data_5278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5278 _Entry.Title ; PEMV-1 P1-P2 Frameshifting Pseudoknot Regularized Average Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-06 _Entry.Accession_date 2002-02-06 _Entry.Last_release_date 2003-02-20 _Entry.Original_release_date 2003-02-20 _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 P. Nixon . L. . 5278 2 D. Giedroc . P. . 5278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 173 5278 '13C chemical shifts' 36 5278 '15N chemical shifts' 66 5278 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 . . 2003-02-20 2002-02-06 original author . 5278 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22213647 _Citation.DOI . _Citation.PubMed_ID 12225754 _Citation.Full_citation . _Citation.Title 'Solution Structure of a Luteoviral P1-P2 frameshifting mRNA Pseudoknot' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 322 _Citation.Journal_issue 3 _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 621 _Citation.Page_last 633 _Citation.Year 2002 _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 P. Nixon . L. . 5278 1 2 A. Rangan . . . 5278 1 3 Y-G. Kim . . . 5278 1 4 A. Rich . . . 5278 1 5 D. Hoffman . W. . 5278 1 6 M. Hennig . . . 5278 1 7 D. Giedroc . P. . 5278 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Pseudoknot 5278 1 NMR 5278 1 Frameshifting 5278 1 Luteovirus 5278 1 'Triple Helix' 5278 1 'Protonated Cytidine' 5278 1 'Ribonucleic Acid' 5278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PEMV-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PEMV-1 _Assembly.Entry_ID 5278 _Assembly.ID 1 _Assembly.Name 'Pea Enation Mosaic Virus P1-P2 frameshifting pseudoknot' _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 monomer 5278 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 'P1-P2 frameshifting pseudoknot' 1 $PEMV-1 . . . native . . . . . 5278 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 1KPZ . . . . . . 5278 1 yes PDB 1KPY . . . . . . 5278 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Pea Enation Mosaic Virus P1-P2 frameshifting pseudoknot' system 5278 1 PEMV-1 abbreviation 5278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PEMV-1 _Entity.Sf_category entity _Entity.Sf_framecode PEMV-1 _Entity.Entry_ID 5278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pea Enation Mosaic Virus Pseudoknot' _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 ; GAAUUCCGGUXGACUCCGGA GAAACAAAGUCAA ; _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 33 _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 'Minor Groove Triplex and an A(n-1)C+G-C(n) base quadruple.' _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 'Pea Enation Mosaic Virus Pseudoknot' common 5278 1 PEMV-1 abbreviation 5278 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 0 G . 5278 1 2 1 A . 5278 1 3 2 A . 5278 1 4 3 U . 5278 1 5 4 U . 5278 1 6 5 C . 5278 1 7 6 C . 5278 1 8 7 G . 5278 1 9 8 G . 5278 1 10 9 U . 5278 1 11 10 CH . 5278 1 12 11 G . 5278 1 13 12 A . 5278 1 14 13 C . 5278 1 15 14 U . 5278 1 16 15 C . 5278 1 17 16 C . 5278 1 18 17 G . 5278 1 19 18 G . 5278 1 20 19 A . 5278 1 21 20 G . 5278 1 22 21 A . 5278 1 23 22 A . 5278 1 24 23 A . 5278 1 25 24 C . 5278 1 26 25 A . 5278 1 27 26 A . 5278 1 28 27 A . 5278 1 29 28 G . 5278 1 30 29 U . 5278 1 31 30 C . 5278 1 32 31 A . 5278 1 33 32 A . 5278 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 5278 1 . A 2 2 5278 1 . A 3 3 5278 1 . U 4 4 5278 1 . U 5 5 5278 1 . C 6 6 5278 1 . C 7 7 5278 1 . G 8 8 5278 1 . G 9 9 5278 1 . U 10 10 5278 1 . CH 11 11 5278 1 . G 12 12 5278 1 . A 13 13 5278 1 . C 14 14 5278 1 . U 15 15 5278 1 . C 16 16 5278 1 . C 17 17 5278 1 . G 18 18 5278 1 . G 19 19 5278 1 . A 20 20 5278 1 . G 21 21 5278 1 . A 22 22 5278 1 . A 23 23 5278 1 . A 24 24 5278 1 . C 25 25 5278 1 . A 26 26 5278 1 . A 27 27 5278 1 . A 28 28 5278 1 . G 29 29 5278 1 . U 30 30 5278 1 . C 31 31 5278 1 . A 32 32 5278 1 . A 33 33 5278 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 5278 _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 $PEMV-1 . 12290 . . 'Enamovirus Pea enation mosaic virus' 'Pea enation mosaic virus' . . Viruses . Enamovirus 'Pea enation mosaic virus' . . . . . . . . . . . . . . . . . . . . . 5278 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 5278 _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 $PEMV-1 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5278 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CH _Chem_comp.Entry_ID 5278 _Chem_comp.ID CH _Chem_comp.Provenance . _Chem_comp.Name 'N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE' _Chem_comp.Type 'RNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code CH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code C _Chem_comp.Three_letter_code CH _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID C _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H15 N3 O8 P' _Chem_comp.Formula_weight 324.204 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1KOS _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:58:16 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O SMILES ACDLabs 10.04 5278 CH NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 SMILES_CANONICAL CACTVS 3.341 5278 CH NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1 SMILES CACTVS 3.341 5278 CH C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5278 CH C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 5278 CH InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1 InChI InChI 1.03 5278 CH ULTJSGLMABORQB-XVFCMESISA-O InChIKey InChI 1.03 5278 CH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '5'-cytidylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 5278 CH '[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5278 CH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OP3 . OP3 . . O . . N 0 . . . . no yes . . . . -7.677 . -3.826 . -4.414 . -4.977 0.089 -0.423 1 . 5278 CH P . P . . P . . N 0 . . . . no no . . . . -7.437 . -2.235 . -4.522 . -4.091 -0.990 0.070 2 . 5278 CH OP1 . OP1 . . O . . N 0 . . . . no no . . . . -8.014 . -1.611 . -3.313 . -3.632 -1.914 -1.165 3 . 5278 CH OP2 . OP2 . . O . . N 0 . . . . no no . . . . -6.008 . -2.013 . -4.810 . -4.886 -1.887 1.145 4 . 5278 CH O5' . O5' . . O . . N 0 . . . . no no . . . . -8.345 . -1.800 . -5.813 . -2.793 -0.341 0.768 5 . 5278 CH C5' . C5' . . C . . N 0 . . . . no no . . . . -8.537 . -2.595 . -7.009 . -2.200 0.532 -0.195 6 . 5278 CH C4' . C4' . . C . . R 0 . . . . no no . . . . -7.342 . -2.521 . -7.948 . -0.954 1.184 0.407 7 . 5278 CH O4' . O4' . . O . . N 0 . . . . no no . . . . -6.203 . -2.857 . -7.171 . 0.068 0.192 0.645 8 . 5278 CH C3' . C3' . . C . . S 0 . . . . no no . . . . -7.339 . -3.495 . -9.133 . -0.320 2.169 -0.600 9 . 5278 CH O3' . O3' . . O . . N 0 . . . . no no . . . . -6.465 . -3.009 . -10.168 . -0.722 3.510 -0.310 10 . 5278 CH C2' . C2' . . C . . R 0 . . . . no no . . . . -6.769 . -4.723 . -8.425 . 1.203 2.001 -0.383 11 . 5278 CH O2' . O2' . . O . . N 0 . . . . no no . . . . -6.281 . -5.760 . -9.271 . 1.787 3.234 0.045 12 . 5278 CH C1' . C1' . . C . . R 0 . . . . no no . . . . -5.641 . -4.069 . -7.620 . 1.306 0.932 0.727 13 . 5278 CH N1 . N1 . . N . . N 1 . . . . no no . . . . -5.100 . -4.838 . -6.463 . 2.446 0.047 0.478 14 . 5278 CH C2 . C2 . . C . . N 0 . . . . no no . . . . -3.751 . -4.636 . -6.154 . 2.506 -0.637 -0.663 15 . 5278 CH O2 . O2 . . O . . N 0 . . . . no no . . . . -3.019 . -3.875 . -6.788 . 1.610 -0.516 -1.481 16 . 5278 CH N3 . N3 . . N . . N 0 . . . . no no . . . . -3.267 . -5.348 . -5.075 . 3.540 -1.456 -0.932 17 . 5278 CH C4 . C4 . . C . . N 0 . . . . no no . . . . -4.038 . -6.208 . -4.333 . 4.547 -1.605 -0.021 18 . 5278 CH N4 . N4 . . N . . N 0 . . . . no no . . . . -3.470 . -6.838 . -3.305 . 5.603 -2.439 -0.279 19 . 5278 CH C5 . C5 . . C . . N 0 . . . . no no . . . . -5.411 . -6.400 . -4.669 . 4.484 -0.892 1.167 20 . 5278 CH C6 . C6 . . C . . N 0 . . . . no no . . . . -5.894 . -5.704 . -5.726 . 3.398 -0.057 1.390 21 . 5278 CH HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . -7.306 . -4.227 . -5.191 . . . . 22 . 5278 CH HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . -5.866 . -1.075 . -4.873 . -5.654 -2.255 0.688 23 . 5278 CH H5' . H5' . . H . . N 0 . . . . no no . . . . -9.436 . -2.272 . -7.536 . -2.915 1.305 -0.475 24 . 5278 CH H5'' . H5'' . . H . . N 0 . . . . no no . . . . -8.675 . -3.630 . -6.696 . -1.919 -0.040 -1.080 25 . 5278 CH H4' . H4' . . H . . N 0 . . . . no no . . . . -7.243 . -1.501 . -8.317 . -1.206 1.699 1.334 26 . 5278 CH H3' . H3' . . H . . N 0 . . . . no no . . . . -8.346 . -3.631 . -9.531 . -0.593 1.902 -1.620 27 . 5278 CH HO3' . HO3' . . H . . N 0 . . . . no yes . . . . -6.463 . -3.612 . -10.901 . -0.298 4.077 -0.968 28 . 5278 CH H2' . H2' . . H . . N 0 . . . . no no . . . . -7.553 . -5.116 . -7.780 . 1.682 1.649 -1.296 29 . 5278 CH HO2' . HO2' . . H . . N 0 . . . . no no . . . . -6.053 . -6.490 . -8.689 . 1.637 3.875 -0.663 30 . 5278 CH H1' . H1' . . H . . N 0 . . . . no no . . . . -4.844 . -3.677 . -8.250 . 1.400 1.406 1.704 31 . 5278 CH HN3 . HN3 . . H . . N 0 . . . . no no . . . . -2.294 . -5.211 . -4.840 . 3.566 -1.946 -1.769 32 . 5278 CH H41 . H41 . . H . . N 0 . . . . no no . . . . -2.495 . -6.682 . -3.095 . 6.316 -2.534 0.372 33 . 5278 CH H42 . H42 . . H . . N 0 . . . . no no . . . . -4.015 . -7.470 . -2.737 . 5.637 -2.936 -1.111 34 . 5278 CH H5 . H5 . . H . . N 0 . . . . no no . . . . -6.031 . -7.088 . -4.091 . 5.266 -0.985 1.906 35 . 5278 CH H6 . H6 . . H . . N 0 . . . . no no . . . . -6.951 . -5.842 . -5.981 . 3.329 0.506 2.309 36 . 5278 CH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING OP3 P no N 1 . 5278 CH 2 . SING OP3 HOP3 no N 2 . 5278 CH 3 . DOUB P OP1 no N 3 . 5278 CH 4 . SING P OP2 no N 4 . 5278 CH 5 . SING P O5' no N 5 . 5278 CH 6 . SING OP2 HOP2 no N 6 . 5278 CH 7 . SING O5' C5' no N 7 . 5278 CH 8 . SING C5' C4' no N 8 . 5278 CH 9 . SING C5' H5' no N 9 . 5278 CH 10 . SING C5' H5'' no N 10 . 5278 CH 11 . SING C4' O4' no N 11 . 5278 CH 12 . SING C4' C3' no N 12 . 5278 CH 13 . SING C4' H4' no N 13 . 5278 CH 14 . SING O4' C1' no N 14 . 5278 CH 15 . SING C3' O3' no N 15 . 5278 CH 16 . SING C3' C2' no N 16 . 5278 CH 17 . SING C3' H3' no N 17 . 5278 CH 18 . SING O3' HO3' no N 18 . 5278 CH 19 . SING C2' O2' no N 19 . 5278 CH 20 . SING C2' C1' no N 20 . 5278 CH 21 . SING C2' H2' no N 21 . 5278 CH 22 . SING O2' HO2' no N 22 . 5278 CH 23 . SING C1' N1 no N 23 . 5278 CH 24 . SING C1' H1' no N 24 . 5278 CH 25 . SING N1 C2 no N 25 . 5278 CH 26 . DOUB N1 C6 no N 26 . 5278 CH 27 . DOUB C2 O2 no N 27 . 5278 CH 28 . SING C2 N3 no N 28 . 5278 CH 29 . SING N3 C4 no N 29 . 5278 CH 30 . SING N3 HN3 no N 30 . 5278 CH 31 . SING C4 N4 no N 31 . 5278 CH 32 . DOUB C4 C5 no N 32 . 5278 CH 33 . SING N4 H41 no N 33 . 5278 CH 34 . SING N4 H42 no N 34 . 5278 CH 35 . SING C5 C6 no N 35 . 5278 CH 36 . SING C5 H5 no N 36 . 5278 CH 37 . SING C6 H6 no N 37 . 5278 CH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5278 _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 'Pea Enation Mosaic Virus Pseudoknot' . . . 1 $PEMV-1 . . 2 . . mM . . . . 5278 1 2 KPO4 . . . . . . . 10 . . mM . . . . 5278 1 3 KCl . . . . . . . 100 . . mM . . . . 5278 1 4 MgCl2 . . . . . . . 5 . . mM . . . . 5278 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5278 _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 'Pea Enation Mosaic Virus Pseudoknot' '[U-95% 15N]' . . 1 $PEMV-1 . . 0.2 . . mM . . . . 5278 2 2 KPO4 . . . . . . . 10 . . mM . . . . 5278 2 3 KCl . . . . . . . 100 . . mM . . . . 5278 2 4 MgCl2 . . . . . . . 5 . . mM . . . . 5278 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5278 _Sample.ID 3 _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 'Pea Enation Mosaic Virus Pseudoknot' '[U-95% 13C; U-95% 15N]' . . 1 $PEMV-1 . . 0.3 . . mM . . . . 5278 3 2 KPO4 . . . . . . . 10 . . mM . . . . 5278 3 3 KCl . . . . . . . 100 . . mM . . . . 5278 3 4 MgCl2 . . . . . . . 5 . . mM . . . . 5278 3 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 5278 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5278 1 temperature 283 1 K 5278 1 'ionic strength' 110 10 mM 5278 1 pressure 1 . atm 5278 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5278 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5278 2 temperature 298 1 K 5278 2 'ionic strength' 100 10 mM 5278 2 pressure 1 . atm 5278 2 stop_ save_ save_sample_cond_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_3 _Sample_condition_list.Entry_ID 5278 _Sample_condition_list.ID 3 _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 5.8 0.1 n/a 5278 3 temperature 283 1 K 5278 3 'ionic strength' 100 10 mM 5278 3 pressure 1 . atm 5278 3 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5278 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details 'Brunger, A.T' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution, refinement' 5278 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5278 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5278 _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_1 Varian INOVA . 600 . . . 5278 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 5278 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 5278 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . 1 $NMR_applied_experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5278 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 5278 _NMR_spec_expt.ID 1 _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 . _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 1 _NMR_spec_expt.Software_label $X-PLOR _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 5278 _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 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5278 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5278 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5278 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 5278 _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 . 5278 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 A H2 H 1 8.00 . . . . . . . . . . . 5278 1 2 . 1 1 2 2 A H8 H 1 8.16 . . . . . . . . . . . 5278 1 3 . 1 1 2 2 A H1' H 1 5.97 . . . . . . . . . . . 5278 1 4 . 1 1 2 2 A N1 N 15 225.90 . . . . . . . . . . . 5278 1 5 . 1 1 2 2 A N3 N 15 216.20 . . . . . . . . . . . 5278 1 6 . 1 1 3 3 A H2 H 1 7.98 . . . . . . . . . . . 5278 1 7 . 1 1 3 3 A H8 H 1 8.24 . . . . . . . . . . . 5278 1 8 . 1 1 3 3 A H1' H 1 5.66 . . . . . . . . . . . 5278 1 9 . 1 1 3 3 A N1 N 15 225.40 . . . . . . . . . . . 5278 1 10 . 1 1 3 3 A N7 N 15 232.50 . . . . . . . . . . . 5278 1 11 . 1 1 3 3 A N9 N 15 168.10 . . . . . . . . . . . 5278 1 12 . 1 1 4 4 U H5 H 1 5.86 . . . . . . . . . . . 5278 1 13 . 1 1 4 4 U H6 H 1 8.13 . . . . . . . . . . . 5278 1 14 . 1 1 4 4 U H1' H 1 5.79 . . . . . . . . . . . 5278 1 15 . 1 1 4 4 U H2' H 1 4.90 . . . . . . . . . . . 5278 1 16 . 1 1 4 4 U H3' H 1 4.52 . . . . . . . . . . . 5278 1 17 . 1 1 4 4 U C5 C 13 104.50 . . . . . . . . . . . 5278 1 18 . 1 1 4 4 U C1' C 13 91.22 . . . . . . . . . . . 5278 1 19 . 1 1 5 5 U H5 H 1 5.72 . . . . . . . . . . . 5278 1 20 . 1 1 5 5 U H6 H 1 7.80 . . . . . . . . . . . 5278 1 21 . 1 1 5 5 U H1' H 1 5.88 . . . . . . . . . . . 5278 1 22 . 1 1 5 5 U H2' H 1 4.55 . . . . . . . . . . . 5278 1 23 . 1 1 5 5 U C5 C 13 105.90 . . . . . . . . . . . 5278 1 24 . 1 1 5 5 U C1' C 13 91.70 . . . . . . . . . . . 5278 1 25 . 1 1 6 6 C H5 H 1 5.83 . . . . . . . . . . . 5278 1 26 . 1 1 6 6 C H6 H 1 7.99 . . . . . . . . . . . 5278 1 27 . 1 1 6 6 C H41 H 1 7.98 . . . . . . . . . . . 5278 1 28 . 1 1 6 6 C H42 H 1 7.16 . . . . . . . . . . . 5278 1 29 . 1 1 6 6 C H1' H 1 5.68 . . . . . . . . . . . 5278 1 30 . 1 1 6 6 C H2' H 1 4.11 . . . . . . . . . . . 5278 1 31 . 1 1 6 6 C H3' H 1 4.47 . . . . . . . . . . . 5278 1 32 . 1 1 6 6 C C5 C 13 98.00 . . . . . . . . . . . 5278 1 33 . 1 1 6 6 C C1' C 13 95.80 . . . . . . . . . . . 5278 1 34 . 1 1 6 6 C N3 N 15 195.70 . . . . . . . . . . . 5278 1 35 . 1 1 6 6 C N4 N 15 95.76 . . . . . . . . . . . 5278 1 36 . 1 1 7 7 C H5 H 1 5.32 . . . . . . . . . . . 5278 1 37 . 1 1 7 7 C H6 H 1 7.53 . . . . . . . . . . . 5278 1 38 . 1 1 7 7 C H41 H 1 8.36 . . . . . . . . . . . 5278 1 39 . 1 1 7 7 C H42 H 1 6.25 . . . . . . . . . . . 5278 1 40 . 1 1 7 7 C H1' H 1 3.60 . . . . . . . . . . . 5278 1 41 . 1 1 7 7 C H2' H 1 4.27 . . . . . . . . . . . 5278 1 42 . 1 1 7 7 C H3' H 1 4.24 . . . . . . . . . . . 5278 1 43 . 1 1 7 7 C C5 C 13 98.40 . . . . . . . . . . . 5278 1 44 . 1 1 7 7 C C1' C 13 94.12 . . . . . . . . . . . 5278 1 45 . 1 1 7 7 C N3 N 15 198.70 . . . . . . . . . . . 5278 1 46 . 1 1 7 7 C N4 N 15 96.23 . . . . . . . . . . . 5278 1 47 . 1 1 8 8 G H8 H 1 7.32 . . . . . . . . . . . 5278 1 48 . 1 1 8 8 G H1 H 1 12.81 . . . . . . . . . . . 5278 1 49 . 1 1 8 8 G H21 H 1 8.03 . . . . . . . . . . . 5278 1 50 . 1 1 8 8 G H22 H 1 6.31 . . . . . . . . . . . 5278 1 51 . 1 1 8 8 G H1' H 1 5.71 . . . . . . . . . . . 5278 1 52 . 1 1 8 8 G H2' H 1 4.51 . . . . . . . . . . . 5278 1 53 . 1 1 8 8 G H3' H 1 4.42 . . . . . . . . . . . 5278 1 54 . 1 1 8 8 G C1' C 13 93.20 . . . . . . . . . . . 5278 1 55 . 1 1 8 8 G N1 N 15 146.60 . . . . . . . . . . . 5278 1 56 . 1 1 8 8 G N2 N 15 75.21 . . . . . . . . . . . 5278 1 57 . 1 1 8 8 G N7 N 15 232.90 . . . . . . . . . . . 5278 1 58 . 1 1 8 8 G N9 N 15 170.40 . . . . . . . . . . . 5278 1 59 . 1 1 9 9 G H8 H 1 7.44 . . . . . . . . . . . 5278 1 60 . 1 1 9 9 G H1 H 1 13.26 . . . . . . . . . . . 5278 1 61 . 1 1 9 9 G H21 H 1 7.57 . . . . . . . . . . . 5278 1 62 . 1 1 9 9 G H22 H 1 7.36 . . . . . . . . . . . 5278 1 63 . 1 1 9 9 G H1' H 1 5.90 . . . . . . . . . . . 5278 1 64 . 1 1 9 9 G H2' H 1 3.79 . . . . . . . . . . . 5278 1 65 . 1 1 9 9 G H3' H 1 4.51 . . . . . . . . . . . 5278 1 66 . 1 1 9 9 G H5' H 1 4.18 . . . . . . . . . . . 5278 1 67 . 1 1 9 9 G H5'' H 1 5.11 . . . . . . . . . . . 5278 1 68 . 1 1 9 9 G C1' C 13 92.70 . . . . . . . . . . . 5278 1 69 . 1 1 9 9 G N1 N 15 148.70 . . . . . . . . . . . 5278 1 70 . 1 1 9 9 G N2 N 15 78.40 . . . . . . . . . . . 5278 1 71 . 1 1 9 9 G N7 N 15 232.40 . . . . . . . . . . . 5278 1 72 . 1 1 9 9 G N9 N 15 171.70 . . . . . . . . . . . 5278 1 73 . 1 1 10 10 U H5 H 1 5.47 . . . . . . . . . . . 5278 1 74 . 1 1 10 10 U H6 H 1 7.72 . . . . . . . . . . . 5278 1 75 . 1 1 10 10 U H3 H 1 12.62 . . . . . . . . . . . 5278 1 76 . 1 1 10 10 U H1' H 1 5.44 . . . . . . . . . . . 5278 1 77 . 1 1 10 10 U H2' H 1 4.00 . . . . . . . . . . . 5278 1 78 . 1 1 10 10 U H3' H 1 4.26 . . . . . . . . . . . 5278 1 79 . 1 1 10 10 U C5 C 13 105.10 . . . . . . . . . . . 5278 1 80 . 1 1 10 10 U C6 C 13 142.80 . . . . . . . . . . . 5278 1 81 . 1 1 10 10 U C1' C 13 93.10 . . . . . . . . . . . 5278 1 82 . 1 1 10 10 U N3 N 15 161.40 . . . . . . . . . . . 5278 1 83 . 1 1 11 11 CH H5 H 1 6.01 . . . . . . . . . . . 5278 1 84 . 1 1 11 11 CH H6 H 1 8.42 . . . . . . . . . . . 5278 1 85 . 1 1 11 11 CH HN3 H 1 12.56 . . . . . . . . . . . 5278 1 86 . 1 1 11 11 CH H41 H 1 11.15 . . . . . . . . . . . 5278 1 87 . 1 1 11 11 CH H42 H 1 9.85 . . . . . . . . . . . 5278 1 88 . 1 1 11 11 CH H1' H 1 6.15 . . . . . . . . . . . 5278 1 89 . 1 1 11 11 CH H2' H 1 3.97 . . . . . . . . . . . 5278 1 90 . 1 1 11 11 CH H3' H 1 4.82 . . . . . . . . . . . 5278 1 91 . 1 1 11 11 CH C5 C 13 98.20 . . . . . . . . . . . 5278 1 92 . 1 1 11 11 CH C1' C 13 90.20 . . . . . . . . . . . 5278 1 93 . 1 1 11 11 CH N3 N 15 142.70 . . . . . . . . . . . 5278 1 94 . 1 1 11 11 CH N4 N 15 115.80 . . . . . . . . . . . 5278 1 95 . 1 1 12 12 G H8 H 1 8.12 . . . . . . . . . . . 5278 1 96 . 1 1 12 12 G H1 H 1 11.81 . . . . . . . . . . . 5278 1 97 . 1 1 12 12 G H1' H 1 5.64 . . . . . . . . . . . 5278 1 98 . 1 1 12 12 G H2' H 1 4.60 . . . . . . . . . . . 5278 1 99 . 1 1 12 12 G C8 C 13 140.10 . . . . . . . . . . . 5278 1 100 . 1 1 12 12 G C1' C 13 94.06 . . . . . . . . . . . 5278 1 101 . 1 1 12 12 G N1 N 15 146.20 . . . . . . . . . . . 5278 1 102 . 1 1 12 12 G N7 N 15 234.60 . . . . . . . . . . . 5278 1 103 . 1 1 12 12 G N9 N 15 169.20 . . . . . . . . . . . 5278 1 104 . 1 1 13 13 A H2 H 1 7.69 . . . . . . . . . . . 5278 1 105 . 1 1 13 13 A H8 H 1 7.92 . . . . . . . . . . . 5278 1 106 . 1 1 13 13 A H61 H 1 8.10 . . . . . . . . . . . 5278 1 107 . 1 1 13 13 A H62 H 1 6.86 . . . . . . . . . . . 5278 1 108 . 1 1 13 13 A H1' H 1 6.01 . . . . . . . . . . . 5278 1 109 . 1 1 13 13 A H2' H 1 4.72 . . . . . . . . . . . 5278 1 110 . 1 1 13 13 A C8 C 13 139.90 . . . . . . . . . . . 5278 1 111 . 1 1 13 13 A C1' C 13 93.04 . . . . . . . . . . . 5278 1 112 . 1 1 13 13 A N1 N 15 219.90 . . . . . . . . . . . 5278 1 113 . 1 1 13 13 A N3 N 15 210.30 . . . . . . . . . . . 5278 1 114 . 1 1 13 13 A N6 N 15 88.14 . . . . . . . . . . . 5278 1 115 . 1 1 14 14 C H5 H 1 5.43 . . . . . . . . . . . 5278 1 116 . 1 1 14 14 C H6 H 1 6.91 . . . . . . . . . . . 5278 1 117 . 1 1 14 14 C H41 H 1 7.52 . . . . . . . . . . . 5278 1 118 . 1 1 14 14 C H42 H 1 7.30 . . . . . . . . . . . 5278 1 119 . 1 1 14 14 C H1' H 1 5.19 . . . . . . . . . . . 5278 1 120 . 1 1 14 14 C H2' H 1 3.67 . . . . . . . . . . . 5278 1 121 . 1 1 14 14 C H3' H 1 4.40 . . . . . . . . . . . 5278 1 122 . 1 1 14 14 C H4' H 1 4.30 . . . . . . . . . . . 5278 1 123 . 1 1 14 14 C C5 C 13 100.40 . . . . . . . . . . . 5278 1 124 . 1 1 14 14 C C1' C 13 95.21 . . . . . . . . . . . 5278 1 125 . 1 1 14 14 C C2' C 13 77.20 . . . . . . . . . . . 5278 1 126 . 1 1 14 14 C N3 N 15 196.90 . . . . . . . . . . . 5278 1 127 . 1 1 14 14 C N4 N 15 99.83 . . . . . . . . . . . 5278 1 128 . 1 1 15 15 U H5 H 1 5.93 . . . . . . . . . . . 5278 1 129 . 1 1 15 15 U H6 H 1 7.96 . . . . . . . . . . . 5278 1 130 . 1 1 15 15 U H1' H 1 6.20 . . . . . . . . . . . 5278 1 131 . 1 1 15 15 U H2' H 1 4.72 . . . . . . . . . . . 5278 1 132 . 1 1 15 15 U H3' H 1 4.48 . . . . . . . . . . . 5278 1 133 . 1 1 15 15 U C5 C 13 106.30 . . . . . . . . . . . 5278 1 134 . 1 1 15 15 U C1' C 13 89.53 . . . . . . . . . . . 5278 1 135 . 1 1 16 16 C H5 H 1 6.18 . . . . . . . . . . . 5278 1 136 . 1 1 16 16 C H6 H 1 8.21 . . . . . . . . . . . 5278 1 137 . 1 1 16 16 C H41 H 1 8.44 . . . . . . . . . . . 5278 1 138 . 1 1 16 16 C H42 H 1 7.20 . . . . . . . . . . . 5278 1 139 . 1 1 16 16 C H1' H 1 5.68 . . . . . . . . . . . 5278 1 140 . 1 1 16 16 C H2' H 1 4.72 . . . . . . . . . . . 5278 1 141 . 1 1 16 16 C H3' H 1 4.82 . . . . . . . . . . . 5278 1 142 . 1 1 16 16 C HO2' H 1 9.70 . . . . . . . . . . . 5278 1 143 . 1 1 16 16 C C5 C 13 98.14 . . . . . . . . . . . 5278 1 144 . 1 1 16 16 C C1' C 13 94.87 . . . . . . . . . . . 5278 1 145 . 1 1 16 16 C N3 N 15 199.80 . . . . . . . . . . . 5278 1 146 . 1 1 16 16 C N4 N 15 96.00 . . . . . . . . . . . 5278 1 147 . 1 1 17 17 C H5 H 1 5.68 . . . . . . . . . . . 5278 1 148 . 1 1 17 17 C H6 H 1 8.12 . . . . . . . . . . . 5278 1 149 . 1 1 17 17 C H41 H 1 8.51 . . . . . . . . . . . 5278 1 150 . 1 1 17 17 C H42 H 1 6.55 . . . . . . . . . . . 5278 1 151 . 1 1 17 17 C H1' H 1 5.94 . . . . . . . . . . . 5278 1 152 . 1 1 17 17 C H2' H 1 4.70 . . . . . . . . . . . 5278 1 153 . 1 1 17 17 C H3' H 1 4.33 . . . . . . . . . . . 5278 1 154 . 1 1 17 17 C H5' H 1 4.53 . . . . . . . . . . . 5278 1 155 . 1 1 17 17 C H5'' H 1 4.20 . . . . . . . . . . . 5278 1 156 . 1 1 17 17 C HO2' H 1 8.95 . . . . . . . . . . . 5278 1 157 . 1 1 17 17 C C5 C 13 98.54 . . . . . . . . . . . 5278 1 158 . 1 1 17 17 C C1' C 13 91.61 . . . . . . . . . . . 5278 1 159 . 1 1 17 17 C N3 N 15 196.00 . . . . . . . . . . . 5278 1 160 . 1 1 17 17 C N4 N 15 97.47 . . . . . . . . . . . 5278 1 161 . 1 1 18 18 G H8 H 1 7.50 . . . . . . . . . . . 5278 1 162 . 1 1 18 18 G H1 H 1 12.97 . . . . . . . . . . . 5278 1 163 . 1 1 18 18 G H21 H 1 8.10 . . . . . . . . . . . 5278 1 164 . 1 1 18 18 G H22 H 1 7.32 . . . . . . . . . . . 5278 1 165 . 1 1 18 18 G H1' H 1 5.49 . . . . . . . . . . . 5278 1 166 . 1 1 18 18 G H2' H 1 4.91 . . . . . . . . . . . 5278 1 167 . 1 1 18 18 G H3' H 1 4.58 . . . . . . . . . . . 5278 1 168 . 1 1 18 18 G C1' C 13 92.80 . . . . . . . . . . . 5278 1 169 . 1 1 18 18 G N1 N 15 148.80 . . . . . . . . . . . 5278 1 170 . 1 1 18 18 G N2 N 15 78.42 . . . . . . . . . . . 5278 1 171 . 1 1 18 18 G N7 N 15 233.00 . . . . . . . . . . . 5278 1 172 . 1 1 18 18 G N9 N 15 170.70 . . . . . . . . . . . 5278 1 173 . 1 1 19 19 G H8 H 1 7.06 . . . . . . . . . . . 5278 1 174 . 1 1 19 19 G H1 H 1 12.27 . . . . . . . . . . . 5278 1 175 . 1 1 19 19 G H21 H 1 8.55 . . . . . . . . . . . 5278 1 176 . 1 1 19 19 G H22 H 1 6.55 . . . . . . . . . . . 5278 1 177 . 1 1 19 19 G H1' H 1 5.84 . . . . . . . . . . . 5278 1 178 . 1 1 19 19 G H2' H 1 4.60 . . . . . . . . . . . 5278 1 179 . 1 1 19 19 G H3' H 1 4.54 . . . . . . . . . . . 5278 1 180 . 1 1 19 19 G H5' H 1 4.04 . . . . . . . . . . . 5278 1 181 . 1 1 19 19 G C1' C 13 93.90 . . . . . . . . . . . 5278 1 182 . 1 1 19 19 G N1 N 15 145.90 . . . . . . . . . . . 5278 1 183 . 1 1 19 19 G N7 N 15 232.60 . . . . . . . . . . . 5278 1 184 . 1 1 19 19 G N9 N 15 169.30 . . . . . . . . . . . 5278 1 185 . 1 1 20 20 A H2 H 1 8.55 . . . . . . . . . . . 5278 1 186 . 1 1 20 20 A H8 H 1 8.46 . . . . . . . . . . . 5278 1 187 . 1 1 20 20 A H1' H 1 6.09 . . . . . . . . . . . 5278 1 188 . 1 1 20 20 A H2' H 1 5.28 . . . . . . . . . . . 5278 1 189 . 1 1 20 20 A H3' H 1 4.56 . . . . . . . . . . . 5278 1 190 . 1 1 20 20 A N7 N 15 233.10 . . . . . . . . . . . 5278 1 191 . 1 1 20 20 A N9 N 15 171.00 . . . . . . . . . . . 5278 1 192 . 1 1 21 21 G H8 H 1 8.09 . . . . . . . . . . . 5278 1 193 . 1 1 21 21 G H1' H 1 6.50 . . . . . . . . . . . 5278 1 194 . 1 1 22 22 A H2 H 1 7.98 . . . . . . . . . . . 5278 1 195 . 1 1 22 22 A H8 H 1 8.40 . . . . . . . . . . . 5278 1 196 . 1 1 22 22 A H1' H 1 6.70 . . . . . . . . . . . 5278 1 197 . 1 1 22 22 A N7 N 15 234.20 . . . . . . . . . . . 5278 1 198 . 1 1 22 22 A N9 N 15 171.00 . . . . . . . . . . . 5278 1 199 . 1 1 23 23 A H2 H 1 8.04 . . . . . . . . . . . 5278 1 200 . 1 1 23 23 A H2' H 1 5.28 . . . . . . . . . . . 5278 1 201 . 1 1 23 23 A H3' H 1 5.13 . . . . . . . . . . . 5278 1 202 . 1 1 23 23 A N1 N 15 226.40 . . . . . . . . . . . 5278 1 203 . 1 1 23 23 A N3 N 15 216.10 . . . . . . . . . . . 5278 1 204 . 1 1 24 24 A H2 H 1 7.81 . . . . . . . . . . . 5278 1 205 . 1 1 24 24 A H8 H 1 8.10 . . . . . . . . . . . 5278 1 206 . 1 1 24 24 A H1' H 1 5.85 . . . . . . . . . . . 5278 1 207 . 1 1 24 24 A N1 N 15 225.00 . . . . . . . . . . . 5278 1 208 . 1 1 24 24 A N3 N 15 215.50 . . . . . . . . . . . 5278 1 209 . 1 1 25 25 C H5 H 1 4.93 . . . . . . . . . . . 5278 1 210 . 1 1 25 25 C H6 H 1 7.36 . . . . . . . . . . . 5278 1 211 . 1 1 25 25 C H1' H 1 5.51 . . . . . . . . . . . 5278 1 212 . 1 1 25 25 C C5 C 13 97.47 . . . . . . . . . . . 5278 1 213 . 1 1 26 26 A H2 H 1 7.52 . . . . . . . . . . . 5278 1 214 . 1 1 26 26 A H8 H 1 7.81 . . . . . . . . . . . 5278 1 215 . 1 1 26 26 A H1' H 1 5.54 . . . . . . . . . . . 5278 1 216 . 1 1 26 26 A N1 N 15 220.10 . . . . . . . . . . . 5278 1 217 . 1 1 26 26 A N3 N 15 216.20 . . . . . . . . . . . 5278 1 218 . 1 1 27 27 A H2 H 1 7.09 . . . . . . . . . . . 5278 1 219 . 1 1 27 27 A H8 H 1 7.80 . . . . . . . . . . . 5278 1 220 . 1 1 27 27 A H1' H 1 5.72 . . . . . . . . . . . 5278 1 221 . 1 1 27 27 A H2' H 1 4.67 . . . . . . . . . . . 5278 1 222 . 1 1 27 27 A N1 N 15 229.10 . . . . . . . . . . . 5278 1 223 . 1 1 27 27 A N3 N 15 213.30 . . . . . . . . . . . 5278 1 224 . 1 1 28 28 A H2 H 1 8.16 . . . . . . . . . . . 5278 1 225 . 1 1 28 28 A H8 H 1 7.81 . . . . . . . . . . . 5278 1 226 . 1 1 28 28 A H61 H 1 8.40 . . . . . . . . . . . 5278 1 227 . 1 1 28 28 A H62 H 1 7.99 . . . . . . . . . . . 5278 1 228 . 1 1 28 28 A H1' H 1 6.31 . . . . . . . . . . . 5278 1 229 . 1 1 28 28 A H2' H 1 4.89 . . . . . . . . . . . 5278 1 230 . 1 1 28 28 A N1 N 15 220.30 . . . . . . . . . . . 5278 1 231 . 1 1 28 28 A N3 N 15 214.90 . . . . . . . . . . . 5278 1 232 . 1 1 28 28 A N6 N 15 86.57 . . . . . . . . . . . 5278 1 233 . 1 1 28 28 A N7 N 15 233.40 . . . . . . . . . . . 5278 1 234 . 1 1 29 29 G H8 H 1 7.16 . . . . . . . . . . . 5278 1 235 . 1 1 29 29 G H1 H 1 13.77 . . . . . . . . . . . 5278 1 236 . 1 1 29 29 G H21 H 1 8.84 . . . . . . . . . . . 5278 1 237 . 1 1 29 29 G H22 H 1 6.64 . . . . . . . . . . . 5278 1 238 . 1 1 29 29 G H1' H 1 5.45 . . . . . . . . . . . 5278 1 239 . 1 1 29 29 G H2' H 1 4.46 . . . . . . . . . . . 5278 1 240 . 1 1 29 29 G H3' H 1 4.73 . . . . . . . . . . . 5278 1 241 . 1 1 29 29 G H4' H 1 4.57 . . . . . . . . . . . 5278 1 242 . 1 1 29 29 G H5' H 1 4.24 . . . . . . . . . . . 5278 1 243 . 1 1 29 29 G H5'' H 1 4.54 . . . . . . . . . . . 5278 1 244 . 1 1 29 29 G C1' C 13 94.06 . . . . . . . . . . . 5278 1 245 . 1 1 29 29 G N1 N 15 148.40 . . . . . . . . . . . 5278 1 246 . 1 1 29 29 G N2 N 15 77.00 . . . . . . . . . . . 5278 1 247 . 1 1 29 29 G N3 N 15 234.10 . . . . . . . . . . . 5278 1 248 . 1 1 30 30 U H5 H 1 4.81 . . . . . . . . . . . 5278 1 249 . 1 1 30 30 U H6 H 1 8.04 . . . . . . . . . . . 5278 1 250 . 1 1 30 30 U H3 H 1 14.25 . . . . . . . . . . . 5278 1 251 . 1 1 30 30 U H1' H 1 5.61 . . . . . . . . . . . 5278 1 252 . 1 1 30 30 U H2' H 1 4.49 . . . . . . . . . . . 5278 1 253 . 1 1 30 30 U H3' H 1 4.39 . . . . . . . . . . . 5278 1 254 . 1 1 30 30 U C5 C 13 102.90 . . . . . . . . . . . 5278 1 255 . 1 1 30 30 U C1' C 13 94.26 . . . . . . . . . . . 5278 1 256 . 1 1 30 30 U N3 N 15 162.40 . . . . . . . . . . . 5278 1 257 . 1 1 31 31 C H5 H 1 5.61 . . . . . . . . . . . 5278 1 258 . 1 1 31 31 C H6 H 1 7.85 . . . . . . . . . . . 5278 1 259 . 1 1 31 31 C H41 H 1 8.08 . . . . . . . . . . . 5278 1 260 . 1 1 31 31 C H42 H 1 6.79 . . . . . . . . . . . 5278 1 261 . 1 1 31 31 C H1' H 1 5.58 . . . . . . . . . . . 5278 1 262 . 1 1 31 31 C C5 C 13 98.76 . . . . . . . . . . . 5278 1 263 . 1 1 31 31 C C1' C 13 94.06 . . . . . . . . . . . 5278 1 264 . 1 1 31 31 C N3 N 15 195.30 . . . . . . . . . . . 5278 1 265 . 1 1 31 31 C N4 N 15 100.70 . . . . . . . . . . . 5278 1 266 . 1 1 32 32 A H2 H 1 6.91 . . . . . . . . . . . 5278 1 267 . 1 1 32 32 A H1' H 1 5.64 . . . . . . . . . . . 5278 1 268 . 1 1 32 32 A N1 N 15 224.90 . . . . . . . . . . . 5278 1 269 . 1 1 32 32 A N3 N 15 215.00 . . . . . . . . . . . 5278 1 270 . 1 1 33 33 A H2 H 1 7.98 . . . . . . . . . . . 5278 1 271 . 1 1 33 33 A H8 H 1 7.92 . . . . . . . . . . . 5278 1 272 . 1 1 33 33 A H1' H 1 5.72 . . . . . . . . . . . 5278 1 273 . 1 1 33 33 A N3 N 15 217.40 . . . . . . . . . . . 5278 1 274 . 1 1 33 33 A N7 N 15 235.50 . . . . . . . . . . . 5278 1 275 . 1 1 33 33 A N9 N 15 168.20 . . . . . . . . . . . 5278 1 stop_ save_