . . . . . . 4175 1 185 . 1 1 20 20 C H42 H 1 7.04 0.01 . 2 . . . . . . . . 4175 1 186 . 1 1 20 20 C H5 H 1 5.54 0.01 . 1 . . . . . . . . 4175 1 187 . 1 1 20 20 C H6 H 1 7.68 0.01 . 1 . . . . . . . . 4175 1 188 . 1 1 20 20 C H1' H 1 5.76 0.01 . 1 . . . . . . . . 4175 1 189 . 1 1 20 20 C H2' H 1 4.00 0.01 . 1 . . . . . . . . 4175 1 190 . 1 1 20 20 C H3' H 1 4.18 0.01 . 1 . . . . . . . . 4175 1 191 . 1 1 20 20 C H4' H 1 4.19 0.01 . 1 . . . . . . . . 4175 1 192 . 1 1 20 20 C H5' H 1 4.04 0.01 . 2 . . . . . . . . 4175 1 193 . 1 1 20 20 C H5'' H 1 4.50 0.01 . 2 . . . . . . . . 4175 1 194 . 1 1 20 20 C P P 31 -3.80 0.01 . 1 . . . . . . . . 4175 1 stop_ save_