data_c17401_2l8u ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17401_2l8u _Entry.Title ; NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)2 Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1 ; _Entry.Version_type original _Entry.Submission_date 2011-01-07 _Entry.Accession_date 2011-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.0.44 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Raman Parkesh . . . c17401_2l8u 2 Matthew Fountain . A. . c17401_2l8u 3 Matthew Disney . D. . c17401_2l8u stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . c17401_2l8u stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . c17401_2l8u CUG . c17401_2l8u 'UU mismatch' . c17401_2l8u 'base pair' . c17401_2l8u 'hydrogen bonding' . c17401_2l8u stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17401_2l8u stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 47 c17401_2l8u stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 2011-02-04 2011-01-07 original author . c17401_2l8u stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID c17401_2l8u _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21204525 _Citation.Full_citation . _Citation.Title 'NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)(2) Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 599 _Citation.Page_last 601 _Citation.Year 2011 _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 Raman Parkesh . . . c17401_2l8u 1 2 Matthew Fountain . . . c17401_2l8u 1 3 Matthew Disney . D. . c17401_2l8u 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17401_2l8u _Assembly.ID 1 _Assembly.Name 5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 "RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_1" 1 $RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ A . yes native no no . . . c17401_2l8u 1 2 "RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_2" 1 $RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ B . yes native no no . . . c17401_2l8u 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ _Entity.Entry_ID c17401_2l8u _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCGCUGCGG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2862.776 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . C . c17401_2l8u 1 2 . C . c17401_2l8u 1 3 . G . c17401_2l8u 1 4 . C . c17401_2l8u 1 5 . U . c17401_2l8u 1 6 . G . c17401_2l8u 1 7 . C . c17401_2l8u 1 8 . G . c17401_2l8u 1 9 . G . c17401_2l8u 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 . C 1 1 c17401_2l8u 1 . C 2 2 c17401_2l8u 1 . G 3 3 c17401_2l8u 1 . C 4 4 c17401_2l8u 1 . U 5 5 c17401_2l8u 1 . G 6 6 c17401_2l8u 1 . C 7 7 c17401_2l8u 1 . G 8 8 c17401_2l8u 1 . G 9 9 c17401_2l8u 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 c17401_2l8u _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 $RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c17401_2l8u 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 c17401_2l8u _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 $RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17401_2l8u 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_rCCGCUGCGG _Sample.Sf_category sample _Sample.Sf_framecode rCCGCUGCGG _Sample.Entry_ID c17401_2l8u _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.2, 0.1 M NaCl, and 0.05 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 "RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')" 'natural abundance' . . 1 $RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_ . . 1.5 . . mM 0.1 . . . c17401_2l8u 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . c17401_2l8u 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c17401_2l8u _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 7.2, 0.1 M NaCl, and 0.05 mM EDTA' 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 temperature 273 . K c17401_2l8u 1 pH 7.2 . pH c17401_2l8u 1 pressure 1 . atm c17401_2l8u 1 'ionic strength' 0.1 . M c17401_2l8u 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c17401_2l8u _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c17401_2l8u 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c17401_2l8u 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c17401_2l8u _Software.ID 2 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c17401_2l8u 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c17401_2l8u 2 'data analysis' c17401_2l8u 2 'peak picking' c17401_2l8u 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17401_2l8u _Software.ID 3 _Software.Name AMBER _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . c17401_2l8u 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c17401_2l8u 3 'structure solution' c17401_2l8u 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c17401_2l8u _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c17401_2l8u _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 spectrometer_1 Varian INOVA . 500 . . . c17401_2l8u 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 c17401_2l8u _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.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.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' no 1 $NMR_spectrometer_expt 1 $rCCGCUGCGG isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17401_2l8u 1 2 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt 1 $rCCGCUGCGG isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17401_2l8u 1 3 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt 1 $rCCGCUGCGG isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17401_2l8u 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c17401_2l8u _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 $spectrometer_1 _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 c17401_2l8u _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 water protons . . . . ppm 4.65 internal direct 1 . . . . . . . . . c17401_2l8u 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_r(CCGCUGCGG) _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode r(CCGCUGCGG) _Assigned_chem_shift_list.Entry_ID c17401_2l8u _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_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 '2D DQF-COSY' . . . c17401_2l8u 1 2 '2D 1H-1H NOESY' . . . c17401_2l8u 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_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_asym_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 C H1' H 1 5.438 . . 1 . . . 1 C A H1' . c17401_2l8u 1 2 . 1 1 1 1 C H2' H 1 4.461 . . 1 . . . 1 C A H2' . c17401_2l8u 1 3 . 1 1 1 1 C H3' H 1 4.493 . . 1 . . . 1 C A H3' . c17401_2l8u 1 4 . 1 1 1 1 C H4' H 1 4.338 . . 1 . . . 1 C A H4' . c17401_2l8u 1 5 . 1 1 1 1 C H5 H 1 6.009 . . 1 . . . 1 C A H5 . c17401_2l8u 1 6 . 1 1 1 1 C H5' H 1 4.055 . . 2 . . . 1 C A H5' . c17401_2l8u 1 7 . 1 1 1 1 C H5'' H 1 3.929 . . 2 . . . 1 C A H5'' . c17401_2l8u 1 8 . 1 1 1 1 C H6 H 1 8.048 . . 1 . . . 1 C A H6 . c17401_2l8u 1 9 . 1 1 2 2 C H1' H 1 5.642 . . 1 . . . 2 C A H1' . c17401_2l8u 1 10 . 1 1 2 2 C H2' H 1 4.597 . . 1 . . . 2 C A H2' . c17401_2l8u 1 11 . 1 1 2 2 C H3' H 1 4.694 . . 1 . . . 2 C A H3' . c17401_2l8u 1 12 . 1 1 2 2 C H5 H 1 5.636 . . 1 . . . 2 C A H5 . c17401_2l8u 1 13 . 1 1 2 2 C H6 H 1 7.983 . . 1 . . . 2 C A H6 . c17401_2l8u 1 14 . 1 1 3 3 G H1' H 1 5.774 . . 1 . . . 3 G A H1' . c17401_2l8u 1 15 . 1 1 3 3 G H2' H 1 4.557 . . 1 . . . 3 G A H2' . c17401_2l8u 1 16 . 1 1 3 3 G H3' H 1 4.690 . . 1 . . . 3 G A H3' . c17401_2l8u 1 17 . 1 1 3 3 G H5'' H 1 4.185 . . 2 . . . 3 G A H5'' . c17401_2l8u 1 18 . 1 1 3 3 G H8 H 1 7.656 . . 1 . . . 3 G A H8 . c17401_2l8u 1 19 . 1 1 4 4 C H1' H 1 5.568 . . 1 . . . 4 C A H1' . c17401_2l8u 1 20 . 1 1 4 4 C H2' H 1 4.385 . . 1 . . . 4 C A H2' . c17401_2l8u 1 21 . 1 1 4 4 C H3' H 1 4.455 . . 1 . . . 4 C A H3' . c17401_2l8u 1 22 . 1 1 4 4 C H5 H 1 5.290 . . 1 . . . 4 C A H5 . c17401_2l8u 1 23 . 1 1 4 4 C H6 H 1 7.622 . . 1 . . . 4 C A H6 . c17401_2l8u 1 24 . 1 1 5 5 U H1' H 1 5.531 . . 1 . . . 5 U A H1' . c17401_2l8u 1 25 . 1 1 5 5 U H2' H 1 4.324 . . 1 . . . 5 U A H2' . c17401_2l8u 1 26 . 1 1 5 5 U H3' H 1 4.465 . . 1 . . . 5 U A H3' . c17401_2l8u 1 27 . 1 1 5 5 U H5 H 1 5.542 . . 1 . . . 5 U A H5 . c17401_2l8u 1 28 . 1 1 5 5 U H5'' H 1 4.134 . . 2 . . . 5 U A H5'' . c17401_2l8u 1 29 . 1 1 5 5 U H6 H 1 7.651 . . 1 . . . 5 U A H6 . c17401_2l8u 1 30 . 1 1 6 6 G H1' H 1 5.808 . . 1 . . . 6 G A H1' . c17401_2l8u 1 31 . 1 1 6 6 G H2' H 1 4.556 . . 1 . . . 6 G A H2' . c17401_2l8u 1 32 . 1 1 6 6 G H3' H 1 4.678 . . 1 . . . 6 G A H3' . c17401_2l8u 1 33 . 1 1 6 6 G H5' H 1 4.165 . . 2 . . . 6 G A H5' . c17401_2l8u 1 34 . 1 1 6 6 G H8 H 1 7.838 . . 1 . . . 6 G A H8 . c17401_2l8u 1 35 . 1 1 7 7 C H1' H 1 5.586 . . 1 . . . 7 C A H1' . c17401_2l8u 1 36 . 1 1 7 7 C H2' H 1 4.618 . . 1 . . . 7 C A H2' . c17401_2l8u 1 37 . 1 1 7 7 C H3' H 1 4.521 . . 1 . . . 7 C A H3' . c17401_2l8u 1 38 . 1 1 7 7 C H5 H 1 5.270 . . 1 . . . 7 C A H5 . c17401_2l8u 1 39 . 1 1 7 7 C H6 H 1 7.677 . . 1 . . . 7 C A H6 . c17401_2l8u 1 40 . 1 1 8 8 G H1' H 1 5.763 . . 1 . . . 8 G A H1' . c17401_2l8u 1 41 . 1 1 8 8 G H2' H 1 4.588 . . 1 . . . 8 G A H2' . c17401_2l8u 1 42 . 1 1 8 8 G H3' H 1 4.530 . . 1 . . . 8 G A H3' . c17401_2l8u 1 43 . 1 1 8 8 G H5'' H 1 4.141 . . 2 . . . 8 G A H5'' . c17401_2l8u 1 44 . 1 1 8 8 G H8 H 1 7.499 . . 1 . . . 8 G A H8 . c17401_2l8u 1 45 . 1 1 9 9 G H1' H 1 5.862 . . 1 . . . 9 G A H1' . c17401_2l8u 1 46 . 1 1 9 9 G H2' H 1 4.086 . . 1 . . . 9 G A H2' . c17401_2l8u 1 47 . 1 1 9 9 G H3' H 1 4.255 . . 1 . . . 9 G A H3' . c17401_2l8u 1 48 . 1 1 9 9 G H8 H 1 7.364 . . 1 . . . 9 G A H8 . c17401_2l8u 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c17401_2l8u _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c17401_2l8u _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c17401_2l8u 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c17401_2l8u 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 C C1' C -1.633 -17.277 -0.156 . . . 1.0 . . . . . . . . . . . . A . 1 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 2 . 1 1 1 C C2 C 0.141 -17.602 1.570 . . . 1.0 . . . . . . . . . . . . A . 1 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 3 . 1 1 1 C C2' C -2.971 -16.783 0.406 . . . 1.0 . . . . . . . . . . . . A . 1 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 4 . 1 1 1 C C3' C -3.723 -16.241 -0.829 . . . 1.0 . . . . . . . . . . . . A . 1 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 5 . 1 1 1 C C4 C 1.807 -16.068 1.920 . . . 1.0 . . . . . . . . . . . . A . 1 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 6 . 1 1 1 C C4' C -2.984 -16.929 -1.977 . . . 1.0 . . . . . . . . . . . . A . 1 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 7 . 1 1 1 C C5 C 1.244 -15.156 0.985 . . . 1.0 . . . . . . . . . . . . A . 1 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 8 . 1 1 1 C C5' C -3.140 -16.214 -3.332 . . . 1.0 . . . . . . . . . . . . A . 1 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 9 . 1 1 1 C C6 C 0.109 -15.538 0.346 . . . 1.0 . . . . . . . . . . . . A . 1 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 10 . 1 1 1 C H1' H -1.643 -18.367 -0.073 . . . 1.0 . . . . . . . . . . . . A . 1 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 11 . 1 1 1 C H2' H -2.827 -15.983 1.133 . . . 1.0 . . . . . . . . . . . . A . 1 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 12 . 1 1 1 C H3' H -3.549 -15.165 -0.910 . . . 1.0 . . . . . . . . . . . . A . 1 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 13 . 1 1 1 C H4' H -3.354 -17.952 -2.069 . . . 1.0 . . . . . . . . . . . . A . 1 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 14 . 1 1 1 C H41 H 3.243 -16.447 3.251 . . . 1.0 . . . . . . . . . . . . A . 1 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 15 . 1 1 1 C H42 H 3.387 -14.916 2.382 . . . 1.0 . . . . . . . . . . . . A . 1 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 16 . 1 1 1 C H5 H 1.691 -14.198 0.766 . . . 1.0 . . . . . . . . . . . . A . 1 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 17 . 1 1 1 C H5' H -4.198 -15.995 -3.475 . . . 1.0 . . . . . . . . . . . . A . 1 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 18 . 1 1 1 C H5'' H -2.598 -15.267 -3.320 . . . 1.0 . . . . . . . . . . . . A . 1 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 19 . 1 1 1 C H6 H -0.359 -14.883 -0.383 . . . 1.0 . . . . . . . . . . . . A . 1 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 20 . 1 1 1 C HO2' H -4.426 -17.672 1.365 . . . 1.0 . . . . . . . . . . . . A . 1 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 21 . 1 1 1 C HO5' H -2.816 -16.570 -5.252 . . . 1.0 . . . . . . . . . . . . A . 1 C HO5' . . . . . . . . . c17401_2l8u 1 . 1 . 22 . 1 1 1 C N1 N -0.447 -16.772 0.601 . . . 1.0 . . . . . . . . . . . . A . 1 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 23 . 1 1 1 C N3 N 1.276 -17.232 2.209 . . . 1.0 . . . . . . . . . . . . A . 1 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 24 . 1 1 1 C N4 N 2.907 -15.782 2.563 . . . 1.0 . . . . . . . . . . . . A . 1 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 25 . 1 1 1 C O2 O -0.336 -18.693 1.892 . . . 1.0 . . . . . . . . . . . . A . 1 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 26 . 1 1 1 C O2' O -3.566 -17.931 1.001 . . . 1.0 . . . . . . . . . . . . A . 1 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 27 . 1 1 1 C O3' O -5.112 -16.543 -0.868 . . . 1.0 . . . . . . . . . . . . A . 1 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 28 . 1 1 1 C O4' O -1.630 -16.946 -1.539 . . . 1.0 . . . . . . . . . . . . A . 1 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 29 . 1 1 1 C O5' O -2.666 -17.034 -4.399 . . . 1.0 . . . . . . . . . . . . A . 1 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 30 . 1 1 2 C C1' C -3.891 -17.333 5.167 . . . 1.0 . . . . . . . . . . . . A . 2 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 31 . 1 1 2 C C2 C -1.603 -16.877 6.047 . . . 1.0 . . . . . . . . . . . . A . 2 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 32 . 1 1 2 C C2' C -4.838 -16.618 6.130 . . . 1.0 . . . . . . . . . . . . A . 2 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 33 . 1 1 2 C C3' C -5.562 -15.656 5.182 . . . 1.0 . . . . . . . . . . . . A . 2 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 34 . 1 1 2 C C4 C -0.153 -15.438 5.004 . . . 1.0 . . . . . . . . . . . . A . 2 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 35 . 1 1 2 C C4' C -5.717 -16.532 3.937 . . . 1.0 . . . . . . . . . . . . A . 2 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 36 . 1 1 2 C C5 C -1.071 -15.161 3.959 . . . 1.0 . . . . . . . . . . . . A . 2 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 37 . 1 1 2 C C5' C -5.868 -15.661 2.677 . . . 1.0 . . . . . . . . . . . . A . 2 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 38 . 1 1 2 C C6 C -2.285 -15.759 4.032 . . . 1.0 . . . . . . . . . . . . A . 2 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 39 . 1 1 2 C H1' H -3.720 -18.348 5.548 . . . 1.0 . . . . . . . . . . . . A . 2 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 40 . 1 1 2 C H2' H -4.290 -16.068 6.889 . . . 1.0 . . . . . . . . . . . . A . 2 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 41 . 1 1 2 C H3' H -4.892 -14.828 4.937 . . . 1.0 . . . . . . . . . . . . A . 2 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 42 . 1 1 2 C H4' H -6.602 -17.151 4.054 . . . 1.0 . . . . . . . . . . . . A . 2 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 43 . 1 1 2 C H41 H 1.646 -15.046 5.776 . . . 1.0 . . . . . . . . . . . . A . 2 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 44 . 1 1 2 C H42 H 1.239 -14.213 4.275 . . . 1.0 . . . . . . . . . . . . A . 2 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 45 . 1 1 2 C H5 H -0.839 -14.503 3.136 . . . 1.0 . . . . . . . . . . . . A . 2 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 46 . 1 1 2 C H5' H -6.756 -15.039 2.797 . . . 1.0 . . . . . . . . . . . . A . 2 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 47 . 1 1 2 C H5'' H -5.006 -15.001 2.582 . . . 1.0 . . . . . . . . . . . . A . 2 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 48 . 1 1 2 C H6 H -3.033 -15.553 3.281 . . . 1.0 . . . . . . . . . . . . A . 2 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 49 . 1 1 2 C HO2' H -6.484 -17.148 7.054 . . . 1.0 . . . . . . . . . . . . A . 2 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 50 . 1 1 2 C N1 N -2.573 -16.622 5.064 . . . 1.0 . . . . . . . . . . . . A . 2 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 51 . 1 1 2 C N3 N -0.390 -16.280 5.996 . . . 1.0 . . . . . . . . . . . . A . 2 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 52 . 1 1 2 C N4 N 1.002 -14.844 5.020 . . . 1.0 . . . . . . . . . . . . A . 2 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 53 . 1 1 2 C O2 O -1.823 -17.611 7.008 . . . 1.0 . . . . . . . . . . . . A . 2 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 54 . 1 1 2 C O2' O -5.695 -17.602 6.702 . . . 1.0 . . . . . . . . . . . . A . 2 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 55 . 1 1 2 C O3' O -6.792 -15.156 5.692 . . . 1.0 . . . . . . . . . . . . A . 2 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 56 . 1 1 2 C O4' O -4.555 -17.366 3.899 . . . 1.0 . . . . . . . . . . . . A . 2 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 57 . 1 1 2 C O5' O -6.007 -16.450 1.504 . . . 1.0 . . . . . . . . . . . . A . 2 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 58 . 1 1 2 C OP1 O -7.512 -16.129 -0.473 . . . 1.0 . . . . . . . . . . . . A . 2 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 59 . 1 1 2 C OP2 O -5.757 -14.344 0.106 . . . 1.0 . . . . . . . . . . . . A . 2 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 60 . 1 1 2 C P P -6.170 -15.771 0.048 . . . 1.0 . . . . . . . . . . . . A . 2 C P . . . . . . . . . c17401_2l8u 1 . 1 . 61 . 1 1 3 G C1' C -3.519 -15.653 10.528 . . . 1.0 . . . . . . . . . . . . A . 3 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 62 . 1 1 3 G C2 C 0.494 -14.384 11.704 . . . 1.0 . . . . . . . . . . . . A . 3 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 63 . 1 1 3 G C2' C -4.135 -14.796 11.644 . . . 1.0 . . . . . . . . . . . . A . 3 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 64 . 1 1 3 G C3' C -5.327 -14.167 10.915 . . . 1.0 . . . . . . . . . . . . A . 3 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 65 . 1 1 3 G C4 C -1.240 -14.549 10.278 . . . 1.0 . . . . . . . . . . . . A . 3 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 66 . 1 1 3 G C4' C -5.771 -15.378 10.089 . . . 1.0 . . . . . . . . . . . . A . 3 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 67 . 1 1 3 G C5 C -0.583 -13.888 9.260 . . . 1.0 . . . . . . . . . . . . A . 3 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 68 . 1 1 3 G C5' C -6.712 -15.021 8.938 . . . 1.0 . . . . . . . . . . . . A . 3 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 69 . 1 1 3 G C6 C 0.769 -13.449 9.496 . . . 1.0 . . . . . . . . . . . . A . 3 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 70 . 1 1 3 G C8 C -2.517 -14.374 8.512 . . . 1.0 . . . . . . . . . . . . A . 3 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 71 . 1 1 3 G H1 H 2.156 -13.429 11.010 . . . 1.0 . . . . . . . . . . . . A . 3 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 72 . 1 1 3 G H1' H -3.038 -16.521 10.984 . . . 1.0 . . . . . . . . . . . . A . 3 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 73 . 1 1 3 G H2' H -3.443 -14.020 11.991 . . . 1.0 . . . . . . . . . . . . A . 3 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 74 . 1 1 3 G H21 H 1.978 -14.225 13.084 . . . 1.0 . . . . . . . . . . . . A . 3 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 75 . 1 1 3 G H22 H 0.495 -15.030 13.581 . . . 1.0 . . . . . . . . . . . . A . 3 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 76 . 1 1 3 G H3' H -4.975 -13.382 10.241 . . . 1.0 . . . . . . . . . . . . A . 3 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 77 . 1 1 3 G H4' H -6.307 -16.055 10.757 . . . 1.0 . . . . . . . . . . . . A . 3 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 78 . 1 1 3 G H5' H -7.095 -15.941 8.497 . . . 1.0 . . . . . . . . . . . . A . 3 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 79 . 1 1 3 G H5'' H -7.558 -14.471 9.353 . . . 1.0 . . . . . . . . . . . . A . 3 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 80 . 1 1 3 G H8 H -3.392 -14.469 7.880 . . . 1.0 . . . . . . . . . . . . A . 3 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 81 . 1 1 3 G HO2' H -5.267 -15.235 13.203 . . . 1.0 . . . . . . . . . . . . A . 3 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 82 . 1 1 3 G N1 N 1.223 -13.730 10.770 . . . 1.0 . . . . . . . . . . . . A . 3 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 83 . 1 1 3 G N2 N 1.043 -14.569 12.873 . . . 1.0 . . . . . . . . . . . . A . 3 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 84 . 1 1 3 G N3 N -0.752 -14.823 11.526 . . . 1.0 . . . . . . . . . . . . A . 3 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 85 . 1 1 3 G N7 N -1.419 -13.761 8.143 . . . 1.0 . . . . . . . . . . . . A . 3 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 86 . 1 1 3 G N9 N -2.481 -14.893 9.784 . . . 1.0 . . . . . . . . . . . . A . 3 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 87 . 1 1 3 G O2' O -4.528 -15.659 12.720 . . . 1.0 . . . . . . . . . . . . A . 3 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 88 . 1 1 3 G O3' O -6.315 -13.681 11.818 . . . 1.0 . . . . . . . . . . . . A . 3 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 89 . 1 1 3 G O4' O -4.578 -16.043 9.651 . . . 1.0 . . . . . . . . . . . . A . 3 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 90 . 1 1 3 G O5' O -6.079 -14.229 7.945 . . . 1.0 . . . . . . . . . . . . A . 3 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 91 . 1 1 3 G O6 O 1.543 -12.875 8.731 . . . 1.0 . . . . . . . . . . . . A . 3 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 92 . 1 1 3 G OP1 O -8.271 -13.555 6.917 . . . 1.0 . . . . . . . . . . . . A . 3 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 93 . 1 1 3 G OP2 O -6.061 -12.766 5.922 . . . 1.0 . . . . . . . . . . . . A . 3 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 94 . 1 1 3 G P P -6.847 -13.826 6.597 . . . 1.0 . . . . . . . . . . . . A . 3 G P . . . . . . . . . c17401_2l8u 1 . 1 . 95 . 1 1 4 C C1' C -1.090 -11.734 13.778 . . . 1.0 . . . . . . . . . . . . A . 4 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 96 . 1 1 4 C C2 C 0.425 -10.674 12.123 . . . 1.0 . . . . . . . . . . . . A . 4 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 97 . 1 1 4 C C2' C -1.389 -10.587 14.745 . . . 1.0 . . . . . . . . . . . . A . 4 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 98 . 1 1 4 C C3' C -2.917 -10.553 14.789 . . . 1.0 . . . . . . . . . . . . A . 4 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 99 . 1 1 4 C C4 C -0.222 -10.144 9.999 . . . 1.0 . . . . . . . . . . . . A . 4 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 100 . 1 1 4 C C4' C -3.198 -12.059 14.713 . . . 1.0 . . . . . . . . . . . . A . 4 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 101 . 1 1 4 C C5 C -1.554 -10.586 10.230 . . . 1.0 . . . . . . . . . . . . A . 4 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 102 . 1 1 4 C C5' C -4.636 -12.385 14.282 . . . 1.0 . . . . . . . . . . . . A . 4 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 103 . 1 1 4 C C6 C -1.831 -11.139 11.439 . . . 1.0 . . . . . . . . . . . . A . 4 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 104 . 1 1 4 C H1' H -0.202 -12.258 14.127 . . . 1.0 . . . . . . . . . . . . A . 4 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 105 . 1 1 4 C H2' H -0.999 -9.642 14.368 . . . 1.0 . . . . . . . . . . . . A . 4 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 106 . 1 1 4 C H3' H -3.318 -10.080 13.890 . . . 1.0 . . . . . . . . . . . . A . 4 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 107 . 1 1 4 C H4' H -3.050 -12.484 15.707 . . . 1.0 . . . . . . . . . . . . A . 4 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 108 . 1 1 4 C H41 H 1.062 -9.332 8.729 . . . 1.0 . . . . . . . . . . . . A . 4 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 109 . 1 1 4 C H42 H -0.594 -9.546 8.138 . . . 1.0 . . . . . . . . . . . . A . 4 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 110 . 1 1 4 C H5 H -2.325 -10.516 9.485 . . . 1.0 . . . . . . . . . . . . A . 4 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 111 . 1 1 4 C H5' H -4.785 -13.462 14.337 . . . 1.0 . . . . . . . . . . . . A . 4 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 112 . 1 1 4 C H5'' H -5.313 -11.910 14.991 . . . 1.0 . . . . . . . . . . . . A . 4 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 113 . 1 1 4 C H6 H -2.837 -11.506 11.650 . . . 1.0 . . . . . . . . . . . . A . 4 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 114 . 1 1 4 C HO2' H -1.349 -10.537 16.711 . . . 1.0 . . . . . . . . . . . . A . 4 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 115 . 1 1 4 C N1 N -0.846 -11.202 12.401 . . . 1.0 . . . . . . . . . . . . A . 4 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 116 . 1 1 4 C N3 N 0.725 -10.147 10.913 . . . 1.0 . . . . . . . . . . . . A . 4 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 117 . 1 1 4 C N4 N 0.110 -9.660 8.845 . . . 1.0 . . . . . . . . . . . . A . 4 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 118 . 1 1 4 C O2 O 1.323 -10.644 12.973 . . . 1.0 . . . . . . . . . . . . A . 4 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 119 . 1 1 4 C O2' O -0.827 -10.960 16.001 . . . 1.0 . . . . . . . . . . . . A . 4 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 120 . 1 1 4 C O3' O -3.413 -9.942 15.973 . . . 1.0 . . . . . . . . . . . . A . 4 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 121 . 1 1 4 C O4' O -2.216 -12.612 13.833 . . . 1.0 . . . . . . . . . . . . A . 4 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 122 . 1 1 4 C O5' O -4.916 -11.912 12.971 . . . 1.0 . . . . . . . . . . . . A . 4 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 123 . 1 1 4 C OP1 O -7.404 -11.974 13.286 . . . 1.0 . . . . . . . . . . . . A . 4 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 124 . 1 1 4 C OP2 O -6.370 -11.299 11.046 . . . 1.0 . . . . . . . . . . . . A . 4 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 125 . 1 1 4 C P P -6.338 -12.141 12.266 . . . 1.0 . . . . . . . . . . . . A . 4 C P . . . . . . . . . c17401_2l8u 1 . 1 . 126 . 1 1 5 U C1' C 1.005 -6.303 14.233 . . . 1.0 . . . . . . . . . . . . A . 5 U C1' . . . . . . . . . c17401_2l8u 1 . 1 . 127 . 1 1 5 U C2 C 1.609 -5.706 11.899 . . . 1.0 . . . . . . . . . . . . A . 5 U C2 . . . . . . . . . c17401_2l8u 1 . 1 . 128 . 1 1 5 U C2' C 0.678 -4.971 14.947 . . . 1.0 . . . . . . . . . . . . A . 5 U C2' . . . . . . . . . c17401_2l8u 1 . 1 . 129 . 1 1 5 U C3' C -0.326 -5.330 16.065 . . . 1.0 . . . . . . . . . . . . A . 5 U C3' . . . . . . . . . c17401_2l8u 1 . 1 . 130 . 1 1 5 U C4 C 0.185 -6.257 9.985 . . . 1.0 . . . . . . . . . . . . A . 5 U C4 . . . . . . . . . c17401_2l8u 1 . 1 . 131 . 1 1 5 U C4' C -0.097 -6.837 16.176 . . . 1.0 . . . . . . . . . . . . A . 5 U C4' . . . . . . . . . c17401_2l8u 1 . 1 . 132 . 1 1 5 U C5 C -0.714 -6.945 10.931 . . . 1.0 . . . . . . . . . . . . A . 5 U C5 . . . . . . . . . c17401_2l8u 1 . 1 . 133 . 1 1 5 U C5' C -1.326 -7.584 16.687 . . . 1.0 . . . . . . . . . . . . A . 5 U C5' . . . . . . . . . c17401_2l8u 1 . 1 . 134 . 1 1 5 U C6 C -0.399 -6.969 12.258 . . . 1.0 . . . . . . . . . . . . A . 5 U C6 . . . . . . . . . c17401_2l8u 1 . 1 . 135 . 1 1 5 U H1' H 2.077 -6.473 14.352 . . . 1.0 . . . . . . . . . . . . A . 5 U H1' . . . . . . . . . c17401_2l8u 1 . 1 . 136 . 1 1 5 U H2' H 0.223 -4.256 14.259 . . . 1.0 . . . . . . . . . . . . A . 5 U H2' . . . . . . . . . c17401_2l8u 1 . 1 . 137 . 1 1 5 U H3 H 2.036 -5.316 9.955 . . . 1.0 . . . . . . . . . . . . A . 5 U H3 . . . . . . . . . c17401_2l8u 1 . 1 . 138 . 1 1 5 U H3' H -1.348 -5.126 15.738 . . . 1.0 . . . . . . . . . . . . A . 5 U H3' . . . . . . . . . c17401_2l8u 1 . 1 . 139 . 1 1 5 U H4' H 0.724 -6.991 16.878 . . . 1.0 . . . . . . . . . . . . A . 5 U H4' . . . . . . . . . c17401_2l8u 1 . 1 . 140 . 1 1 5 U H5 H -1.606 -7.445 10.573 . . . 1.0 . . . . . . . . . . . . A . 5 U H5 . . . . . . . . . c17401_2l8u 1 . 1 . 141 . 1 1 5 U H5' H -1.054 -8.585 17.018 . . . 1.0 . . . . . . . . . . . . A . 5 U H5' . . . . . . . . . c17401_2l8u 1 . 1 . 142 . 1 1 5 U H5'' H -1.683 -7.033 17.557 . . . 1.0 . . . . . . . . . . . . A . 5 U H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 143 . 1 1 5 U H6 H -1.051 -7.506 12.937 . . . 1.0 . . . . . . . . . . . . A . 5 U H6 . . . . . . . . . c17401_2l8u 1 . 1 . 144 . 1 1 5 U HO2' H 1.705 -3.604 15.923 . . . 1.0 . . . . . . . . . . . . A . 5 U HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 145 . 1 1 5 U N1 N 0.709 -6.320 12.763 . . . 1.0 . . . . . . . . . . . . A . 5 U N1 . . . . . . . . . c17401_2l8u 1 . 1 . 146 . 1 1 5 U N3 N 1.348 -5.736 10.564 . . . 1.0 . . . . . . . . . . . . A . 5 U N3 . . . . . . . . . c17401_2l8u 1 . 1 . 147 . 1 1 5 U O2 O 2.643 -5.173 12.256 . . . 1.0 . . . . . . . . . . . . A . 5 U O2 . . . . . . . . . c17401_2l8u 1 . 1 . 148 . 1 1 5 U O2' O 1.905 -4.459 15.452 . . . 1.0 . . . . . . . . . . . . A . 5 U O2' . . . . . . . . . c17401_2l8u 1 . 1 . 149 . 1 1 5 U O3' O -0.091 -4.714 17.335 . . . 1.0 . . . . . . . . . . . . A . 5 U O3' . . . . . . . . . c17401_2l8u 1 . 1 . 150 . 1 1 5 U O4 O -0.003 -6.162 8.761 . . . 1.0 . . . . . . . . . . . . A . 5 U O4 . . . . . . . . . c17401_2l8u 1 . 1 . 151 . 1 1 5 U O4' O 0.307 -7.333 14.924 . . . 1.0 . . . . . . . . . . . . A . 5 U O4' . . . . . . . . . c17401_2l8u 1 . 1 . 152 . 1 1 5 U O5' O -2.375 -7.612 15.733 . . . 1.0 . . . . . . . . . . . . A . 5 U O5' . . . . . . . . . c17401_2l8u 1 . 1 . 153 . 1 1 5 U OP1 O -4.190 -8.093 17.420 . . . 1.0 . . . . . . . . . . . . A . 5 U OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 154 . 1 1 5 U OP2 O -4.682 -8.030 14.912 . . . 1.0 . . . . . . . . . . . . A . 5 U OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 155 . 1 1 5 U P P -3.764 -8.374 16.026 . . . 1.0 . . . . . . . . . . . . A . 5 U P . . . . . . . . . c17401_2l8u 1 . 1 . 156 . 1 1 6 G C1' C 1.565 -1.117 12.975 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 157 . 1 1 6 G C2 C 3.235 -1.018 8.961 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 158 . 1 1 6 G C2' C 1.124 0.346 13.031 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 159 . 1 1 6 G C3' C 0.073 0.360 14.142 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 160 . 1 1 6 G C4 C 1.734 -1.676 10.511 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 161 . 1 1 6 G C4' C 0.615 -0.754 15.039 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 162 . 1 1 6 G C5 C 0.962 -2.376 9.604 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 163 . 1 1 6 G C5' C -0.451 -1.352 15.962 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 164 . 1 1 6 G C6 C 1.398 -2.407 8.229 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 165 . 1 1 6 G C8 C -0.011 -2.556 11.496 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 166 . 1 1 6 G H1 H 2.885 -1.623 7.049 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 167 . 1 1 6 G H1' H 2.661 -1.125 12.954 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 168 . 1 1 6 G H2' H 0.652 0.631 12.100 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 169 . 1 1 6 G H21 H 4.519 -0.201 7.624 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 170 . 1 1 6 G H22 H 4.777 0.191 9.334 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 171 . 1 1 6 G H3' H -0.881 0.035 13.725 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 172 . 1 1 6 G H4' H 1.455 -0.368 15.621 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 173 . 1 1 6 G H5' H -0.958 -0.551 16.503 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 174 . 1 1 6 G H5'' H -1.180 -1.886 15.349 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 175 . 1 1 6 G H8 H -0.699 -2.833 12.287 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 176 . 1 1 6 G HO2' H 1.971 2.065 13.453 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 177 . 1 1 6 G N1 N 2.541 -1.660 7.994 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 178 . 1 1 6 G N2 N 4.281 -0.302 8.608 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 179 . 1 1 6 G N3 N 2.891 -0.992 10.245 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 180 . 1 1 6 G N7 N -0.148 -2.938 10.246 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 181 . 1 1 6 G N9 N 1.096 -1.774 11.729 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 182 . 1 1 6 G O2' O 2.267 1.142 13.331 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 183 . 1 1 6 G O3' O -0.075 1.620 14.795 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 184 . 1 1 6 G O4' O 1.064 -1.756 14.137 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 185 . 1 1 6 G O5' O 0.163 -2.235 16.887 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 186 . 1 1 6 G O6 O 0.898 -2.982 7.260 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 187 . 1 1 6 G OP1 O -0.354 -3.103 19.194 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 188 . 1 1 6 G OP2 O -2.119 -3.237 17.358 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 189 . 1 1 6 G P P -0.692 -3.291 17.760 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . c17401_2l8u 1 . 1 . 190 . 1 1 7 C C1' C 2.874 3.860 9.731 . . . 1.0 . . . . . . . . . . . . A . 7 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 191 . 1 1 7 C C2 C 2.155 2.584 7.677 . . . 1.0 . . . . . . . . . . . . A . 7 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 192 . 1 1 7 C C2' C 2.582 5.301 9.293 . . . 1.0 . . . . . . . . . . . . A . 7 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 193 . 1 1 7 C C3' C 1.482 5.759 10.261 . . . 1.0 . . . . . . . . . . . . A . 7 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 194 . 1 1 7 C C4 C 0.474 1.011 7.757 . . . 1.0 . . . . . . . . . . . . A . 7 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 195 . 1 1 7 C C4' C 1.768 4.916 11.516 . . . 1.0 . . . . . . . . . . . . A . 7 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 196 . 1 1 7 C C5 C 0.356 1.133 9.159 . . . 1.0 . . . . . . . . . . . . A . 7 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 197 . 1 1 7 C C5' C 0.433 4.401 12.103 . . . 1.0 . . . . . . . . . . . . A . 7 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 198 . 1 1 7 C C6 C 1.167 2.020 9.776 . . . 1.0 . . . . . . . . . . . . A . 7 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 199 . 1 1 7 C H1' H 3.923 3.644 9.498 . . . 1.0 . . . . . . . . . . . . A . 7 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 200 . 1 1 7 C H2' H 2.224 5.337 8.265 . . . 1.0 . . . . . . . . . . . . A . 7 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 201 . 1 1 7 C H3' H 0.515 5.483 9.835 . . . 1.0 . . . . . . . . . . . . A . 7 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 202 . 1 1 7 C H4' H 2.265 5.553 12.257 . . . 1.0 . . . . . . . . . . . . A . 7 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 203 . 1 1 7 C H41 H -0.116 -0.019 6.146 . . . 1.0 . . . . . . . . . . . . A . 7 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 204 . 1 1 7 C H42 H -0.961 -0.375 7.642 . . . 1.0 . . . . . . . . . . . . A . 7 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 205 . 1 1 7 C H5 H -0.308 0.525 9.747 . . . 1.0 . . . . . . . . . . . . A . 7 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 206 . 1 1 7 C H5' H -0.147 5.264 12.437 . . . 1.0 . . . . . . . . . . . . A . 7 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 207 . 1 1 7 C H5'' H -0.136 3.900 11.319 . . . 1.0 . . . . . . . . . . . . A . 7 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 208 . 1 1 7 C H6 H 1.154 2.080 10.854 . . . 1.0 . . . . . . . . . . . . A . 7 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 209 . 1 1 7 C HO2' H 3.511 6.987 9.665 . . . 1.0 . . . . . . . . . . . . A . 7 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 210 . 1 1 7 C N1 N 2.021 2.822 9.056 . . . 1.0 . . . . . . . . . . . . A . 7 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 211 . 1 1 7 C N3 N 1.377 1.663 7.048 . . . 1.0 . . . . . . . . . . . . A . 7 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 212 . 1 1 7 C N4 N -0.277 0.153 7.131 . . . 1.0 . . . . . . . . . . . . A . 7 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 213 . 1 1 7 C O2 O 2.966 3.198 6.983 . . . 1.0 . . . . . . . . . . . . A . 7 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 214 . 1 1 7 C O2' O 3.775 6.074 9.435 . . . 1.0 . . . . . . . . . . . . A . 7 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 215 . 1 1 7 C O3' O 1.512 7.164 10.508 . . . 1.0 . . . . . . . . . . . . A . 7 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 216 . 1 1 7 C O4' O 2.676 3.870 11.143 . . . 1.0 . . . . . . . . . . . . A . 7 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 217 . 1 1 7 C O5' O 0.616 3.515 13.202 . . . 1.0 . . . . . . . . . . . . A . 7 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 218 . 1 1 7 C OP1 O -1.087 3.902 15.034 . . . 1.0 . . . . . . . . . . . . A . 7 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 219 . 1 1 7 C OP2 O -1.634 2.444 13.013 . . . 1.0 . . . . . . . . . . . . A . 7 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 220 . 1 1 7 C P P -0.648 2.911 14.014 . . . 1.0 . . . . . . . . . . . . A . 7 C P . . . . . . . . . c17401_2l8u 1 . 1 . 221 . 1 1 8 G C1' C 1.240 5.967 4.957 . . . 1.0 . . . . . . . . . . . . A . 8 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 222 . 1 1 8 G C2 C -0.275 2.920 2.298 . . . 1.0 . . . . . . . . . . . . A . 8 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 223 . 1 1 8 G C2' C 0.486 7.072 4.216 . . . 1.0 . . . . . . . . . . . . A . 8 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 224 . 1 1 8 G C3' C 0.136 8.001 5.392 . . . 1.0 . . . . . . . . . . . . A . 8 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 225 . 1 1 8 G C4 C -0.112 3.933 4.292 . . . 1.0 . . . . . . . . . . . . A . 8 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 226 . 1 1 8 G C4' C 1.451 7.899 6.171 . . . 1.0 . . . . . . . . . . . . A . 8 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 227 . 1 1 8 G C5 C -1.003 3.094 4.914 . . . 1.0 . . . . . . . . . . . . A . 8 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 228 . 1 1 8 G C5' C 1.408 8.458 7.595 . . . 1.0 . . . . . . . . . . . . A . 8 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 229 . 1 1 8 G C6 C -1.581 2.038 4.133 . . . 1.0 . . . . . . . . . . . . A . 8 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 230 . 1 1 8 G C8 C -0.345 4.502 6.390 . . . 1.0 . . . . . . . . . . . . A . 8 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 231 . 1 1 8 G H1 H -1.504 1.286 2.229 . . . 1.0 . . . . . . . . . . . . A . 8 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 232 . 1 1 8 G H1' H 2.045 5.594 4.324 . . . 1.0 . . . . . . . . . . . . A . 8 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 233 . 1 1 8 G H2' H -0.411 6.680 3.732 . . . 1.0 . . . . . . . . . . . . A . 8 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 234 . 1 1 8 G H21 H -0.390 2.061 0.473 . . . 1.0 . . . . . . . . . . . . A . 8 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 235 . 1 1 8 G H22 H 0.670 3.457 0.618 . . . 1.0 . . . . . . . . . . . . A . 8 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 236 . 1 1 8 G H3' H -0.661 7.552 5.993 . . . 1.0 . . . . . . . . . . . . A . 8 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 237 . 1 1 8 G H4' H 2.217 8.442 5.617 . . . 1.0 . . . . . . . . . . . . A . 8 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 238 . 1 1 8 G H5' H 2.381 8.277 8.054 . . . 1.0 . . . . . . . . . . . . A . 8 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 239 . 1 1 8 G H5'' H 1.254 9.539 7.545 . . . 1.0 . . . . . . . . . . . . A . 8 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 240 . 1 1 8 G H8 H -0.193 5.019 7.330 . . . 1.0 . . . . . . . . . . . . A . 8 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 241 . 1 1 8 G HO2' H 1.395 7.082 2.473 . . . 1.0 . . . . . . . . . . . . A . 8 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 242 . 1 1 8 G N1 N -1.151 2.020 2.823 . . . 1.0 . . . . . . . . . . . . A . 8 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 243 . 1 1 8 G N2 N 0.037 2.794 1.035 . . . 1.0 . . . . . . . . . . . . A . 8 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 244 . 1 1 8 G N3 N 0.287 3.908 2.986 . . . 1.0 . . . . . . . . . . . . A . 8 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 245 . 1 1 8 G N7 N -1.154 3.483 6.254 . . . 1.0 . . . . . . . . . . . . A . 8 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 246 . 1 1 8 G N9 N 0.313 4.839 5.234 . . . 1.0 . . . . . . . . . . . . A . 8 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 247 . 1 1 8 G O2' O 1.369 7.664 3.259 . . . 1.0 . . . . . . . . . . . . A . 8 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 248 . 1 1 8 G O3' O -0.200 9.336 5.004 . . . 1.0 . . . . . . . . . . . . A . 8 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 249 . 1 1 8 G O4' O 1.787 6.529 6.142 . . . 1.0 . . . . . . . . . . . . A . 8 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 250 . 1 1 8 G O5' O 0.390 7.832 8.381 . . . 1.0 . . . . . . . . . . . . A . 8 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 251 . 1 1 8 G O6 O -2.380 1.175 4.470 . . . 1.0 . . . . . . . . . . . . A . 8 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 252 . 1 1 8 G OP1 O 0.654 9.489 10.268 . . . 1.0 . . . . . . . . . . . . A . 8 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 253 . 1 1 8 G OP2 O -0.949 7.513 10.481 . . . 1.0 . . . . . . . . . . . . A . 8 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 254 . 1 1 8 G P P 0.318 8.079 9.969 . . . 1.0 . . . . . . . . . . . . A . 8 G P . . . . . . . . . c17401_2l8u 1 . 1 . 255 . 1 1 9 G C1' C -2.361 5.969 0.616 . . . 1.0 . . . . . . . . . . . . A . 9 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 256 . 1 1 9 G C2 C -4.395 2.122 0.234 . . . 1.0 . . . . . . . . . . . . A . 9 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 257 . 1 1 9 G C2' C -3.432 6.812 -0.110 . . . 1.0 . . . . . . . . . . . . A . 9 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 258 . 1 1 9 G C3' C -3.345 8.155 0.631 . . . 1.0 . . . . . . . . . . . . A . 9 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 259 . 1 1 9 G C4 C -3.631 3.900 1.383 . . . 1.0 . . . . . . . . . . . . A . 9 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 260 . 1 1 9 G C4' C -1.843 8.214 0.917 . . . 1.0 . . . . . . . . . . . . A . 9 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 261 . 1 1 9 G C5 C -4.176 3.499 2.575 . . . 1.0 . . . . . . . . . . . . A . 9 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 262 . 1 1 9 G C5' C -1.443 9.211 2.023 . . . 1.0 . . . . . . . . . . . . A . 9 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 263 . 1 1 9 G C6 C -4.933 2.247 2.571 . . . 1.0 . . . . . . . . . . . . A . 9 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 264 . 1 1 9 G C8 C -3.213 5.354 2.966 . . . 1.0 . . . . . . . . . . . . A . 9 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 265 . 1 1 9 G H1 H -5.472 0.758 1.263 . . . 1.0 . . . . . . . . . . . . A . 9 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 266 . 1 1 9 G H1' H -1.855 5.327 -0.110 . . . 1.0 . . . . . . . . . . . . A . 9 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 267 . 1 1 9 G H2' H -4.425 6.374 0.019 . . . 1.0 . . . . . . . . . . . . A . 9 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 268 . 1 1 9 G H21 H -5.163 0.637 -0.863 . . . 1.0 . . . . . . . . . . . . A . 9 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 269 . 1 1 9 G H22 H -4.137 1.845 -1.708 . . . 1.0 . . . . . . . . . . . . A . 9 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 270 . 1 1 9 G H3' H -3.891 8.089 1.575 . . . 1.0 . . . . . . . . . . . . A . 9 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 271 . 1 1 9 G H4' H -1.352 8.524 -0.007 . . . 1.0 . . . . . . . . . . . . A . 9 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 272 . 1 1 9 G H5' H -0.364 9.233 2.113 . . . 1.0 . . . . . . . . . . . . A . 9 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 273 . 1 1 9 G H5'' H -1.765 10.202 1.730 . . . 1.0 . . . . . . . . . . . . A . 9 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 274 . 1 1 9 G H8 H -2.839 6.245 3.455 . . . 1.0 . . . . . . . . . . . . A . 9 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 275 . 1 1 9 G HO2' H -3.590 7.653 -1.893 . . . 1.0 . . . . . . . . . . . . A . 9 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 276 . 1 1 9 G HO3' H -4.805 9.129 -0.237 . . . 1.0 . . . . . . . . . . . . A . 9 G HO3' . . . . . . . . . c17401_2l8u 1 . 1 . 277 . 1 1 9 G N1 N -4.987 1.641 1.350 . . . 1.0 . . . . . . . . . . . . A . 9 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 278 . 1 1 9 G N2 N -4.545 1.445 -0.880 . . . 1.0 . . . . . . . . . . . . A . 9 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 279 . 1 1 9 G N3 N -3.697 3.260 0.171 . . . 1.0 . . . . . . . . . . . . A . 9 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 280 . 1 1 9 G N7 N -3.904 4.422 3.583 . . . 1.0 . . . . . . . . . . . . A . 9 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 281 . 1 1 9 G N9 N -3.000 5.107 1.633 . . . 1.0 . . . . . . . . . . . . A . 9 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 282 . 1 1 9 G O2' O -3.073 6.917 -1.494 . . . 1.0 . . . . . . . . . . . . A . 9 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 283 . 1 1 9 G O3' O -3.837 9.248 -0.131 . . . 1.0 . . . . . . . . . . . . A . 9 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 284 . 1 1 9 G O4' O -1.441 6.877 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 285 . 1 1 9 G O5' O -2.042 8.868 3.273 . . . 1.0 . . . . . . . . . . . . A . 9 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 286 . 1 1 9 G O6 O -5.537 1.694 3.507 . . . 1.0 . . . . . . . . . . . . A . 9 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 287 . 1 1 9 G OP1 O -1.736 11.159 4.284 . . . 1.0 . . . . . . . . . . . . A . 9 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 288 . 1 1 9 G OP2 O -2.619 9.217 5.673 . . . 1.0 . . . . . . . . . . . . A . 9 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 289 . 1 1 9 G P P -1.718 9.716 4.613 . . . 1.0 . . . . . . . . . . . . A . 9 G P . . . . . . . . . c17401_2l8u 1 . 1 . 290 . 2 1 1 C C1' C -7.010 -3.416 -1.307 . . . 1.0 . . . . . . . . . . . . B . 10 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 291 . 2 1 1 C C2 C -6.424 -1.558 0.224 . . . 1.0 . . . . . . . . . . . . B . 10 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 292 . 2 1 1 C C2' C -5.740 -3.942 -1.978 . . . 1.0 . . . . . . . . . . . . B . 10 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 293 . 2 1 1 C C3' C -5.865 -5.459 -1.788 . . . 1.0 . . . . . . . . . . . . B . 10 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 294 . 2 1 1 C C4 C -6.376 -1.798 2.508 . . . 1.0 . . . . . . . . . . . . B . 10 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 295 . 2 1 1 C C4' C -7.389 -5.624 -1.910 . . . 1.0 . . . . . . . . . . . . B . 10 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 296 . 2 1 1 C C5 C -6.671 -3.190 2.425 . . . 1.0 . . . . . . . . . . . . B . 10 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 297 . 2 1 1 C C5' C -7.947 -6.936 -1.316 . . . 1.0 . . . . . . . . . . . . B . 10 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 298 . 2 1 1 C C6 C -6.852 -3.720 1.186 . . . 1.0 . . . . . . . . . . . . B . 10 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 299 . 2 1 1 C H1' H -7.383 -2.584 -1.912 . . . 1.0 . . . . . . . . . . . . B . 10 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 300 . 2 1 1 C H2' H -4.839 -3.555 -1.505 . . . 1.0 . . . . . . . . . . . . B . 10 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 301 . 2 1 1 C H3' H -5.580 -5.736 -0.772 . . . 1.0 . . . . . . . . . . . . B . 10 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 302 . 2 1 1 C H4' H -7.644 -5.604 -2.968 . . . 1.0 . . . . . . . . . . . . B . 10 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 303 . 2 1 1 C H41 H -6.018 -0.227 3.664 . . . 1.0 . . . . . . . . . . . . B . 10 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 304 . 2 1 1 C H42 H -6.328 -1.757 4.519 . . . 1.0 . . . . . . . . . . . . B . 10 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 305 . 2 1 1 C H5 H -6.757 -3.812 3.303 . . . 1.0 . . . . . . . . . . . . B . 10 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 306 . 2 1 1 C H5' H -9.035 -6.895 -1.388 . . . 1.0 . . . . . . . . . . . . B . 10 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 307 . 2 1 1 C H5'' H -7.592 -7.783 -1.908 . . . 1.0 . . . . . . . . . . . . B . 10 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 308 . 2 1 1 C H6 H -7.105 -4.770 1.071 . . . 1.0 . . . . . . . . . . . . B . 10 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 309 . 2 1 1 C HO2' H -5.231 -4.183 -3.853 . . . 1.0 . . . . . . . . . . . . B . 10 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 310 . 2 1 1 C HO5' H -7.946 -7.970 0.371 . . . 1.0 . . . . . . . . . . . . B . 10 C HO5' . . . . . . . . . c17401_2l8u 1 . 1 . 311 . 2 1 1 C N1 N -6.744 -2.916 0.072 . . . 1.0 . . . . . . . . . . . . B . 10 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 312 . 2 1 1 C N3 N -6.251 -1.024 1.460 . . . 1.0 . . . . . . . . . . . . B . 10 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 313 . 2 1 1 C N4 N -6.220 -1.220 3.673 . . . 1.0 . . . . . . . . . . . . B . 10 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 314 . 2 1 1 C O2 O -6.271 -0.806 -0.733 . . . 1.0 . . . . . . . . . . . . B . 10 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 315 . 2 1 1 C O2' O -5.805 -3.570 -3.355 . . . 1.0 . . . . . . . . . . . . B . 10 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 316 . 2 1 1 C O3' O -5.114 -6.203 -2.747 . . . 1.0 . . . . . . . . . . . . B . 10 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 317 . 2 1 1 C O4' O -7.979 -4.471 -1.305 . . . 1.0 . . . . . . . . . . . . B . 10 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 318 . 2 1 1 C O5' O -7.557 -7.131 0.043 . . . 1.0 . . . . . . . . . . . . B . 10 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 319 . 2 1 2 C C1' C -1.663 -1.319 -2.370 . . . 1.0 . . . . . . . . . . . . B . 11 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 320 . 2 1 2 C C2 C -1.701 -0.270 -0.102 . . . 1.0 . . . . . . . . . . . . B . 11 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 321 . 2 1 2 C C2' C -0.234 -1.757 -2.684 . . . 1.0 . . . . . . . . . . . . B . 11 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 322 . 2 1 2 C C3' C -0.418 -3.245 -3.013 . . . 1.0 . . . . . . . . . . . . B . 11 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 323 . 2 1 2 C C4 C -2.722 -1.274 1.699 . . . 1.0 . . . . . . . . . . . . B . 11 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 324 . 2 1 2 C C4' C -1.740 -3.163 -3.778 . . . 1.0 . . . . . . . . . . . . B . 11 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 325 . 2 1 2 C C5 C -3.035 -2.435 0.940 . . . 1.0 . . . . . . . . . . . . B . 11 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 326 . 2 1 2 C C5' C -2.468 -4.512 -3.901 . . . 1.0 . . . . . . . . . . . . B . 11 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 327 . 2 1 2 C C6 C -2.619 -2.467 -0.349 . . . 1.0 . . . . . . . . . . . . B . 11 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 328 . 2 1 2 C H1' H -1.757 -0.277 -2.692 . . . 1.0 . . . . . . . . . . . . B . 11 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 329 . 2 1 2 C H2' H 0.422 -1.611 -1.831 . . . 1.0 . . . . . . . . . . . . B . 11 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 330 . 2 1 2 C H3' H -0.558 -3.822 -2.095 . . . 1.0 . . . . . . . . . . . . B . 11 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 331 . 2 1 2 C H4' H -1.519 -2.819 -4.783 . . . 1.0 . . . . . . . . . . . . B . 11 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 332 . 2 1 2 C H41 H -2.783 -0.371 3.488 . . . 1.0 . . . . . . . . . . . . B . 11 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 333 . 2 1 2 C H42 H -3.514 -1.977 3.392 . . . 1.0 . . . . . . . . . . . . B . 11 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 334 . 2 1 2 C H5 H -3.568 -3.277 1.356 . . . 1.0 . . . . . . . . . . . . B . 11 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 335 . 2 1 2 C H5' H -3.363 -4.359 -4.505 . . . 1.0 . . . . . . . . . . . . B . 11 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 336 . 2 1 2 C H5'' H -1.815 -5.205 -4.436 . . . 1.0 . . . . . . . . . . . . B . 11 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 337 . 2 1 2 C H6 H -2.806 -3.341 -0.952 . . . 1.0 . . . . . . . . . . . . B . 11 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 338 . 2 1 2 C HO2' H 0.919 -1.515 -4.254 . . . 1.0 . . . . . . . . . . . . B . 11 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 339 . 2 1 2 C N1 N -1.983 -1.384 -0.906 . . . 1.0 . . . . . . . . . . . . B . 11 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 340 . 2 1 2 C N3 N -2.079 -0.229 1.199 . . . 1.0 . . . . . . . . . . . . B . 11 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 341 . 2 1 2 C N4 N -3.044 -1.200 2.964 . . . 1.0 . . . . . . . . . . . . B . 11 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 342 . 2 1 2 C O2 O -1.082 0.709 -0.531 . . . 1.0 . . . . . . . . . . . . B . 11 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 343 . 2 1 2 C O2' O 0.219 -1.001 -3.808 . . . 1.0 . . . . . . . . . . . . B . 11 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 344 . 2 1 2 C O3' O 0.665 -3.769 -3.780 . . . 1.0 . . . . . . . . . . . . B . 11 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 345 . 2 1 2 C O4' O -2.527 -2.155 -3.138 . . . 1.0 . . . . . . . . . . . . B . 11 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 346 . 2 1 2 C O5' O -2.810 -5.087 -2.641 . . . 1.0 . . . . . . . . . . . . B . 11 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 347 . 2 1 2 C OP1 O -3.105 -7.362 -3.629 . . . 1.0 . . . . . . . . . . . . B . 11 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 348 . 2 1 2 C OP2 O -3.385 -6.986 -1.131 . . . 1.0 . . . . . . . . . . . . B . 11 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 349 . 2 1 2 C P P -3.562 -6.498 -2.517 . . . 1.0 . . . . . . . . . . . . B . 11 C P . . . . . . . . . c17401_2l8u 1 . 1 . 350 . 2 1 3 G C1' C 3.528 0.265 -0.555 . . . 1.0 . . . . . . . . . . . . B . 12 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 351 . 2 1 3 G C2 C 2.844 1.601 3.556 . . . 1.0 . . . . . . . . . . . . B . 12 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 352 . 2 1 3 G C2' C 4.986 -0.182 -0.427 . . . 1.0 . . . . . . . . . . . . B . 12 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 353 . 2 1 3 G C3' C 5.030 -1.425 -1.323 . . . 1.0 . . . . . . . . . . . . B . 12 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 354 . 2 1 3 G C4 C 2.529 0.244 1.786 . . . 1.0 . . . . . . . . . . . . B . 12 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 355 . 2 1 3 G C4' C 4.076 -0.976 -2.428 . . . 1.0 . . . . . . . . . . . . B . 12 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 356 . 2 1 3 G C5 C 1.594 -0.536 2.434 . . . 1.0 . . . . . . . . . . . . B . 12 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 357 . 2 1 3 G C5' C 3.494 -2.138 -3.231 . . . 1.0 . . . . . . . . . . . . B . 12 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 358 . 2 1 3 G C6 C 1.212 -0.167 3.771 . . . 1.0 . . . . . . . . . . . . B . 12 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 359 . 2 1 3 G C8 C 1.860 -1.393 0.507 . . . 1.0 . . . . . . . . . . . . B . 12 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 360 . 2 1 3 G H1 H 1.762 1.166 5.230 . . . 1.0 . . . . . . . . . . . . B . 12 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 361 . 2 1 3 G H1' H 3.497 1.352 -0.473 . . . 1.0 . . . . . . . . . . . . B . 12 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 362 . 2 1 3 G H2' H 5.244 -0.436 0.601 . . . 1.0 . . . . . . . . . . . . B . 12 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 363 . 2 1 3 G H21 H 3.281 2.772 5.138 . . . 1.0 . . . . . . . . . . . . B . 12 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 364 . 2 1 3 G H22 H 4.157 3.090 3.640 . . . 1.0 . . . . . . . . . . . . B . 12 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 365 . 2 1 3 G H3' H 4.612 -2.283 -0.797 . . . 1.0 . . . . . . . . . . . . B . 12 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 366 . 2 1 3 G H4' H 4.653 -0.350 -3.117 . . . 1.0 . . . . . . . . . . . . B . 12 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 367 . 2 1 3 G H5' H 2.897 -1.737 -4.047 . . . 1.0 . . . . . . . . . . . . B . 12 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 368 . 2 1 3 G H5'' H 4.321 -2.703 -3.658 . . . 1.0 . . . . . . . . . . . . B . 12 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 369 . 2 1 3 G H8 H 1.765 -2.030 -0.360 . . . 1.0 . . . . . . . . . . . . B . 12 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 370 . 2 1 3 G HO2' H 6.595 0.466 -1.347 . . . 1.0 . . . . . . . . . . . . B . 12 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 371 . 2 1 3 G N1 N 1.933 0.899 4.274 . . . 1.0 . . . . . . . . . . . . B . 12 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 372 . 2 1 3 G N2 N 3.462 2.578 4.161 . . . 1.0 . . . . . . . . . . . . B . 12 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 373 . 2 1 3 G N3 N 3.173 1.341 2.291 . . . 1.0 . . . . . . . . . . . . B . 12 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 374 . 2 1 3 G N7 N 1.173 -1.581 1.603 . . . 1.0 . . . . . . . . . . . . B . 12 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 375 . 2 1 3 G N9 N 2.685 -0.296 0.528 . . . 1.0 . . . . . . . . . . . . B . 12 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 376 . 2 1 3 G O2' O 5.808 0.868 -0.932 . . . 1.0 . . . . . . . . . . . . B . 12 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 377 . 2 1 3 G O3' O 6.339 -1.698 -1.815 . . . 1.0 . . . . . . . . . . . . B . 12 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 378 . 2 1 3 G O4' O 3.064 -0.171 -1.837 . . . 1.0 . . . . . . . . . . . . B . 12 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 379 . 2 1 3 G O5' O 2.703 -3.001 -2.424 . . . 1.0 . . . . . . . . . . . . B . 12 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 380 . 2 1 3 G O6 O 0.346 -0.660 4.491 . . . 1.0 . . . . . . . . . . . . B . 12 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 381 . 2 1 3 G OP1 O 2.882 -4.843 -4.122 . . . 1.0 . . . . . . . . . . . . B . 12 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 382 . 2 1 3 G OP2 O 1.592 -5.192 -1.947 . . . 1.0 . . . . . . . . . . . . B . 12 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 383 . 2 1 3 G P P 1.998 -4.300 -3.060 . . . 1.0 . . . . . . . . . . . . B . 12 G P . . . . . . . . . c17401_2l8u 1 . 1 . 384 . 2 1 4 C C1' C 6.625 -0.232 3.731 . . . 1.0 . . . . . . . . . . . . B . 13 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 385 . 2 1 4 C C2 C 4.669 -0.976 5.050 . . . 1.0 . . . . . . . . . . . . B . 13 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 386 . 2 1 4 C C2' C 7.873 -0.838 4.361 . . . 1.0 . . . . . . . . . . . . B . 13 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 387 . 2 1 4 C C3' C 8.675 -1.374 3.164 . . . 1.0 . . . . . . . . . . . . B . 13 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 388 . 2 1 4 C C4 C 3.413 -2.805 4.481 . . . 1.0 . . . . . . . . . . . . B . 13 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 389 . 2 1 4 C C4' C 8.257 -0.373 2.077 . . . 1.0 . . . . . . . . . . . . B . 13 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 390 . 2 1 4 C C5 C 4.191 -3.039 3.316 . . . 1.0 . . . . . . . . . . . . B . 13 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 391 . 2 1 4 C C5' C 8.345 -0.899 0.632 . . . 1.0 . . . . . . . . . . . . B . 13 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 392 . 2 1 4 C C6 C 5.195 -2.173 3.046 . . . 1.0 . . . . . . . . . . . . B . 13 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 393 . 2 1 4 C H1' H 6.413 0.700 4.260 . . . 1.0 . . . . . . . . . . . . B . 13 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 394 . 2 1 4 C H2' H 7.605 -1.643 5.041 . . . 1.0 . . . . . . . . . . . . B . 13 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 395 . 2 1 4 C H3' H 8.313 -2.373 2.917 . . . 1.0 . . . . . . . . . . . . B . 13 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 396 . 2 1 4 C H4' H 8.924 0.488 2.162 . . . 1.0 . . . . . . . . . . . . B . 13 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 397 . 2 1 4 C H41 H 1.837 -3.337 5.578 . . . 1.0 . . . . . . . . . . . . B . 13 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 398 . 2 1 4 C H42 H 2.143 -4.311 4.134 . . . 1.0 . . . . . . . . . . . . B . 13 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 399 . 2 1 4 C H5 H 4.002 -3.869 2.654 . . . 1.0 . . . . . . . . . . . . B . 13 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 400 . 2 1 4 C H5' H 8.041 -0.122 -0.067 . . . 1.0 . . . . . . . . . . . . B . 13 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 401 . 2 1 4 C H5'' H 9.389 -1.123 0.423 . . . 1.0 . . . . . . . . . . . . B . 13 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 402 . 2 1 4 C H6 H 5.796 -2.304 2.155 . . . 1.0 . . . . . . . . . . . . B . 13 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 403 . 2 1 4 C HO2' H 9.501 -0.039 5.124 . . . 1.0 . . . . . . . . . . . . B . 13 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 404 . 2 1 4 C N1 N 5.453 -1.134 3.902 . . . 1.0 . . . . . . . . . . . . B . 13 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 405 . 2 1 4 C N3 N 3.650 -1.818 5.312 . . . 1.0 . . . . . . . . . . . . B . 13 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 406 . 2 1 4 C N4 N 2.394 -3.568 4.763 . . . 1.0 . . . . . . . . . . . . B . 13 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 407 . 2 1 4 C O2 O 4.861 -0.072 5.864 . . . 1.0 . . . . . . . . . . . . B . 13 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 408 . 2 1 4 C O2' O 8.550 0.198 5.070 . . . 1.0 . . . . . . . . . . . . B . 13 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 409 . 2 1 4 C O3' O 10.063 -1.377 3.503 . . . 1.0 . . . . . . . . . . . . B . 13 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 410 . 2 1 4 C O4' O 6.926 0.045 2.369 . . . 1.0 . . . . . . . . . . . . B . 13 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 411 . 2 1 4 C O5' O 7.516 -2.038 0.435 . . . 1.0 . . . . . . . . . . . . B . 13 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 412 . 2 1 4 C OP1 O 8.636 -2.689 -1.743 . . . 1.0 . . . . . . . . . . . . B . 13 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 413 . 2 1 4 C OP2 O 6.624 -4.004 -0.874 . . . 1.0 . . . . . . . . . . . . B . 13 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 414 . 2 1 4 C P P 7.330 -2.706 -1.033 . . . 1.0 . . . . . . . . . . . . B . 13 C P . . . . . . . . . c17401_2l8u 1 . 1 . 415 . 2 1 5 U C1' C 8.529 -3.080 7.424 . . . 1.0 . . . . . . . . . . . . B . 14 U C1' . . . . . . . . . c17401_2l8u 1 . 1 . 416 . 2 1 5 U C2 C 6.585 -3.201 9.007 . . . 1.0 . . . . . . . . . . . . B . 14 U C2 . . . . . . . . . c17401_2l8u 1 . 1 . 417 . 2 1 5 U C2' C 9.551 -3.854 8.272 . . . 1.0 . . . . . . . . . . . . B . 14 U C2' . . . . . . . . . c17401_2l8u 1 . 1 . 418 . 2 1 5 U C3' C 10.550 -4.437 7.253 . . . 1.0 . . . . . . . . . . . . B . 14 U C3' . . . . . . . . . c17401_2l8u 1 . 1 . 419 . 2 1 5 U C4 C 4.521 -4.364 8.400 . . . 1.0 . . . . . . . . . . . . B . 14 U C4 . . . . . . . . . c17401_2l8u 1 . 1 . 420 . 2 1 5 U C4' C 10.253 -3.651 5.984 . . . 1.0 . . . . . . . . . . . . B . 14 U C4' . . . . . . . . . c17401_2l8u 1 . 1 . 421 . 2 1 5 U C5 C 5.062 -4.472 7.063 . . . 1.0 . . . . . . . . . . . . B . 14 U C5 . . . . . . . . . c17401_2l8u 1 . 1 . 422 . 2 1 5 U C5' C 10.585 -4.515 4.754 . . . 1.0 . . . . . . . . . . . . B . 14 U C5' . . . . . . . . . c17401_2l8u 1 . 1 . 423 . 2 1 5 U C6 C 6.317 -4.037 6.763 . . . 1.0 . . . . . . . . . . . . B . 14 U C6 . . . . . . . . . c17401_2l8u 1 . 1 . 424 . 2 1 5 U H1' H 8.655 -2.013 7.616 . . . 1.0 . . . . . . . . . . . . B . 14 U H1' . . . . . . . . . c17401_2l8u 1 . 1 . 425 . 2 1 5 U H2' H 9.035 -4.679 8.764 . . . 1.0 . . . . . . . . . . . . B . 14 U H2' . . . . . . . . . c17401_2l8u 1 . 1 . 426 . 2 1 5 U H3 H 4.975 -3.573 10.216 . . . 1.0 . . . . . . . . . . . . B . 14 U H3 . . . . . . . . . c17401_2l8u 1 . 1 . 427 . 2 1 5 U H3' H 10.305 -5.486 7.075 . . . 1.0 . . . . . . . . . . . . B . 14 U H3' . . . . . . . . . c17401_2l8u 1 . 1 . 428 . 2 1 5 U H4' H 10.835 -2.730 5.983 . . . 1.0 . . . . . . . . . . . . B . 14 U H4' . . . . . . . . . c17401_2l8u 1 . 1 . 429 . 2 1 5 U H5 H 4.453 -4.931 6.295 . . . 1.0 . . . . . . . . . . . . B . 14 U H5 . . . . . . . . . c17401_2l8u 1 . 1 . 430 . 2 1 5 U H5' H 11.636 -4.814 4.807 . . . 1.0 . . . . . . . . . . . . B . 14 U H5' . . . . . . . . . c17401_2l8u 1 . 1 . 431 . 2 1 5 U H5'' H 9.978 -5.436 4.806 . . . 1.0 . . . . . . . . . . . . B . 14 U H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 432 . 2 1 5 U H6 H 6.707 -4.146 5.757 . . . 1.0 . . . . . . . . . . . . B . 14 U H6 . . . . . . . . . c17401_2l8u 1 . 1 . 433 . 2 1 5 U HO2' H 10.911 -3.438 9.633 . . . 1.0 . . . . . . . . . . . . B . 14 U HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 434 . 2 1 5 U N1 N 7.115 -3.463 7.730 . . . 1.0 . . . . . . . . . . . . B . 14 U N1 . . . . . . . . . c17401_2l8u 1 . 1 . 435 . 2 1 5 U N3 N 5.336 -3.717 9.290 . . . 1.0 . . . . . . . . . . . . B . 14 U N3 . . . . . . . . . c17401_2l8u 1 . 1 . 436 . 2 1 5 U O2 O 7.165 -2.551 9.876 . . . 1.0 . . . . . . . . . . . . B . 14 U O2 . . . . . . . . . c17401_2l8u 1 . 1 . 437 . 2 1 5 U O2' O 10.159 -2.973 9.219 . . . 1.0 . . . . . . . . . . . . B . 14 U O2' . . . . . . . . . c17401_2l8u 1 . 1 . 438 . 2 1 5 U O3' O 11.903 -4.286 7.648 . . . 1.0 . . . . . . . . . . . . B . 14 U O3' . . . . . . . . . c17401_2l8u 1 . 1 . 439 . 2 1 5 U O4 O 3.419 -4.766 8.761 . . . 1.0 . . . . . . . . . . . . B . 14 U O4 . . . . . . . . . c17401_2l8u 1 . 1 . 440 . 2 1 5 U O4' O 8.872 -3.359 6.072 . . . 1.0 . . . . . . . . . . . . B . 14 U O4' . . . . . . . . . c17401_2l8u 1 . 1 . 441 . 2 1 5 U O5' O 10.335 -3.891 3.497 . . . 1.0 . . . . . . . . . . . . B . 14 U O5' . . . . . . . . . c17401_2l8u 1 . 1 . 442 . 2 1 5 U OP1 O 12.332 -2.384 3.745 . . . 1.0 . . . . . . . . . . . . B . 14 U OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 443 . 2 1 5 U OP2 O 11.087 -2.531 1.521 . . . 1.0 . . . . . . . . . . . . B . 14 U OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 444 . 2 1 5 U P P 11.056 -2.533 3.004 . . . 1.0 . . . . . . . . . . . . B . 14 U P . . . . . . . . . c17401_2l8u 1 . 1 . 445 . 2 1 6 G C1' C 7.967 -6.879 11.374 . . . 1.0 . . . . . . . . . . . . B . 15 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 446 . 2 1 6 G C2 C 3.875 -8.266 11.961 . . . 1.0 . . . . . . . . . . . . B . 15 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 447 . 2 1 6 G C2' C 8.419 -8.225 11.949 . . . 1.0 . . . . . . . . . . . . B . 15 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 448 . 2 1 6 G C3' C 9.655 -8.553 11.121 . . . 1.0 . . . . . . . . . . . . B . 15 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 449 . 2 1 6 G C4 C 5.594 -7.518 10.724 . . . 1.0 . . . . . . . . . . . . B . 15 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 450 . 2 1 6 G C4' C 10.225 -7.143 10.895 . . . 1.0 . . . . . . . . . . . . B . 15 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 451 . 2 1 6 G C5 C 4.944 -7.747 9.517 . . . 1.0 . . . . . . . . . . . . B . 15 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 452 . 2 1 6 G C5' C 11.096 -7.097 9.637 . . . 1.0 . . . . . . . . . . . . B . 15 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 453 . 2 1 6 G C6 C 3.595 -8.264 9.565 . . . 1.0 . . . . . . . . . . . . B . 15 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 454 . 2 1 6 G C8 C 6.930 -7.135 9.031 . . . 1.0 . . . . . . . . . . . . B . 15 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 455 . 2 1 6 G H1 H 2.245 -8.962 10.935 . . . 1.0 . . . . . . . . . . . . B . 15 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 456 . 2 1 6 G H1' H 7.566 -6.278 12.189 . . . 1.0 . . . . . . . . . . . . B . 15 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 457 . 2 1 6 G H2' H 7.654 -8.970 11.765 . . . 1.0 . . . . . . . . . . . . B . 15 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 458 . 2 1 6 G H21 H 2.516 -9.204 13.130 . . . 1.0 . . . . . . . . . . . . B . 15 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 459 . 2 1 6 G H22 H 3.927 -8.519 13.932 . . . 1.0 . . . . . . . . . . . . B . 15 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 460 . 2 1 6 G H3' H 9.350 -8.957 10.150 . . . 1.0 . . . . . . . . . . . . B . 15 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 461 . 2 1 6 G H4' H 10.813 -6.868 11.769 . . . 1.0 . . . . . . . . . . . . B . 15 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 462 . 2 1 6 G H5' H 11.773 -7.952 9.655 . . . 1.0 . . . . . . . . . . . . B . 15 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 463 . 2 1 6 G H5'' H 10.464 -7.186 8.753 . . . 1.0 . . . . . . . . . . . . B . 15 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 464 . 2 1 6 G H8 H 7.847 -6.900 8.507 . . . 1.0 . . . . . . . . . . . . B . 15 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 465 . 2 1 6 G HO2' H 9.351 -8.735 13.604 . . . 1.0 . . . . . . . . . . . . B . 15 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 466 . 2 1 6 G N1 N 3.152 -8.528 10.853 . . . 1.0 . . . . . . . . . . . . B . 15 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 467 . 2 1 6 G N2 N 3.375 -8.661 13.102 . . . 1.0 . . . . . . . . . . . . B . 15 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 468 . 2 1 6 G N3 N 5.097 -7.735 11.976 . . . 1.0 . . . . . . . . . . . . B . 15 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 469 . 2 1 6 G N7 N 5.815 -7.488 8.449 . . . 1.0 . . . . . . . . . . . . B . 15 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 470 . 2 1 6 G N9 N 6.872 -7.114 10.399 . . . 1.0 . . . . . . . . . . . . B . 15 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 471 . 2 1 6 G O2' O 8.700 -8.057 13.340 . . . 1.0 . . . . . . . . . . . . B . 15 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 472 . 2 1 6 G O3' O 10.544 -9.449 11.789 . . . 1.0 . . . . . . . . . . . . B . 15 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 473 . 2 1 6 G O4' O 9.105 -6.273 10.767 . . . 1.0 . . . . . . . . . . . . B . 15 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 474 . 2 1 6 G O5' O 11.847 -5.895 9.581 . . . 1.0 . . . . . . . . . . . . B . 15 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 475 . 2 1 6 G O6 O 2.827 -8.525 8.638 . . . 1.0 . . . . . . . . . . . . B . 15 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 476 . 2 1 6 G OP1 O 14.021 -4.969 8.768 . . . 1.0 . . . . . . . . . . . . B . 15 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 477 . 2 1 6 G OP2 O 12.712 -6.615 7.308 . . . 1.0 . . . . . . . . . . . . B . 15 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 478 . 2 1 6 G P P 12.721 -5.499 8.286 . . . 1.0 . . . . . . . . . . . . B . 15 G P . . . . . . . . . c17401_2l8u 1 . 1 . 479 . 2 1 7 C C1' C 5.952 -12.398 14.473 . . . 1.0 . . . . . . . . . . . . B . 16 C C1' . . . . . . . . . c17401_2l8u 1 . 1 . 480 . 2 1 7 C C2 C 4.315 -12.797 12.619 . . . 1.0 . . . . . . . . . . . . B . 16 C C2 . . . . . . . . . c17401_2l8u 1 . 1 . 481 . 2 1 7 C C2' C 6.497 -13.823 14.663 . . . 1.0 . . . . . . . . . . . . B . 16 C C2' . . . . . . . . . c17401_2l8u 1 . 1 . 482 . 2 1 7 C C3' C 8.021 -13.683 14.436 . . . 1.0 . . . . . . . . . . . . B . 16 C C3' . . . . . . . . . c17401_2l8u 1 . 1 . 483 . 2 1 7 C C4 C 4.527 -11.782 10.568 . . . 1.0 . . . . . . . . . . . . B . 16 C C4 . . . . . . . . . c17401_2l8u 1 . 1 . 484 . 2 1 7 C C4' C 8.250 -12.233 14.894 . . . 1.0 . . . . . . . . . . . . B . 16 C C4' . . . . . . . . . c17401_2l8u 1 . 1 . 485 . 2 1 7 C C5 C 5.625 -10.994 10.999 . . . 1.0 . . . . . . . . . . . . B . 16 C C5 . . . . . . . . . c17401_2l8u 1 . 1 . 486 . 2 1 7 C C5' C 9.389 -11.518 14.160 . . . 1.0 . . . . . . . . . . . . B . 16 C C5' . . . . . . . . . c17401_2l8u 1 . 1 . 487 . 2 1 7 C C6 C 6.044 -11.184 12.273 . . . 1.0 . . . . . . . . . . . . B . 16 C C6 . . . . . . . . . c17401_2l8u 1 . 1 . 488 . 2 1 7 C H1' H 5.110 -12.274 15.162 . . . 1.0 . . . . . . . . . . . . B . 16 C H1' . . . . . . . . . c17401_2l8u 1 . 1 . 489 . 2 1 7 C H2' H 6.077 -14.513 13.927 . . . 1.0 . . . . . . . . . . . . B . 16 C H2' . . . . . . . . . c17401_2l8u 1 . 1 . 490 . 2 1 7 C H3' H 8.268 -13.801 13.376 . . . 1.0 . . . . . . . . . . . . B . 16 C H3' . . . . . . . . . c17401_2l8u 1 . 1 . 491 . 2 1 7 C H4' H 8.518 -12.277 15.950 . . . 1.0 . . . . . . . . . . . . B . 16 C H4' . . . . . . . . . c17401_2l8u 1 . 1 . 492 . 2 1 7 C H41 H 3.230 -12.161 9.095 . . . 1.0 . . . . . . . . . . . . B . 16 C H41 . . . . . . . . . c17401_2l8u 1 . 1 . 493 . 2 1 7 C H42 H 4.503 -11.006 8.717 . . . 1.0 . . . . . . . . . . . . B . 16 C H42 . . . . . . . . . c17401_2l8u 1 . 1 . 494 . 2 1 7 C H5 H 6.108 -10.251 10.380 . . . 1.0 . . . . . . . . . . . . B . 16 C H5 . . . . . . . . . c17401_2l8u 1 . 1 . 495 . 2 1 7 C H5' H 9.530 -10.510 14.550 . . . 1.0 . . . . . . . . . . . . B . 16 C H5' . . . . . . . . . c17401_2l8u 1 . 1 . 496 . 2 1 7 C H5'' H 10.304 -12.088 14.342 . . . 1.0 . . . . . . . . . . . . B . 16 C H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 497 . 2 1 7 C H6 H 6.830 -10.560 12.672 . . . 1.0 . . . . . . . . . . . . B . 16 C H6 . . . . . . . . . c17401_2l8u 1 . 1 . 498 . 2 1 7 C HO2' H 6.619 -15.080 16.174 . . . 1.0 . . . . . . . . . . . . B . 16 C HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 499 . 2 1 7 C N1 N 5.457 -12.129 13.082 . . . 1.0 . . . . . . . . . . . . B . 16 C N1 . . . . . . . . . c17401_2l8u 1 . 1 . 500 . 2 1 7 C N3 N 3.882 -12.630 11.346 . . . 1.0 . . . . . . . . . . . . B . 16 C N3 . . . . . . . . . c17401_2l8u 1 . 1 . 501 . 2 1 7 C N4 N 4.056 -11.635 9.360 . . . 1.0 . . . . . . . . . . . . B . 16 C N4 . . . . . . . . . c17401_2l8u 1 . 1 . 502 . 2 1 7 C O2 O 3.672 -13.565 13.325 . . . 1.0 . . . . . . . . . . . . B . 16 C O2 . . . . . . . . . c17401_2l8u 1 . 1 . 503 . 2 1 7 C O2' O 6.173 -14.230 15.998 . . . 1.0 . . . . . . . . . . . . B . 16 C O2' . . . . . . . . . c17401_2l8u 1 . 1 . 504 . 2 1 7 C O3' O 8.800 -14.597 15.222 . . . 1.0 . . . . . . . . . . . . B . 16 C O3' . . . . . . . . . c17401_2l8u 1 . 1 . 505 . 2 1 7 C O4' O 7.009 -11.521 14.844 . . . 1.0 . . . . . . . . . . . . B . 16 C O4' . . . . . . . . . c17401_2l8u 1 . 1 . 506 . 2 1 7 C O5' O 9.188 -11.459 12.739 . . . 1.0 . . . . . . . . . . . . B . 16 C O5' . . . . . . . . . c17401_2l8u 1 . 1 . 507 . 2 1 7 C OP1 O 11.636 -11.629 12.193 . . . 1.0 . . . . . . . . . . . . B . 16 C OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 508 . 2 1 7 C OP2 O 9.909 -11.385 10.336 . . . 1.0 . . . . . . . . . . . . B . 16 C OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 509 . 2 1 7 C P P 10.361 -11.046 11.709 . . . 1.0 . . . . . . . . . . . . B . 16 C P . . . . . . . . . c17401_2l8u 1 . 1 . 510 . 2 1 8 G C1' C 3.661 -17.293 12.858 . . . 1.0 . . . . . . . . . . . . B . 17 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 511 . 2 1 8 G C2 C 0.921 -17.289 9.452 . . . 1.0 . . . . . . . . . . . . B . 17 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 512 . 2 1 8 G C2' C 3.751 -18.824 12.794 . . . 1.0 . . . . . . . . . . . . B . 17 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 513 . 2 1 8 G C3' C 5.270 -19.031 12.842 . . . 1.0 . . . . . . . . . . . . B . 17 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 514 . 2 1 8 G C4 C 2.845 -16.767 10.503 . . . 1.0 . . . . . . . . . . . . B . 17 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 515 . 2 1 8 G C4' C 5.667 -17.951 13.851 . . . 1.0 . . . . . . . . . . . . B . 17 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 516 . 2 1 8 G C5 C 3.360 -16.082 9.422 . . . 1.0 . . . . . . . . . . . . B . 17 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 517 . 2 1 8 G C5' C 7.117 -17.510 13.642 . . . 1.0 . . . . . . . . . . . . B . 17 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 518 . 2 1 8 G C6 C 2.564 -16.012 8.222 . . . 1.0 . . . . . . . . . . . . B . 17 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 519 . 2 1 8 G C8 C 4.806 -15.916 10.980 . . . 1.0 . . . . . . . . . . . . B . 17 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 520 . 2 1 8 G H1 H 0.718 -16.612 7.536 . . . 1.0 . . . . . . . . . . . . B . 17 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 521 . 2 1 8 G H1' H 2.697 -16.988 13.272 . . . 1.0 . . . . . . . . . . . . B . 17 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 522 . 2 1 8 G H2' H 3.328 -19.220 11.867 . . . 1.0 . . . . . . . . . . . . B . 17 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 523 . 2 1 8 G H21 H -0.819 -17.832 8.563 . . . 1.0 . . . . . . . . . . . . B . 17 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 524 . 2 1 8 G H22 H -0.562 -18.368 10.229 . . . 1.0 . . . . . . . . . . . . B . 17 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 525 . 2 1 8 G H3' H 5.693 -18.799 11.854 . . . 1.0 . . . . . . . . . . . . B . 17 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 526 . 2 1 8 G H4' H 5.561 -18.366 14.847 . . . 1.0 . . . . . . . . . . . . B . 17 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 527 . 2 1 8 G H5' H 7.744 -18.395 13.522 . . . 1.0 . . . . . . . . . . . . B . 17 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 528 . 2 1 8 G H5'' H 7.179 -16.913 12.731 . . . 1.0 . . . . . . . . . . . . B . 17 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 529 . 2 1 8 G H8 H 5.679 -15.628 11.562 . . . 1.0 . . . . . . . . . . . . B . 17 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 530 . 2 1 8 G HO2' H 3.474 -20.200 14.185 . . . 1.0 . . . . . . . . . . . . B . 17 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 531 . 2 1 8 G N1 N 1.337 -16.646 8.332 . . . 1.0 . . . . . . . . . . . . B . 17 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 532 . 2 1 8 G N2 N -0.255 -17.868 9.410 . . . 1.0 . . . . . . . . . . . . B . 17 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 533 . 2 1 8 G N3 N 1.638 -17.406 10.572 . . . 1.0 . . . . . . . . . . . . B . 17 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 534 . 2 1 8 G N7 N 4.618 -15.553 9.737 . . . 1.0 . . . . . . . . . . . . B . 17 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 535 . 2 1 8 G N9 N 3.783 -16.679 11.508 . . . 1.0 . . . . . . . . . . . . B . 17 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 536 . 2 1 8 G O2' O 3.074 -19.338 13.948 . . . 1.0 . . . . . . . . . . . . B . 17 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 537 . 2 1 8 G O3' O 5.649 -20.325 13.276 . . . 1.0 . . . . . . . . . . . . B . 17 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 538 . 2 1 8 G O4' O 4.740 -16.872 13.693 . . . 1.0 . . . . . . . . . . . . B . 17 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 539 . 2 1 8 G O5' O 7.586 -16.769 14.757 . . . 1.0 . . . . . . . . . . . . B . 17 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 540 . 2 1 8 G O6 O 2.821 -15.470 7.148 . . . 1.0 . . . . . . . . . . . . B . 17 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 541 . 2 1 8 G OP1 O 9.860 -16.763 15.809 . . . 1.0 . . . . . . . . . . . . B . 17 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 542 . 2 1 8 G OP2 O 9.593 -16.042 13.376 . . . 1.0 . . . . . . . . . . . . B . 17 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 543 . 2 1 8 G P P 9.053 -16.104 14.755 . . . 1.0 . . . . . . . . . . . . B . 17 G P . . . . . . . . . c17401_2l8u 1 . 1 . 544 . 2 1 9 G C1' C 1.489 -21.211 9.188 . . . 1.0 . . . . . . . . . . . . B . 18 G C1' . . . . . . . . . c17401_2l8u 1 . 1 . 545 . 2 1 9 G C2 C 0.675 -19.478 5.270 . . . 1.0 . . . . . . . . . . . . B . 18 G C2 . . . . . . . . . c17401_2l8u 1 . 1 . 546 . 2 1 9 G C2' C 1.699 -22.636 8.675 . . . 1.0 . . . . . . . . . . . . B . 18 G C2' . . . . . . . . . c17401_2l8u 1 . 1 . 547 . 2 1 9 G C3' C 2.798 -23.153 9.610 . . . 1.0 . . . . . . . . . . . . B . 18 G C3' . . . . . . . . . c17401_2l8u 1 . 1 . 548 . 2 1 9 G C4 C 1.910 -19.781 7.122 . . . 1.0 . . . . . . . . . . . . B . 18 G C4 . . . . . . . . . c17401_2l8u 1 . 1 . 549 . 2 1 9 G C4' C 2.414 -22.455 10.914 . . . 1.0 . . . . . . . . . . . . B . 18 G C4' . . . . . . . . . c17401_2l8u 1 . 1 . 550 . 2 1 9 G C5 C 2.957 -19.011 6.655 . . . 1.0 . . . . . . . . . . . . B . 18 G C5 . . . . . . . . . c17401_2l8u 1 . 1 . 551 . 2 1 9 G C5' C 3.583 -22.372 11.898 . . . 1.0 . . . . . . . . . . . . B . 18 G C5' . . . . . . . . . c17401_2l8u 1 . 1 . 552 . 2 1 9 G C6 C 2.835 -18.402 5.361 . . . 1.0 . . . . . . . . . . . . B . 18 G C6 . . . . . . . . . c17401_2l8u 1 . 1 . 553 . 2 1 9 G C8 C 3.534 -19.761 8.585 . . . 1.0 . . . . . . . . . . . . B . 18 G C8 . . . . . . . . . c17401_2l8u 1 . 1 . 554 . 2 1 9 G H1 H 1.485 -18.276 3.822 . . . 1.0 . . . . . . . . . . . . B . 18 G H1 . . . . . . . . . c17401_2l8u 1 . 1 . 555 . 2 1 9 G H1' H 0.430 -20.953 9.094 . . . 1.0 . . . . . . . . . . . . B . 18 G H1' . . . . . . . . . c17401_2l8u 1 . 1 . 556 . 2 1 9 G H2' H 2.051 -22.637 7.642 . . . 1.0 . . . . . . . . . . . . B . 18 G H2' . . . . . . . . . c17401_2l8u 1 . 1 . 557 . 2 1 9 G H21 H -0.439 -19.374 3.583 . . . 1.0 . . . . . . . . . . . . B . 18 G H21 . . . . . . . . . c17401_2l8u 1 . 1 . 558 . 2 1 9 G H22 H -1.104 -20.316 4.938 . . . 1.0 . . . . . . . . . . . . B . 18 G H22 . . . . . . . . . c17401_2l8u 1 . 1 . 559 . 2 1 9 G H3' H 3.766 -22.782 9.260 . . . 1.0 . . . . . . . . . . . . B . 18 G H3' . . . . . . . . . c17401_2l8u 1 . 1 . 560 . 2 1 9 G H4' H 1.605 -23.018 11.381 . . . 1.0 . . . . . . . . . . . . B . 18 G H4' . . . . . . . . . c17401_2l8u 1 . 1 . 561 . 2 1 9 G H5' H 3.240 -21.873 12.805 . . . 1.0 . . . . . . . . . . . . B . 18 G H5' . . . . . . . . . c17401_2l8u 1 . 1 . 562 . 2 1 9 G H5'' H 3.876 -23.390 12.167 . . . 1.0 . . . . . . . . . . . . B . 18 G H5'' . . . . . . . . . c17401_2l8u 1 . 1 . 563 . 2 1 9 G H8 H 4.087 -19.987 9.488 . . . 1.0 . . . . . . . . . . . . B . 18 G H8 . . . . . . . . . c17401_2l8u 1 . 1 . 564 . 2 1 9 G HO2' H 0.685 -24.324 8.697 . . . 1.0 . . . . . . . . . . . . B . 18 G HO2' . . . . . . . . . c17401_2l8u 1 . 1 . 565 . 2 1 9 G HO3' H 3.157 -24.953 8.870 . . . 1.0 . . . . . . . . . . . . B . 18 G HO3' . . . . . . . . . c17401_2l8u 1 . 1 . 566 . 2 1 9 G N1 N 1.640 -18.694 4.727 . . . 1.0 . . . . . . . . . . . . B . 18 G N1 . . . . . . . . . c17401_2l8u 1 . 1 . 567 . 2 1 9 G N2 N -0.397 -19.716 4.541 . . . 1.0 . . . . . . . . . . . . B . 18 G N2 . . . . . . . . . c17401_2l8u 1 . 1 . 568 . 2 1 9 G N3 N 0.728 -20.042 6.468 . . . 1.0 . . . . . . . . . . . . B . 18 G N3 . . . . . . . . . c17401_2l8u 1 . 1 . 569 . 2 1 9 G N7 N 3.994 -19.006 7.617 . . . 1.0 . . . . . . . . . . . . B . 18 G N7 . . . . . . . . . c17401_2l8u 1 . 1 . 570 . 2 1 9 G N9 N 2.277 -20.259 8.355 . . . 1.0 . . . . . . . . . . . . B . 18 G N9 . . . . . . . . . c17401_2l8u 1 . 1 . 571 . 2 1 9 G O2' O 0.479 -23.364 8.807 . . . 1.0 . . . . . . . . . . . . B . 18 G O2' . . . . . . . . . c17401_2l8u 1 . 1 . 572 . 2 1 9 G O3' O 2.811 -24.580 9.710 . . . 1.0 . . . . . . . . . . . . B . 18 G O3' . . . . . . . . . c17401_2l8u 1 . 1 . 573 . 2 1 9 G O4' O 1.908 -21.173 10.553 . . . 1.0 . . . . . . . . . . . . B . 18 G O4' . . . . . . . . . c17401_2l8u 1 . 1 . 574 . 2 1 9 G O5' O 4.698 -21.680 11.361 . . . 1.0 . . . . . . . . . . . . B . 18 G O5' . . . . . . . . . c17401_2l8u 1 . 1 . 575 . 2 1 9 G O6 O 3.629 -17.692 4.728 . . . 1.0 . . . . . . . . . . . . B . 18 G O6 . . . . . . . . . c17401_2l8u 1 . 1 . 576 . 2 1 9 G OP1 O 6.351 -22.706 12.976 . . . 1.0 . . . . . . . . . . . . B . 18 G OP1 . . . . . . . . . c17401_2l8u 1 . 1 . 577 . 2 1 9 G OP2 O 7.063 -20.902 11.311 . . . 1.0 . . . . . . . . . . . . B . 18 G OP2 . . . . . . . . . c17401_2l8u 1 . 1 . 578 . 2 1 9 G P P 6.037 -21.467 12.220 . . . 1.0 . . . . . . . . . . . . B . 18 G P . . . . . . . . . c17401_2l8u 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c17401_2l8u _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2l8u.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17401_2l8u 1 1 2l8u.mr . . PDB 2 coordinate initial 'Not applicable' 0 c17401_2l8u 1 1 2l8u.mr . . AMBER 3 distance NOE simple 187 c17401_2l8u 1 1 2l8u.mr . . AMBER 4 distance 'hydrogen bond' simple 43 c17401_2l8u 1 1 2l8u.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17401_2l8u 1 stop_ save_ save_AMBER_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c17401_2l8u _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c17401_2l8u 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 1 C H6 . . A . 1 C H5 . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H5 . . c17401_2l8u 1 2 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 1 C H6 . . A . 1 C H5 . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H5 . . c17401_2l8u 1 3 1 . . 1 1 1 1 C H2' H . . . 1 1 1 1 C H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 1 C H2' . . A . 1 C H1' . 2l8u_ambr001 . 1 RC5 H2' . . . 2l8u_ambr001 . 1 RC5 H1' . . c17401_2l8u 1 4 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 1 C H6 . . A . 1 C H2' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H2' . . c17401_2l8u 1 5 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 1 C H6 . . A . 1 C H3' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H3' . . c17401_2l8u 1 6 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H4' H . . . . . 5.50 4.50 6.00 . . . . . A . 1 C H6 . . A . 1 C H4' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H4' . . c17401_2l8u 1 7 1 . . 1 1 1 1 C H1' H . . . 1 1 1 1 C H3' H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H1' . . A . 1 C H3' . 2l8u_ambr001 . 1 RC5 H1' . . . 2l8u_ambr001 . 1 RC5 H3' . . c17401_2l8u 1 8 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H6 . . A . 1 C H1' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H1' . . c17401_2l8u 1 9 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H5' H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H6 . . A . 1 C H5' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H5' . . c17401_2l8u 1 10 1 . . 1 1 1 1 C H6 H . . . 1 1 1 1 C H5'' H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H6 . . A . 1 C H5'' . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 1 RC5 H5'' . . c17401_2l8u 1 11 1 . . 1 1 1 1 C H2' H . . . 1 1 2 2 C H6 H . . . . . 2.60 2.00 3.10 . . . . . A . 1 C H2' . . A . 2 C H6 . 2l8u_ambr001 . 1 RC5 H2' . . . 2l8u_ambr001 . 2 RC H6 . . c17401_2l8u 1 12 1 . . 1 1 1 1 C H2' H . . . 1 1 2 2 C H5 H . . . . . 3.75 2.60 4.25 . . . . . A . 1 C H2' . . A . 2 C H5 . 2l8u_ambr001 . 1 RC5 H2' . . . 2l8u_ambr001 . 2 RC H5 . . c17401_2l8u 1 13 1 . . 1 1 1 1 C H6 H . . . 1 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H6 . . A . 2 C H6 . 2l8u_ambr001 . 1 RC5 H6 . . . 2l8u_ambr001 . 2 RC H6 . . c17401_2l8u 1 14 1 . . 1 1 1 1 C H5 H . . . 1 1 2 2 C H5 H . . . . . 3.75 2.60 4.25 . . . . . A . 1 C H5 . . A . 2 C H5 . 2l8u_ambr001 . 1 RC5 H5 . . . 2l8u_ambr001 . 2 RC H5 . . c17401_2l8u 1 15 1 . . 1 1 1 1 C H1' H . . . 1 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H1' . . A . 2 C H6 . 2l8u_ambr001 . 1 RC5 H1' . . . 2l8u_ambr001 . 2 RC H6 . . c17401_2l8u 1 16 1 . . 1 1 1 1 C H3' H . . . 1 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H3' . . A . 2 C H6 . 2l8u_ambr001 . 1 RC5 H3' . . . 2l8u_ambr001 . 2 RC H6 . . c17401_2l8u 1 17 1 . . 1 1 1 1 C H1' H . . . 1 1 2 2 C H5 H . . . . . 5.00 3.75 5.50 . . . . . A . 1 C H1' . . A . 2 C H5 . 2l8u_ambr001 . 1 RC5 H1' . . . 2l8u_ambr001 . 2 RC H5 . . c17401_2l8u 1 18 1 . . 1 1 2 2 C H6 H . . . 1 1 2 2 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 2 C H6 . . A . 2 C H5 . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 2 RC H5 . . c17401_2l8u 1 19 1 . . 1 1 2 2 C H6 H . . . 1 1 2 2 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 2 C H6 . . A . 2 C H5 . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 2 RC H5 . . c17401_2l8u 1 20 1 . . 1 1 2 2 C H2' H . . . 1 1 2 2 C H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 2 C H2' . . A . 2 C H1' . 2l8u_ambr001 . 2 RC H2' . . . 2l8u_ambr001 . 2 RC H1' . . c17401_2l8u 1 21 1 . . 1 1 2 2 C H6 H . . . 1 1 2 2 C H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 2 C H6 . . A . 2 C H2' . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 2 RC H2' . . c17401_2l8u 1 22 1 . . 1 1 2 2 C H6 H . . . 1 1 2 2 C H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 2 C H6 . . A . 2 C H3' . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 2 RC H3' . . c17401_2l8u 1 23 1 . . 1 1 2 2 C H6 H . . . 1 1 2 2 C H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 2 C H6 . . A . 2 C H1' . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 2 RC H1' . . c17401_2l8u 1 24 1 . . 1 1 2 2 C H1' H . . . 1 1 3 3 G H8 H . . . . . 4.50 2.60 5.00 . . . . . A . 2 C H1' . . A . 3 G H8 . 2l8u_ambr001 . 2 RC H1' . . . 2l8u_ambr001 . 3 RG H8 . . c17401_2l8u 1 25 1 . . 1 1 2 2 C H2' H . . . 1 1 3 3 G H8 H . . . . . 2.60 2.00 3.10 . . . . . A . 2 C H2' . . A . 3 G H8 . 2l8u_ambr001 . 2 RC H2' . . . 2l8u_ambr001 . 3 RG H8 . . c17401_2l8u 1 26 1 . . 1 1 2 2 C H6 H . . . 1 1 3 3 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 2 C H6 . . A . 3 G H8 . 2l8u_ambr001 . 2 RC H6 . . . 2l8u_ambr001 . 3 RG H8 . . c17401_2l8u 1 27 1 . . 1 1 3 3 G H2' H . . . 1 1 3 3 G H1' H . . . . . 5.00 2.60 5.50 . . . . . A . 3 G H2' . . A . 3 G H1' . 2l8u_ambr001 . 3 RG H2' . . . 2l8u_ambr001 . 3 RG H1' . . c17401_2l8u 1 28 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H2' H . . . . . 4.50 2.60 5.00 . . . . . A . 3 G H8 . . A . 3 G H2' . 2l8u_ambr001 . 3 RG H8 . . . 2l8u_ambr001 . 3 RG H2' . . c17401_2l8u 1 29 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 3 G H8 . . A . 3 G H3' . 2l8u_ambr001 . 3 RG H8 . . . 2l8u_ambr001 . 3 RG H3' . . c17401_2l8u 1 30 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 3 G H8 . . A . 3 G H1' . 2l8u_ambr001 . 3 RG H8 . . . 2l8u_ambr001 . 3 RG H1' . . c17401_2l8u 1 31 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H5' H . . . . . 5.00 3.75 5.50 . . . . . A . 3 G H8 . . A . 3 G H5' . 2l8u_ambr001 . 3 RG H8 . . . 2l8u_ambr001 . 3 RG H5' . . c17401_2l8u 1 32 1 . . 1 1 3 3 G H1' H . . . 1 1 4 4 C H6 H . . . . . 5.50 3.75 6.00 . . . . . A . 3 G H1' . . A . 4 C H6 . 2l8u_ambr001 . 3 RG H1' . . . 2l8u_ambr001 . 4 RC H6 . . c17401_2l8u 1 33 1 . . 1 1 3 3 G H2' H . . . 1 1 4 4 C H6 H . . . . . 2.60 2.00 3.10 . . . . . A . 3 G H2' . . A . 4 C H6 . 2l8u_ambr001 . 3 RG H2' . . . 2l8u_ambr001 . 4 RC H6 . . c17401_2l8u 1 34 1 . . 1 1 4 4 C H6 H . . . 1 1 4 4 C H3' H . . . . . 5.00 2.60 5.50 . . . . . A . 4 C H6 . . A . 4 C H3' . 2l8u_ambr001 . 4 RC H6 . . . 2l8u_ambr001 . 4 RC H3' . . c17401_2l8u 1 35 1 . . 1 1 4 4 C H6 H . . . 1 1 4 4 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 4 C H6 . . A . 4 C H5 . 2l8u_ambr001 . 4 RC H6 . . . 2l8u_ambr001 . 4 RC H5 . . c17401_2l8u 1 36 1 . . 1 1 4 4 C H6 H . . . 1 1 4 4 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 4 C H6 . . A . 4 C H5 . 2l8u_ambr001 . 4 RC H6 . . . 2l8u_ambr001 . 4 RC H5 . . c17401_2l8u 1 37 1 . . 1 1 4 4 C H2' H . . . 1 1 4 4 C H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 4 C H2' . . A . 4 C H1' . 2l8u_ambr001 . 4 RC H2' . . . 2l8u_ambr001 . 4 RC H1' . . c17401_2l8u 1 38 1 . . 1 1 4 4 C H6 H . . . 1 1 4 4 C H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 4 C H6 . . A . 4 C H2' . 2l8u_ambr001 . 4 RC H6 . . . 2l8u_ambr001 . 4 RC H2' . . c17401_2l8u 1 39 1 . . 1 1 4 4 C H6 H . . . 1 1 4 4 C H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 4 C H6 . . A . 4 C H1' . 2l8u_ambr001 . 4 RC H6 . . . 2l8u_ambr001 . 4 RC H1' . . c17401_2l8u 1 40 1 . . 1 1 4 4 C H5 H . . . 1 1 4 4 C H2' H . . . . . 5.00 3.75 5.50 . . . . . A . 4 C H5 . . A . 4 C H2' . 2l8u_ambr001 . 4 RC H5 . . . 2l8u_ambr001 . 4 RC H2' . . c17401_2l8u 1 41 1 . . 1 1 4 4 C H2' H . . . 1 1 5 5 U H6 H . . . . . 5.00 2.60 5.50 . . . . . A . 4 C H2' . . A . 5 U H6 . 2l8u_ambr001 . 4 RC H2' . . . 2l8u_ambr001 . 5 RU H6 . . c17401_2l8u 1 42 1 . . 1 1 4 4 C H2' H . . . 1 1 5 5 U H5 H . . . . . 5.00 2.60 5.50 . . . . . A . 4 C H2' . . A . 5 U H5 . 2l8u_ambr001 . 4 RC H2' . . . 2l8u_ambr001 . 5 RU H5 . . c17401_2l8u 1 43 1 . . 1 1 4 4 C H5 H . . . 1 1 5 5 U H5 H . . . . . 3.75 2.60 4.25 . . . . . A . 4 C H5 . . A . 5 U H5 . 2l8u_ambr001 . 4 RC H5 . . . 2l8u_ambr001 . 5 RU H5 . . c17401_2l8u 1 44 1 . . 1 1 4 4 C H1' H . . . 1 1 5 5 U H6 H . . . . . 5.00 3.75 5.50 . . . . . A . 4 C H1' . . A . 5 U H6 . 2l8u_ambr001 . 4 RC H1' . . . 2l8u_ambr001 . 5 RU H6 . . c17401_2l8u 1 45 1 . . 1 1 4 4 C H3' H . . . 1 1 5 5 U H6 H . . . . . 5.00 2.60 5.50 . . . . . A . 4 C H3' . . A . 5 U H6 . 2l8u_ambr001 . 4 RC H3' . . . 2l8u_ambr001 . 5 RU H6 . . c17401_2l8u 1 46 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H1' H . . . . . 4.50 2.60 5.00 . . . . . A . 5 U H6 . . A . 5 U H1' . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 5 RU H1' . . c17401_2l8u 1 47 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 5 U H6 . . A . 5 U H5 . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 5 RU H5 . . c17401_2l8u 1 48 1 . . 1 1 5 5 U H1' H . . . 1 1 5 5 U H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 5 U H1' . . A . 5 U H2' . 2l8u_ambr001 . 5 RU H1' . . . 2l8u_ambr001 . 5 RU H2' . . c17401_2l8u 1 49 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 5 U H6 . . A . 5 U H2' . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 5 RU H2' . . c17401_2l8u 1 50 1 . . 1 1 5 5 U H2' H . . . 1 1 5 5 U H3' H . . . . . 2.60 2.00 3.10 . . . . . A . 5 U H2' . . A . 5 U H3' . 2l8u_ambr001 . 5 RU H2' . . . 2l8u_ambr001 . 5 RU H3' . . c17401_2l8u 1 51 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H5' H . . . . . 5.00 3.75 5.50 . . . . . A . 5 U H6 . . A . 5 U H5' . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 5 RU H5' . . c17401_2l8u 1 52 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H3' H . . . . . 5.00 3.75 5.50 . . . . . A . 5 U H6 . . A . 5 U H3' . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 5 RU H3' . . c17401_2l8u 1 53 1 . . 1 1 5 5 U H3' H . . . 1 1 6 6 G H8 H . . . . . 5.00 2.60 5.50 . . . . . A . 5 U H3' . . A . 6 G H8 . 2l8u_ambr001 . 5 RU H3' . . . 2l8u_ambr001 . 6 RG H8 . . c17401_2l8u 1 54 1 . . 1 1 5 5 U H2' H . . . 1 1 6 6 G H8 H . . . . . 2.60 2.00 3.10 . . . . . A . 5 U H2' . . A . 6 G H8 . 2l8u_ambr001 . 5 RU H2' . . . 2l8u_ambr001 . 6 RG H8 . . c17401_2l8u 1 55 1 . . 1 1 5 5 U H1' H . . . 1 1 6 6 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 5 U H1' . . A . 6 G H8 . 2l8u_ambr001 . 5 RU H1' . . . 2l8u_ambr001 . 6 RG H8 . . c17401_2l8u 1 56 1 . . 1 1 5 5 U H6 H . . . 1 1 6 6 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 5 U H6 . . A . 6 G H8 . 2l8u_ambr001 . 5 RU H6 . . . 2l8u_ambr001 . 6 RG H8 . . c17401_2l8u 1 57 1 . . 1 1 5 5 U H2' H . . . 1 1 6 6 G H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 5 U H2' . . A . 6 G H1' . 2l8u_ambr001 . 5 RU H2' . . . 2l8u_ambr001 . 6 RG H1' . . c17401_2l8u 1 58 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 6 G H1' . . A . 6 G H2' . 2l8u_ambr001 . 6 RG H1' . . . 2l8u_ambr001 . 6 RG H2' . . c17401_2l8u 1 59 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 6 G H8 . . A . 6 G H2' . 2l8u_ambr001 . 6 RG H8 . . . 2l8u_ambr001 . 6 RG H2' . . c17401_2l8u 1 60 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 6 G H8 . . A . 6 G H3' . 2l8u_ambr001 . 6 RG H8 . . . 2l8u_ambr001 . 6 RG H3' . . c17401_2l8u 1 61 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 6 G H8 . . A . 6 G H1' . 2l8u_ambr001 . 6 RG H8 . . . 2l8u_ambr001 . 6 RG H1' . . c17401_2l8u 1 62 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H5' H . . . . . 5.00 3.75 5.50 . . . . . A . 6 G H8 . . A . 6 G H5' . 2l8u_ambr001 . 6 RG H8 . . . 2l8u_ambr001 . 6 RG H5' . . c17401_2l8u 1 63 1 . . 1 1 6 6 G H1' H . . . 1 1 7 7 C H6 H . . . . . 5.00 3.75 5.50 . . . . . A . 6 G H1' . . A . 7 C H6 . 2l8u_ambr001 . 6 RG H1' . . . 2l8u_ambr001 . 7 RC H6 . . c17401_2l8u 1 64 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 C H5 H . . . . . 4.50 2.60 5.00 . . . . . A . 6 G H2' . . A . 7 C H5 . 2l8u_ambr001 . 6 RG H2' . . . 2l8u_ambr001 . 7 RC H5 . . c17401_2l8u 1 65 1 . . 1 1 6 6 G H1' H . . . 1 1 7 7 C H5 H . . . . . 4.50 2.60 5.00 . . . . . A . 6 G H1' . . A . 7 C H5 . 2l8u_ambr001 . 6 RG H1' . . . 2l8u_ambr001 . 7 RC H5 . . c17401_2l8u 1 66 1 . . 1 1 6 6 G H8 H . . . 1 1 7 7 C H5 H . . . . . 5.50 3.75 6.00 . . . . . A . 6 G H8 . . A . 7 C H5 . 2l8u_ambr001 . 6 RG H8 . . . 2l8u_ambr001 . 7 RC H5 . . c17401_2l8u 1 67 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 C H6 H . . . . . 2.60 2.00 3.10 . . . . . A . 6 G H2' . . A . 7 C H6 . 2l8u_ambr001 . 6 RG H2' . . . 2l8u_ambr001 . 7 RC H6 . . c17401_2l8u 1 68 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H3' H . . . . . 5.00 3.75 5.50 . . . . . A . 7 C H6 . . A . 7 C H3' . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 7 RC H3' . . c17401_2l8u 1 69 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H5 H . . . . . 2.60 2.40 3.10 . . . . . A . 7 C H6 . . A . 7 C H5 . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 7 RC H5 . . c17401_2l8u 1 70 1 . . 1 1 7 7 C H2' H . . . 1 1 7 7 C H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 7 C H2' . . A . 7 C H1' . 2l8u_ambr001 . 7 RC H2' . . . 2l8u_ambr001 . 7 RC H1' . . c17401_2l8u 1 71 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H2' H . . . . . 5.00 3.75 5.50 . . . . . A . 7 C H6 . . A . 7 C H2' . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 7 RC H2' . . c17401_2l8u 1 72 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H1' H . . . . . 5.00 3.50 5.50 . . . . . A . 7 C H6 . . A . 7 C H1' . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 7 RC H1' . . c17401_2l8u 1 73 1 . . 1 1 7 7 C H2' H . . . 1 1 8 8 G H8 H . . . . . 2.60 2.00 3.10 . . . . . A . 7 C H2' . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H2' . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 74 1 . . 1 1 7 7 C H1' H . . . 1 1 8 8 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 7 C H1' . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H1' . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 75 1 . . 1 1 7 7 C H5 H . . . 1 1 8 8 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 7 C H5 . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H5 . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 76 1 . . 1 1 7 7 C H6 H . . . 1 1 8 8 G H8 H . . . . . 5.50 3.75 6.00 . . . . . A . 7 C H6 . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 77 1 . . 1 1 7 7 C H3' H . . . 1 1 8 8 G H8 H . . . . . 3.75 2.60 4.25 . . . . . A . 7 C H3' . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H3' . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 78 1 . . 1 1 7 7 C H6 H . . . 1 1 8 8 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 7 C H6 . . A . 8 G H8 . 2l8u_ambr001 . 7 RC H6 . . . 2l8u_ambr001 . 8 RG H8 . . c17401_2l8u 1 79 1 . . 1 1 8 8 G H2' H . . . 1 1 8 8 G H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 8 G H2' . . A . 8 G H1' . 2l8u_ambr001 . 8 RG H2' . . . 2l8u_ambr001 . 8 RG H1' . . c17401_2l8u 1 80 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H1' H . . . . . 3.75 2.60 4.25 . . . . . A . 8 G H8 . . A . 8 G H1' . 2l8u_ambr001 . 8 RG H8 . . . 2l8u_ambr001 . 8 RG H1' . . c17401_2l8u 1 81 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 8 G H8 . . A . 8 G H3' . 2l8u_ambr001 . 8 RG H8 . . . 2l8u_ambr001 . 8 RG H3' . . c17401_2l8u 1 82 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H5' H . . . . . 5.00 3.75 5.50 . . . . . A . 8 G H8 . . A . 8 G H5' . 2l8u_ambr001 . 8 RG H8 . . . 2l8u_ambr001 . 8 RG H5' . . c17401_2l8u 1 83 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H2' H . . . . . 5.00 3.75 5.50 . . . . . A . 8 G H8 . . A . 8 G H2' . 2l8u_ambr001 . 8 RG H8 . . . 2l8u_ambr001 . 8 RG H2' . . c17401_2l8u 1 84 1 . . 1 1 8 8 G H3' H . . . 1 1 9 9 G H8 H . . . . . 3.75 2.60 4.25 . . . . . A . 8 G H3' . . A . 9 G H8 . 2l8u_ambr001 . 8 RG H3' . . . 2l8u_ambr001 . 9 RG3 H8 . . c17401_2l8u 1 85 1 . . 1 1 8 8 G H2' H . . . 1 1 9 9 G H8 H . . . . . 2.60 2.00 3.10 . . . . . A . 8 G H2' . . A . 9 G H8 . 2l8u_ambr001 . 8 RG H2' . . . 2l8u_ambr001 . 9 RG3 H8 . . c17401_2l8u 1 86 1 . . 1 1 8 8 G H1' H . . . 1 1 9 9 G H8 H . . . . . 5.00 3.75 5.50 . . . . . A . 8 G H1' . . A . 9 G H8 . 2l8u_ambr001 . 8 RG H1' . . . 2l8u_ambr001 . 9 RG3 H8 . . c17401_2l8u 1 87 1 . . 1 1 8 8 G H8 H . . . 1 1 9 9 G H8 H . . . . . 5.50 3.75 6.00 . . . . . A . 8 G H8 . . A . 9 G H8 . 2l8u_ambr001 . 8 RG H8 . . . 2l8u_ambr001 . 9 RG3 H8 . . c17401_2l8u 1 88 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H2' H . . . . . 3.75 2.60 4.25 . . . . . A . 9 G H8 . . A . 9 G H2' . 2l8u_ambr001 . 9 RG3 H8 . . . 2l8u_ambr001 . 9 RG3 H2' . . c17401_2l8u 1 89 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H3' H . . . . . 3.75 2.60 4.25 . . . . . A . 9 G H8 . . A . 9 G H3' . 2l8u_ambr001 . 9 RG3 H8 . . . 2l8u_ambr001 . 9 RG3 H3' . . c17401_2l8u 1 90 1 . . 1 1 9 9 G H2' H . . . 1 1 9 9 G H3' H . . . . . 2.60 2.00 3.10 . . . . . A . 9 G H2' . . A . 9 G H3' . 2l8u_ambr001 . 9 RG3 H2' . . . 2l8u_ambr001 . 9 RG3 H3' . . c17401_2l8u 1 91 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H1' H . . . . . 5.00 3.75 5.50 . . . . . A . 9 G H8 . . A . 9 G H1' . 2l8u_ambr001 . 9 RG3 H8 . . . 2l8u_ambr001 . 9 RG3 H1' . . c17401_2l8u 1 92 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 10 C H6 . . B . 10 C H5 . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H5 . . c17401_2l8u 1 93 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 10 C H6 . . B . 10 C H5 . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H5 . . c17401_2l8u 1 94 1 . . 2 1 1 1 C H2' H . . . 2 1 1 1 C H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H2' . . B . 10 C H1' . 2l8u_ambr002 . 1 RC5 H2' . . . 2l8u_ambr002 . 1 RC5 H1' . . c17401_2l8u 1 95 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H5' H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H6 . . B . 10 C H5' . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H5' . . c17401_2l8u 1 96 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H6 . . B . 10 C H2' . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H2' . . c17401_2l8u 1 97 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H6 . . B . 10 C H3' . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H3' . . c17401_2l8u 1 98 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H6 . . B . 10 C H1' . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H1' . . c17401_2l8u 1 99 1 . . 2 1 1 1 C H6 H . . . 2 1 1 1 C H5'' H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H6 . . B . 10 C H5'' . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 1 RC5 H5'' . . c17401_2l8u 1 100 1 . . 2 1 1 1 C H2' H . . . 2 1 2 2 C H6 H . . . . . 2.60 2.00 3.10 . . . . . B . 10 C H2' . . B . 11 C H6 . 2l8u_ambr002 . 1 RC5 H2' . . . 2l8u_ambr002 . 2 RC H6 . . c17401_2l8u 1 101 1 . . 2 1 1 1 C H2' H . . . 2 1 2 2 C H5 H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H2' . . B . 11 C H5 . 2l8u_ambr002 . 1 RC5 H2' . . . 2l8u_ambr002 . 2 RC H5 . . c17401_2l8u 1 102 1 . . 2 1 1 1 C H6 H . . . 2 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H6 . . B . 11 C H6 . 2l8u_ambr002 . 1 RC5 H6 . . . 2l8u_ambr002 . 2 RC H6 . . c17401_2l8u 1 103 1 . . 2 1 1 1 C H1' H . . . 2 1 2 2 C H5 H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H1' . . B . 11 C H5 . 2l8u_ambr002 . 1 RC5 H1' . . . 2l8u_ambr002 . 2 RC H5 . . c17401_2l8u 1 104 1 . . 2 1 1 1 C H1' H . . . 2 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H1' . . B . 11 C H6 . 2l8u_ambr002 . 1 RC5 H1' . . . 2l8u_ambr002 . 2 RC H6 . . c17401_2l8u 1 105 1 . . 2 1 1 1 C H3' H . . . 2 1 2 2 C H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 10 C H3' . . B . 11 C H6 . 2l8u_ambr002 . 1 RC5 H3' . . . 2l8u_ambr002 . 2 RC H6 . . c17401_2l8u 1 106 1 . . 2 1 1 1 C H5 H . . . 2 1 2 2 C H5 H . . . . . 3.75 2.60 4.25 . . . . . B . 10 C H5 . . B . 11 C H5 . 2l8u_ambr002 . 1 RC5 H5 . . . 2l8u_ambr002 . 2 RC H5 . . c17401_2l8u 1 107 1 . . 2 1 2 2 C H6 H . . . 2 1 2 2 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 11 C H6 . . B . 11 C H5 . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 2 RC H5 . . c17401_2l8u 1 108 1 . . 2 1 2 2 C H6 H . . . 2 1 2 2 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 11 C H6 . . B . 11 C H5 . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 2 RC H5 . . c17401_2l8u 1 109 1 . . 2 1 2 2 C H2' H . . . 2 1 2 2 C H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 11 C H2' . . B . 11 C H1' . 2l8u_ambr002 . 2 RC H2' . . . 2l8u_ambr002 . 2 RC H1' . . c17401_2l8u 1 110 1 . . 2 1 2 2 C H6 H . . . 2 1 2 2 C H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 11 C H6 . . B . 11 C H2' . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 2 RC H2' . . c17401_2l8u 1 111 1 . . 2 1 2 2 C H6 H . . . 2 1 2 2 C H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 11 C H6 . . B . 11 C H3' . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 2 RC H3' . . c17401_2l8u 1 112 1 . . 2 1 2 2 C H6 H . . . 2 1 2 2 C H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 11 C H6 . . B . 11 C H1' . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 2 RC H1' . . c17401_2l8u 1 113 1 . . 2 1 2 2 C H2' H . . . 2 1 3 3 G H8 H . . . . . 2.60 2.00 3.10 . . . . . B . 11 C H2' . . B . 12 G H8 . 2l8u_ambr002 . 2 RC H2' . . . 2l8u_ambr002 . 3 RG H8 . . c17401_2l8u 1 114 1 . . 2 1 2 2 C H6 H . . . 2 1 3 3 G H8 H . . . . . 5.00 3.75 5.50 . . . . . B . 11 C H6 . . B . 12 G H8 . 2l8u_ambr002 . 2 RC H6 . . . 2l8u_ambr002 . 3 RG H8 . . c17401_2l8u 1 115 1 . . 2 1 2 2 C H1' H . . . 2 1 3 3 G H8 H . . . . . 4.50 2.60 5.00 . . . . . B . 11 C H1' . . B . 12 G H8 . 2l8u_ambr002 . 2 RC H1' . . . 2l8u_ambr002 . 3 RG H8 . . c17401_2l8u 1 116 1 . . 2 1 3 3 G H2' H . . . 2 1 3 3 G H1' H . . . . . 5.00 2.60 5.50 . . . . . B . 12 G H2' . . B . 12 G H1' . 2l8u_ambr002 . 3 RG H2' . . . 2l8u_ambr002 . 3 RG H1' . . c17401_2l8u 1 117 1 . . 2 1 3 3 G H8 H . . . 2 1 3 3 G H2' H . . . . . 4.50 2.60 5.00 . . . . . B . 12 G H8 . . B . 12 G H2' . 2l8u_ambr002 . 3 RG H8 . . . 2l8u_ambr002 . 3 RG H2' . . c17401_2l8u 1 118 1 . . 2 1 3 3 G H8 H . . . 2 1 3 3 G H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 12 G H8 . . B . 12 G H3' . 2l8u_ambr002 . 3 RG H8 . . . 2l8u_ambr002 . 3 RG H3' . . c17401_2l8u 1 119 1 . . 2 1 3 3 G H8 H . . . 2 1 3 3 G H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 12 G H8 . . B . 12 G H1' . 2l8u_ambr002 . 3 RG H8 . . . 2l8u_ambr002 . 3 RG H1' . . c17401_2l8u 1 120 1 . . 2 1 3 3 G H8 H . . . 2 1 3 3 G H5' H . . . . . 5.00 3.75 5.50 . . . . . B . 12 G H8 . . B . 12 G H5' . 2l8u_ambr002 . 3 RG H8 . . . 2l8u_ambr002 . 3 RG H5' . . c17401_2l8u 1 121 1 . . 2 1 3 3 G H2' H . . . 2 1 4 4 C H6 H . . . . . 2.60 2.00 3.10 . . . . . B . 12 G H2' . . B . 13 C H6 . 2l8u_ambr002 . 3 RG H2' . . . 2l8u_ambr002 . 4 RC H6 . . c17401_2l8u 1 122 1 . . 2 1 3 3 G H1' H . . . 2 1 4 4 C H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 12 G H1' . . B . 13 C H6 . 2l8u_ambr002 . 3 RG H1' . . . 2l8u_ambr002 . 4 RC H6 . . c17401_2l8u 1 123 1 . . 2 1 4 4 C H6 H . . . 2 1 4 4 C H3' H . . . . . 5.50 2.60 6.00 . . . . . B . 13 C H6 . . B . 13 C H3' . 2l8u_ambr002 . 4 RC H6 . . . 2l8u_ambr002 . 4 RC H3' . . c17401_2l8u 1 124 1 . . 2 1 4 4 C H6 H . . . 2 1 4 4 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 13 C H6 . . B . 13 C H5 . 2l8u_ambr002 . 4 RC H6 . . . 2l8u_ambr002 . 4 RC H5 . . c17401_2l8u 1 125 1 . . 2 1 4 4 C H6 H . . . 2 1 4 4 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 13 C H6 . . B . 13 C H5 . 2l8u_ambr002 . 4 RC H6 . . . 2l8u_ambr002 . 4 RC H5 . . c17401_2l8u 1 126 1 . . 2 1 4 4 C H2' H . . . 2 1 4 4 C H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 13 C H2' . . B . 13 C H1' . 2l8u_ambr002 . 4 RC H2' . . . 2l8u_ambr002 . 4 RC H1' . . c17401_2l8u 1 127 1 . . 2 1 4 4 C H6 H . . . 2 1 4 4 C H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 13 C H6 . . B . 13 C H2' . 2l8u_ambr002 . 4 RC H6 . . . 2l8u_ambr002 . 4 RC H2' . . c17401_2l8u 1 128 1 . . 2 1 4 4 C H6 H . . . 2 1 4 4 C H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 13 C H6 . . B . 13 C H1' . 2l8u_ambr002 . 4 RC H6 . . . 2l8u_ambr002 . 4 RC H1' . . c17401_2l8u 1 129 1 . . 2 1 4 4 C H5 H . . . 2 1 4 4 C H2' H . . . . . 5.00 3.75 5.50 . . . . . B . 13 C H5 . . B . 13 C H2' . 2l8u_ambr002 . 4 RC H5 . . . 2l8u_ambr002 . 4 RC H2' . . c17401_2l8u 1 130 1 . . 2 1 4 4 C H2' H . . . 2 1 5 5 U H6 H . . . . . 5.00 2.60 5.50 . . . . . B . 13 C H2' . . B . 14 U H6 . 2l8u_ambr002 . 4 RC H2' . . . 2l8u_ambr002 . 5 RU H6 . . c17401_2l8u 1 131 1 . . 2 1 4 4 C H2' H . . . 2 1 5 5 U H5 H . . . . . 5.00 2.60 5.50 . . . . . B . 13 C H2' . . B . 14 U H5 . 2l8u_ambr002 . 4 RC H2' . . . 2l8u_ambr002 . 5 RU H5 . . c17401_2l8u 1 132 1 . . 2 1 4 4 C H5 H . . . 2 1 5 5 U H5 H . . . . . 3.75 2.60 4.25 . . . . . B . 13 C H5 . . B . 14 U H5 . 2l8u_ambr002 . 4 RC H5 . . . 2l8u_ambr002 . 5 RU H5 . . c17401_2l8u 1 133 1 . . 2 1 4 4 C H1' H . . . 2 1 5 5 U H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 13 C H1' . . B . 14 U H6 . 2l8u_ambr002 . 4 RC H1' . . . 2l8u_ambr002 . 5 RU H6 . . c17401_2l8u 1 134 1 . . 2 1 4 4 C H3' H . . . 2 1 5 5 U H6 H . . . . . 5.00 2.60 5.50 . . . . . B . 13 C H3' . . B . 14 U H6 . 2l8u_ambr002 . 4 RC H3' . . . 2l8u_ambr002 . 5 RU H6 . . c17401_2l8u 1 135 1 . . 2 1 5 5 U H6 H . . . 2 1 5 5 U H1' H . . . . . 4.50 2.60 5.00 . . . . . B . 14 U H6 . . B . 14 U H1' . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 5 RU H1' . . c17401_2l8u 1 136 1 . . 2 1 5 5 U H6 H . . . 2 1 5 5 U H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 14 U H6 . . B . 14 U H5 . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 5 RU H5 . . c17401_2l8u 1 137 1 . . 2 1 5 5 U H1' H . . . 2 1 5 5 U H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 14 U H1' . . B . 14 U H2' . 2l8u_ambr002 . 5 RU H1' . . . 2l8u_ambr002 . 5 RU H2' . . c17401_2l8u 1 138 1 . . 2 1 5 5 U H6 H . . . 2 1 5 5 U H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 14 U H6 . . B . 14 U H2' . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 5 RU H2' . . c17401_2l8u 1 139 1 . . 2 1 5 5 U H2' H . . . 2 1 5 5 U H3' H . . . . . 2.60 2.00 3.10 . . . . . B . 14 U H2' . . B . 14 U H3' . 2l8u_ambr002 . 5 RU H2' . . . 2l8u_ambr002 . 5 RU H3' . . c17401_2l8u 1 140 1 . . 2 1 5 5 U H6 H . . . 2 1 5 5 U H5' H . . . . . 5.00 3.75 5.50 . . . . . B . 14 U H6 . . B . 14 U H5' . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 5 RU H5' . . c17401_2l8u 1 141 1 . . 2 1 5 5 U H6 H . . . 2 1 5 5 U H3' H . . . . . 5.00 3.75 5.50 . . . . . B . 14 U H6 . . B . 14 U H3' . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 5 RU H3' . . c17401_2l8u 1 142 1 . . 2 1 5 5 U H2' H . . . 2 1 6 6 G H8 H . . . . . 2.60 2.00 3.10 . . . . . B . 14 U H2' . . B . 15 G H8 . 2l8u_ambr002 . 5 RU H2' . . . 2l8u_ambr002 . 6 RG H8 . . c17401_2l8u 1 143 1 . . 2 1 5 5 U H1' H . . . 2 1 6 6 G H8 H . . . . . 5.00 3.75 5.50 . . . . . B . 14 U H1' . . B . 15 G H8 . 2l8u_ambr002 . 5 RU H1' . . . 2l8u_ambr002 . 6 RG H8 . . c17401_2l8u 1 144 1 . . 2 1 5 5 U H6 H . . . 2 1 6 6 G H8 H . . . . . 5.00 3.75 5.50 . . . . . B . 14 U H6 . . B . 15 G H8 . 2l8u_ambr002 . 5 RU H6 . . . 2l8u_ambr002 . 6 RG H8 . . c17401_2l8u 1 145 1 . . 2 1 5 5 U H2' H . . . 2 1 6 6 G H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 14 U H2' . . B . 15 G H1' . 2l8u_ambr002 . 5 RU H2' . . . 2l8u_ambr002 . 6 RG H1' . . c17401_2l8u 1 146 1 . . 2 1 5 5 U H3' H . . . 2 1 6 6 G H8 H . . . . . 5.00 2.60 5.50 . . . . . B . 14 U H3' . . B . 15 G H8 . 2l8u_ambr002 . 5 RU H3' . . . 2l8u_ambr002 . 6 RG H8 . . c17401_2l8u 1 147 1 . . 2 1 6 6 G H1' H . . . 2 1 6 6 G H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 15 G H1' . . B . 15 G H2' . 2l8u_ambr002 . 6 RG H1' . . . 2l8u_ambr002 . 6 RG H2' . . c17401_2l8u 1 148 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 15 G H8 . . B . 15 G H2' . 2l8u_ambr002 . 6 RG H8 . . . 2l8u_ambr002 . 6 RG H2' . . c17401_2l8u 1 149 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 15 G H8 . . B . 15 G H3' . 2l8u_ambr002 . 6 RG H8 . . . 2l8u_ambr002 . 6 RG H3' . . c17401_2l8u 1 150 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 15 G H8 . . B . 15 G H1' . 2l8u_ambr002 . 6 RG H8 . . . 2l8u_ambr002 . 6 RG H1' . . c17401_2l8u 1 151 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H5' H . . . . . 5.00 3.75 5.50 . . . . . B . 15 G H8 . . B . 15 G H5' . 2l8u_ambr002 . 6 RG H8 . . . 2l8u_ambr002 . 6 RG H5' . . c17401_2l8u 1 152 1 . . 2 1 6 6 G H1' H . . . 2 1 7 7 C H6 H . . . . . 5.00 3.75 5.50 . . . . . B . 15 G H1' . . B . 16 C H6 . 2l8u_ambr002 . 6 RG H1' . . . 2l8u_ambr002 . 7 RC H6 . . c17401_2l8u 1 153 1 . . 2 1 6 6 G H1' H . . . 2 1 7 7 C H5 H . . . . . 4.50 2.60 5.00 . . . . . B . 15 G H1' . . B . 16 C H5 . 2l8u_ambr002 . 6 RG H1' . . . 2l8u_ambr002 . 7 RC H5 . . c17401_2l8u 1 154 1 . . 2 1 6 6 G H2' H . . . 2 1 7 7 C H5 H . . . . . 3.75 2.00 4.25 . . . . . B . 15 G H2' . . B . 16 C H5 . 2l8u_ambr002 . 6 RG H2' . . . 2l8u_ambr002 . 7 RC H5 . . c17401_2l8u 1 155 1 . . 2 1 6 6 G H2' H . . . 2 1 7 7 C H6 H . . . . . 2.60 2.00 3.10 . . . . . B . 15 G H2' . . B . 16 C H6 . 2l8u_ambr002 . 6 RG H2' . . . 2l8u_ambr002 . 7 RC H6 . . c17401_2l8u 1 156 1 . . 2 1 6 6 G H8 H . . . 2 1 7 7 C H5 H . . . . . 5.50 3.75 6.00 . . . . . B . 15 G H8 . . B . 16 C H5 . 2l8u_ambr002 . 6 RG H8 . . . 2l8u_ambr002 . 7 RC H5 . . c17401_2l8u 1 157 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H2' H . . . . . 5.00 3.75 5.50 . . . . . B . 16 C H6 . . B . 16 C H2' . 2l8u_ambr002 . 7 RC H6 . . . 2l8u_ambr002 . 7 RC H2' . . c17401_2l8u 1 158 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H3' H . . . . . 5.00 3.75 5.50 . . . . . B . 16 C H6 . . B . 16 C H3' . 2l8u_ambr002 . 7 RC H6 . . . 2l8u_ambr002 . 7 RC H3' . . c17401_2l8u 1 159 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H5 H . . . . . 2.60 2.40 3.10 . . . . . B . 16 C H6 . . B . 16 C H5 . 2l8u_ambr002 . 7 RC H6 . . . 2l8u_ambr002 . 7 RC H5 . . c17401_2l8u 1 160 1 . . 2 1 7 7 C H2' H . . . 2 1 7 7 C H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 16 C H2' . . B . 16 C H1' . 2l8u_ambr002 . 7 RC H2' . . . 2l8u_ambr002 . 7 RC H1' . . c17401_2l8u 1 161 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H1' H . . . . . 5.00 3.50 5.50 . . . . . B . 16 C H6 . . B . 16 C H1' . 2l8u_ambr002 . 7 RC H6 . . . 2l8u_ambr002 . 7 RC H1' . . c17401_2l8u 1 162 1 . . 2 1 7 7 C H2' H . . . 2 1 8 8 G H8 H . . . . . 2.60 2.00 3.10 . . . . . B . 16 C H2' . . B . 17 G H8 . 2l8u_ambr002 . 7 RC H2' . . . 2l8u_ambr002 . 8 RG H8 . . c17401_2l8u 1 163 1 . . 2 1 7 7 C H1' H . . . 2 1 8 8 G H8 H . . . . . 5.00 3.75 5.50 . . . . . B . 16 C H1' . . B . 17 G H8 . 2l8u_ambr002 . 7 RC H1' . . . 2l8u_ambr002 . 8 RG H8 . . c17401_2l8u 1 164 1 . . 2 1 7 7 C H5 H . . . 2 1 8 8 G H8 H . . . . . 5.50 3.75 6.00 . . . . . B . 16 C H5 . . B . 17 G H8 . 2l8u_ambr002 . 7 RC H5 . . . 2l8u_ambr002 . 8 RG H8 . . c17401_2l8u 1 165 1 . . 2 1 7 7 C H3' H . . . 2 1 8 8 G H8 H . . . . . 3.75 2.60 4.25 . . . . . B . 16 C H3' . . B . 17 G H8 . 2l8u_ambr002 . 7 RC H3' . . . 2l8u_ambr002 . 8 RG H8 . . c17401_2l8u 1 166 1 . . 2 1 7 7 C H6 H . . . 2 1 8 8 G H8 H . . . . . 5.50 3.75 6.00 . . . . . B . 16 C H6 . . B . 17 G H8 . 2l8u_ambr002 . 7 RC H6 . . . 2l8u_ambr002 . 8 RG H8 . . c17401_2l8u 1 167 1 . . 2 1 8 8 G H2' H . . . 2 1 8 8 G H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 17 G H2' . . B . 17 G H1' . 2l8u_ambr002 . 8 RG H2' . . . 2l8u_ambr002 . 8 RG H1' . . c17401_2l8u 1 168 1 . . 2 1 8 8 G H8 H . . . 2 1 8 8 G H1' H . . . . . 3.75 2.60 4.25 . . . . . B . 17 G H8 . . B . 17 G H1' . 2l8u_ambr002 . 8 RG H8 . . . 2l8u_ambr002 . 8 RG H1' . . c17401_2l8u 1 169 1 . . 2 1 8 8 G H8 H . . . 2 1 8 8 G H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 17 G H8 . . B . 17 G H3' . 2l8u_ambr002 . 8 RG H8 . . . 2l8u_ambr002 . 8 RG H3' . . c17401_2l8u 1 170 1 . . 2 1 8 8 G H8 H . . . 2 1 8 8 G H5' H . . . . . 5.00 3.75 5.50 . . . . . B . 17 G H8 . . B . 17 G H5' . 2l8u_ambr002 . 8 RG H8 . . . 2l8u_ambr002 . 8 RG H5' . . c17401_2l8u 1 171 1 . . 2 1 8 8 G H8 H . . . 2 1 8 8 G H2' H . . . . . 5.00 3.75 5.50 . . . . . B . 17 G H8 . . B . 17 G H2' . 2l8u_ambr002 . 8 RG H8 . . . 2l8u_ambr002 . 8 RG H2' . . c17401_2l8u 1 172 1 . . 2 1 8 8 G H3' H . . . 2 1 9 9 G H8 H . . . . . 3.75 2.60 4.25 . . . . . B . 17 G H3' . . B . 18 G H8 . 2l8u_ambr002 . 8 RG H3' . . . 2l8u_ambr002 . 9 RG3 H8 . . c17401_2l8u 1 173 1 . . 2 1 8 8 G H2' H . . . 2 1 9 9 G H8 H . . . . . 2.60 2.00 3.10 . . . . . B . 17 G H2' . . B . 18 G H8 . 2l8u_ambr002 . 8 RG H2' . . . 2l8u_ambr002 . 9 RG3 H8 . . c17401_2l8u 1 174 1 . . 2 1 8 8 G H1' H . . . 2 1 9 9 G H8 H . . . . . 5.00 3.75 5.50 . . . . . B . 17 G H1' . . B . 18 G H8 . 2l8u_ambr002 . 8 RG H1' . . . 2l8u_ambr002 . 9 RG3 H8 . . c17401_2l8u 1 175 1 . . 2 1 8 8 G H8 H . . . 2 1 9 9 G H8 H . . . . . 5.50 3.75 6.00 . . . . . B . 17 G H8 . . B . 18 G H8 . 2l8u_ambr002 . 8 RG H8 . . . 2l8u_ambr002 . 9 RG3 H8 . . c17401_2l8u 1 176 1 . . 2 1 9 9 G H8 H . . . 2 1 9 9 G H2' H . . . . . 3.75 2.60 4.25 . . . . . B . 18 G H8 . . B . 18 G H2' . 2l8u_ambr002 . 9 RG3 H8 . . . 2l8u_ambr002 . 9 RG3 H2' . . c17401_2l8u 1 177 1 . . 2 1 9 9 G H8 H . . . 2 1 9 9 G H3' H . . . . . 3.75 2.60 4.25 . . . . . B . 18 G H8 . . B . 18 G H3' . 2l8u_ambr002 . 9 RG3 H8 . . . 2l8u_ambr002 . 9 RG3 H3' . . c17401_2l8u 1 178 1 . . 2 1 9 9 G H2' H . . . 2 1 9 9 G H3' H . . . . . 2.60 2.00 3.10 . . . . . B . 18 G H2' . . B . 18 G H3' . 2l8u_ambr002 . 9 RG3 H2' . . . 2l8u_ambr002 . 9 RG3 H3' . . c17401_2l8u 1 179 1 . . 2 1 9 9 G H8 H . . . 2 1 9 9 G H1' H . . . . . 5.00 3.75 5.50 . . . . . B . 18 G H8 . . B . 18 G H1' . 2l8u_ambr002 . 9 RG3 H8 . . . 2l8u_ambr002 . 9 RG3 H1' . . c17401_2l8u 1 180 1 . . 1 1 1 1 C C1' C . . . 2 1 9 9 G C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 1 C C1' . . B . 18 G C1' . 2l8u_ambr001 . 1 RC5 C1' . . . 2l8u_ambr002 . 9 RG3 C1' . . c17401_2l8u 1 181 1 . . 1 1 2 2 C C1' C . . . 2 1 8 8 G C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 2 C C1' . . B . 17 G C1' . 2l8u_ambr001 . 2 RC C1' . . . 2l8u_ambr002 . 8 RG C1' . . c17401_2l8u 1 182 1 . . 1 1 3 3 G C1' C . . . 2 1 7 7 C C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 3 G C1' . . B . 16 C C1' . 2l8u_ambr001 . 3 RG C1' . . . 2l8u_ambr002 . 7 RC C1' . . c17401_2l8u 1 183 1 . . 1 1 4 4 C C1' C . . . 2 1 6 6 G C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 4 C C1' . . B . 15 G C1' . 2l8u_ambr001 . 4 RC C1' . . . 2l8u_ambr002 . 6 RG C1' . . c17401_2l8u 1 184 1 . . 1 1 6 6 G C1' C . . . 2 1 4 4 C C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 6 G C1' . . B . 13 C C1' . 2l8u_ambr001 . 6 RG C1' . . . 2l8u_ambr002 . 4 RC C1' . . c17401_2l8u 1 185 1 . . 1 1 7 7 C C1' C . . . 2 1 3 3 G C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 7 C C1' . . B . 12 G C1' . 2l8u_ambr001 . 7 RC C1' . . . 2l8u_ambr002 . 3 RG C1' . . c17401_2l8u 1 186 1 . . 1 1 8 8 G C1' C . . . 2 1 2 2 C C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 8 G C1' . . B . 11 C C1' . 2l8u_ambr001 . 8 RG C1' . . . 2l8u_ambr002 . 2 RC C1' . . c17401_2l8u 1 187 1 . . 1 1 9 9 G C1' C . . . 2 1 1 1 C C1' C . . . . . 10.90 10.60 11.40 . . . . . A . 9 G C1' . . B . 10 C C1' . 2l8u_ambr001 . 9 RG3 C1' . . . 2l8u_ambr002 . 1 RC5 C1' . . c17401_2l8u 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 '1 RC5 H6 1 RC5 H5 2.40 2.60' 1 1 2 46 c17401_2l8u 1 2 '1 RC5 H5 1 RC5 H6 2.40 2.60' 7 1 8 46 c17401_2l8u 1 3 "1 RC5 H2'1 1 RC5 H1' 2.60 3.75" 11 1 12 46 c17401_2l8u 1 4 "1 RC5 H2'1 1 RC5 H6 2.60 3.75" 15 1 16 46 c17401_2l8u 1 5 "1 RC5 H3' 1 RC5 H6 2.60 3.75" 19 1 20 46 c17401_2l8u 1 6 "1 RC5 H4' 1 RC5 H6 4.50 5.50" 23 1 24 46 c17401_2l8u 1 7 "1 RC5 H3' 1 RC5 H1' 3.75 5.00" 27 1 28 46 c17401_2l8u 1 8 "1 RC5 H1' 1 RC5 H6 3.75 5.00" 31 1 32 46 c17401_2l8u 1 9 "1 RC5 H5'1 1 RC5 H6 3.75 5.00" 35 1 36 46 c17401_2l8u 1 10 "1 RC5 H5'2 1 RC5 H6 3.75 5.00" 39 1 40 46 c17401_2l8u 1 11 "1 RC5 H2'1 2 RC H6 2.00 2.60" 43 1 44 46 c17401_2l8u 1 12 "1 RC5 H2'1 2 RC H5 2.60 3.75" 47 1 48 46 c17401_2l8u 1 13 '1 RC5 H6 2 RC H6 3.75 5.00' 51 1 52 46 c17401_2l8u 1 14 '1 RC5 H5 2 RC H5 2.60 3.75' 55 1 56 46 c17401_2l8u 1 15 "1 RC5 H1' 2 RC H6 3.75 5.00" 59 1 60 46 c17401_2l8u 1 16 "1 RC5 H3' 2 RC H6 3.75 5.00" 63 1 64 46 c17401_2l8u 1 17 "1 RC5 H1' 2 RC H5 3.75 5.00" 67 1 68 46 c17401_2l8u 1 18 '2 RC H6 2 RC H5 2.40 2.60' 71 1 72 46 c17401_2l8u 1 19 '2 RC H5 2 RC H6 2.40 2.60' 75 1 76 46 c17401_2l8u 1 20 "2 RC H2'1 2 RC H1' 2.60 3.75" 79 1 80 46 c17401_2l8u 1 21 "2 RC H2'1 2 RC H6 2.60 3.75" 83 1 84 46 c17401_2l8u 1 22 "2 RC H3' 2 RC H6 2.60 3.75" 87 1 88 46 c17401_2l8u 1 23 "2 RC H1' 2 RC H6 3.75 5.00" 91 1 92 46 c17401_2l8u 1 24 "2 RC H1' 3 RG H8 2.60 4.50" 95 1 96 46 c17401_2l8u 1 25 "2 RC H2'1 3 RG H8 2.00 2.60" 99 1 100 46 c17401_2l8u 1 26 '2 RC H6 3 RG H8 3.75 5.00' 103 1 104 46 c17401_2l8u 1 27 "3 RG H2'1 3 RG H1' 2.60 5.00" 107 1 108 45 c17401_2l8u 1 28 "3 RG H2'1 3 RG H8 2.60 4.50" 111 1 112 45 c17401_2l8u 1 29 "3 RG H3' 3 RG H8 2.60 3.75" 115 1 116 47 c17401_2l8u 1 30 "3 RG H1' 3 RG H8 3.75 5.00" 119 1 120 46 c17401_2l8u 1 31 "3 RG H5'1 3 RG H8 3.75 5.00" 123 1 124 47 c17401_2l8u 1 32 "3 RG H1' 4 RC H6 3.75 5.50" 127 1 128 46 c17401_2l8u 1 33 "3 RG H2'1 4 RC H6 2.00 2.60" 131 1 132 46 c17401_2l8u 1 34 "4 RC H3' 4 RC H6 2.60 5.00" 135 1 136 46 c17401_2l8u 1 35 '4 RC H6 4 RC H5 2.40 2.60' 139 1 140 46 c17401_2l8u 1 36 '4 RC H5 4 RC H6 2.40 2.60' 143 1 144 46 c17401_2l8u 1 37 "4 RC H2'1 4 RC H1' 2.60 3.75" 147 1 148 46 c17401_2l8u 1 38 "4 RC H2'1 4 RC H6 2.60 3.75" 151 1 152 47 c17401_2l8u 1 39 "4 RC H1' 4 RC H6 3.75 5.00" 155 1 156 46 c17401_2l8u 1 40 "4 RC H2'1 4 RC H5 3.75 5.00" 159 1 160 46 c17401_2l8u 1 41 "4 RC H2'1 5 RU H6 2.60 5.00" 163 1 164 46 c17401_2l8u 1 42 "4 RC H2'1 5 RU H5 2.60 5.00" 167 1 168 46 c17401_2l8u 1 43 '4 RC H5 5 RU H5 2.60 3.75' 171 1 172 46 c17401_2l8u 1 44 "4 RC H1' 5 RU H6 3.75 5.00" 175 1 176 46 c17401_2l8u 1 45 "4 RC H3' 5 RU H6 2.60 5.00" 179 1 180 46 c17401_2l8u 1 46 "5 RU H1' 5 RU H6 2.60 4.50" 183 1 184 46 c17401_2l8u 1 47 '5 RU H6 5 RU H5 2.40 2.60' 187 1 188 45 c17401_2l8u 1 48 ; 5 RU H6 5 RU H6 2.60 4.50 This appears to be self-referential: ignoring 5 RU H2'1 5 RU H1' 2.60 3.75 ; 191 1 195 46 c17401_2l8u 1 49 "5 RU H2'1 5 RU H6 2.60 3.75" 198 1 199 47 c17401_2l8u 1 50 "5 RU H3' 5 RU H2'1 2.00 2.60" 202 1 203 46 c17401_2l8u 1 51 "5 RU H5'1 5 RU H6 3.75 5.00" 206 1 207 46 c17401_2l8u 1 52 "5 RU H3' 5 RU H6 3.75 5.00" 210 1 211 46 c17401_2l8u 1 53 "5 RU H3' 6 RG H8 2.60 5.00" 214 1 215 46 c17401_2l8u 1 54 "5 RU H2'1 6 RG H8 2.00 2.60" 218 1 219 46 c17401_2l8u 1 55 "5 RU H1' 6 RG H8 3.75 5.00" 222 1 223 46 c17401_2l8u 1 56 '5 RU H6 6 RG H8 3.75 5.00' 226 1 227 46 c17401_2l8u 1 57 "5 RU H2'1 6 RG H1' 3.75 5.00" 230 1 231 46 c17401_2l8u 1 58 "6 RG H2'1 6 RG H1' 2.60 3.75" 234 1 235 46 c17401_2l8u 1 59 "6 RG H2'1 6 RG H8 2.60 3.75" 238 1 239 46 c17401_2l8u 1 60 "6 RG H3' 6 RG H8 2.60 3.75" 242 1 243 46 c17401_2l8u 1 61 "6 RG H1' 6 RG H8 3.75 5.00" 246 1 247 46 c17401_2l8u 1 62 "6 RG H5'1 6 RG H8 3.75 5.00" 250 1 251 46 c17401_2l8u 1 63 "6 RG H1' 7 RC H6 3.75 5.00" 254 1 255 46 c17401_2l8u 1 64 "6 RG H2'1 7 RC H5 2.60 4.50" 258 1 259 45 c17401_2l8u 1 65 "6 RG H1' 7 RC H5 2.60 4.50" 262 1 263 45 c17401_2l8u 1 66 '6 RG H8 7 RC H5 3.75 5.50' 266 1 267 46 c17401_2l8u 1 67 "6 RG H2'1 7 RC H6 2.00 2.60" 270 1 271 46 c17401_2l8u 1 68 "7 RC H3' 7 RC H6 3.75 5.00" 274 1 275 46 c17401_2l8u 1 69 '7 RC H6 7 RC H5 2.40 2.60' 278 1 279 46 c17401_2l8u 1 70 "7 RC H2'1 7 RC H1' 2.60 3.75" 282 1 283 46 c17401_2l8u 1 71 "7 RC H2'1 7 RC H6 3.75 5.00" 286 1 287 45 c17401_2l8u 1 72 "7 RC H1' 7 RC H6 3.50 5.00" 290 1 291 46 c17401_2l8u 1 73 "7 RC H2'1 8 RG H8 2.00 2.60" 294 1 295 46 c17401_2l8u 1 74 "7 RC H1' 8 RG H8 3.75 5.00" 298 1 299 46 c17401_2l8u 1 75 '7 RC H5 8 RG H8 3.75 5.00' 302 1 303 46 c17401_2l8u 1 76 '7 RC H6 8 RG H8 3.75 5.50' 306 1 307 46 c17401_2l8u 1 77 "7 RC H3' 8 RG H8 2.60 3.75" 310 1 311 46 c17401_2l8u 1 78 '7 RC H6 8 RG H8 3.75 5.00' 314 1 315 46 c17401_2l8u 1 79 "8 RG H2'1 8 RG H1' 2.60 3.75" 318 1 319 46 c17401_2l8u 1 80 "8 RG H1' 8 RG H8 2.60 3.75" 322 1 323 46 c17401_2l8u 1 81 "8 RG H3' 8 RG H8 2.60 3.75" 326 1 327 46 c17401_2l8u 1 82 "8 RG H5'1 8 RG H8 3.75 5.00" 330 1 331 46 c17401_2l8u 1 83 "8 RG H2'1 8 RG H8 3.75 5.00" 334 1 335 46 c17401_2l8u 1 84 "8 RG H3' 9 RG3 H8 2.60 3.75" 338 1 339 46 c17401_2l8u 1 85 "8 RG H2'1 9 RG3 H8 2.00 2.60" 342 1 343 46 c17401_2l8u 1 86 "8 RG H1' 9 RG3 H8 3.75 5.00" 346 1 347 46 c17401_2l8u 1 87 '8 RG H8 9 RG3 H8 3.75 5.50' 350 1 351 46 c17401_2l8u 1 88 "9 RG3 H2'1 9 RG3 H8 2.60 3.75" 354 1 355 46 c17401_2l8u 1 89 "9 RG3 H3' 9 RG3 H8 2.60 3.75" 358 1 359 47 c17401_2l8u 1 90 "9 RG3 H3' 9 RG3 H2'1 2.00 2.60" 362 1 363 46 c17401_2l8u 1 91 "9 RG3 H1' 9 RG3 H8 3.75 5.00" 366 1 367 46 c17401_2l8u 1 92 '10 RC5 H6 10 RC5 H5 2.40 2.60' 370 1 371 46 c17401_2l8u 1 93 '10 RC5 H5 10 RC5 H6 2.40 2.60' 374 1 375 46 c17401_2l8u 1 94 "10 RC5 H2'1 10 RC5 H1' 2.60 3.75" 378 1 379 46 c17401_2l8u 1 95 "10 RC5 H5'1 10 RC5 H6 2.60 3.75" 382 1 383 46 c17401_2l8u 1 96 "10 RC5 H2'1 10 RC5 H6 2.60 3.75" 386 1 387 46 c17401_2l8u 1 97 "10 RC5 H3' 10 RC5 H6 2.60 3.75" 390 1 391 46 c17401_2l8u 1 98 "10 RC5 H1' 10 RC5 H6 3.75 5.00" 394 1 395 46 c17401_2l8u 1 99 "10 RC5 H5'2 10 RC5 H6 3.75 5.00" 398 1 399 46 c17401_2l8u 1 100 "10 RC5 H2'1 11 RC H6 2.00 2.60" 402 1 403 46 c17401_2l8u 1 101 "10 RC5 H2'1 11 RC H5 2.60 3.75" 406 1 407 46 c17401_2l8u 1 102 '10 RC5 H6 11 RC H6 3.75 5.00' 410 1 411 46 c17401_2l8u 1 103 "10 RC5 H1' 11 RC H5 3.75 5.00" 414 1 415 46 c17401_2l8u 1 104 "10 RC5 H1' 11 RC H6 3.75 5.00" 418 1 419 46 c17401_2l8u 1 105 "10 RC5 H3' 11 RC H6 3.75 5.00" 422 1 423 46 c17401_2l8u 1 106 '10 RC5 H5 11 RC H5 2.60 3.75' 426 1 427 46 c17401_2l8u 1 107 '11 RC H6 11 RC H5 2.40 2.60' 430 1 431 46 c17401_2l8u 1 108 '11 RC H5 11 RC H6 2.40 2.60' 434 1 435 46 c17401_2l8u 1 109 "11 RC H2'1 11 RC H1' 2.60 3.75" 438 1 439 46 c17401_2l8u 1 110 "11 RC H2'1 11 RC H6 2.60 3.75" 442 1 443 46 c17401_2l8u 1 111 "11 RC H3' 11 RC H6 2.60 3.75" 446 1 447 46 c17401_2l8u 1 112 "11 RC H1' 11 RC H6 3.75 5.00" 450 1 451 46 c17401_2l8u 1 113 "11 RC H2'1 12 RG H8 2.00 2.60" 454 1 455 47 c17401_2l8u 1 114 '11 RC H6 12 RG H8 3.75 5.00' 458 1 459 45 c17401_2l8u 1 115 "11 RC H1' 12 RG H8 2.60 4.50" 462 1 463 45 c17401_2l8u 1 116 "12 RG H2'1 12 RG H1' 2.60 5.00" 466 1 467 46 c17401_2l8u 1 117 "12 RG H2'1 12 RG H8 2.60 4.50" 470 1 471 46 c17401_2l8u 1 118 "12 RG H3' 12 RG H8 2.60 3.75" 474 1 475 46 c17401_2l8u 1 119 "12 RG H1' 12 RG H8 3.75 5.00" 478 1 479 47 c17401_2l8u 1 120 "12 RG H5'1 12 RG H8 3.75 5.00" 482 1 483 46 c17401_2l8u 1 121 "12 RG H2'1 13 RC H6 2.00 2.60" 486 1 487 46 c17401_2l8u 1 122 "12 RG H1' 13 RC H6 3.75 5.00" 490 1 491 46 c17401_2l8u 1 123 "13 RC H3' 13 RC H6 2.60 5.50" 494 1 495 46 c17401_2l8u 1 124 '13 RC H6 13 RC H5 2.40 2.60' 498 1 499 46 c17401_2l8u 1 125 '13 RC H5 13 RC H6 2.40 2.60' 502 1 503 46 c17401_2l8u 1 126 "13 RC H2'1 13 RC H1' 2.60 3.75" 506 1 507 46 c17401_2l8u 1 127 "13 RC H2'1 13 RC H6 2.60 3.75" 510 1 511 46 c17401_2l8u 1 128 "13 RC H1' 13 RC H6 3.75 5.00" 514 1 515 46 c17401_2l8u 1 129 "13 RC H2'1 13 RC H5 3.75 5.00" 518 1 519 46 c17401_2l8u 1 130 "13 RC H2'1 14 RU H6 2.60 5.00" 522 1 523 46 c17401_2l8u 1 131 "13 RC H2'1 14 RU H5 2.60 5.00" 526 1 527 46 c17401_2l8u 1 132 '13 RC H5 14 RU H5 2.60 3.75' 530 1 531 46 c17401_2l8u 1 133 "13 RC H1' 14 RU H6 3.75 5.00" 534 1 535 46 c17401_2l8u 1 134 "13 RC H3' 14 RU H6 2.60 5.00" 538 1 539 46 c17401_2l8u 1 135 "14 RU H1' 14 RU H6 2.60 4.50" 542 1 543 46 c17401_2l8u 1 136 '14 RU H6 14 RU H5 2.40 2.60' 546 1 547 46 c17401_2l8u 1 137 "14 RU H2'1 14 RU H1' 2.60 3.75" 550 1 551 47 c17401_2l8u 1 138 "14 RU H2'1 14 RU H6 2.60 3.75" 554 1 555 46 c17401_2l8u 1 139 "14 RU H3' 14 RU H2'1 2.00 2.60" 558 1 559 46 c17401_2l8u 1 140 "14 RU H5'1 14 RU H6 3.75 5.00" 562 1 563 46 c17401_2l8u 1 141 "14 RU H3' 14 RU H6 3.75 5.00" 566 1 567 45 c17401_2l8u 1 142 "14 RU H2'1 15 RG H8 2.00 2.60" 570 1 571 46 c17401_2l8u 1 143 "14 RU H1' 15 RG H8 3.75 5.00" 574 1 575 46 c17401_2l8u 1 144 '14 RU H6 15 RG H8 3.75 5.00' 578 1 579 47 c17401_2l8u 1 145 "14 RU H2'1 15 RG H1' 3.75 5.00" 582 1 583 46 c17401_2l8u 1 146 "14 RU H3' 15 RG H8 2.60 5.00" 586 1 587 46 c17401_2l8u 1 147 "15 RG H2'1 15 RG H1' 2.60 3.75" 590 1 591 46 c17401_2l8u 1 148 "15 RG H2'1 15 RG H8 2.60 3.75" 594 1 595 46 c17401_2l8u 1 149 "15 RG H3' 15 RG H8 2.60 3.75" 598 1 599 46 c17401_2l8u 1 150 "15 RG H1' 15 RG H8 3.75 5.00" 602 1 603 46 c17401_2l8u 1 151 "15 RG H5'1 15 RG H8 3.75 5.00" 606 1 607 46 c17401_2l8u 1 152 "15 RG H1' 16 RC H6 3.75 5.00" 610 1 611 46 c17401_2l8u 1 153 "15 RG H1' 16 RC H5 2.60 4.50" 614 1 615 46 c17401_2l8u 1 154 "15 RG H2'1 16 RC H5 2.00 3.75" 618 1 619 46 c17401_2l8u 1 155 "15 RG H2'1 16 RC H6 2.00 2.60" 622 1 623 47 c17401_2l8u 1 156 '15 RG H8 16 RC H5 3.75 5.50' 626 1 627 45 c17401_2l8u 1 157 "16 RC H2'1 16 RC H6 3.75 5.00" 630 1 631 46 c17401_2l8u 1 158 "16 RC H3' 16 RC H6 3.75 5.00" 634 1 635 46 c17401_2l8u 1 159 '16 RC H6 16 RC H5 2.40 2.60' 638 1 639 46 c17401_2l8u 1 160 "16 RC H2'1 16 RC H1' 2.60 3.75" 642 1 643 46 c17401_2l8u 1 161 "16 RC H1' 16 RC H6 3.50 5.00" 646 1 647 46 c17401_2l8u 1 162 "16 RC H2'1 17 RG H8 2.00 2.60" 650 1 651 46 c17401_2l8u 1 163 "16 RC H1' 17 RG H8 3.75 5.00" 654 1 655 46 c17401_2l8u 1 164 '16 RC H5 17 RG H8 3.75 5.50' 658 1 659 45 c17401_2l8u 1 165 "16 RC H3' 17 RG H8 2.60 3.75" 662 1 663 46 c17401_2l8u 1 166 '16 RC H6 17 RG H8 3.75 5.50' 666 1 667 45 c17401_2l8u 1 167 "17 RG H2'1 17 RG H1' 2.60 3.75" 670 1 671 46 c17401_2l8u 1 168 "17 RG H1' 17 RG H8 2.60 3.75" 674 1 675 46 c17401_2l8u 1 169 "17 RG H3' 17 RG H8 2.60 3.75" 678 1 679 46 c17401_2l8u 1 170 "17 RG H5'1 17 RG H8 3.75 5.00" 682 1 683 46 c17401_2l8u 1 171 "17 RG H2'1 17 RG H8 3.75 5.00" 686 1 687 46 c17401_2l8u 1 172 "17 RG H3' 18 RG3 H8 2.60 3.75" 690 1 691 46 c17401_2l8u 1 173 "17 RG H2'1 18 RG3 H8 2.00 2.60" 694 1 695 46 c17401_2l8u 1 174 "17 RG H1' 18 RG3 H8 3.75 5.00" 698 1 699 46 c17401_2l8u 1 175 '17 RG H8 18 RG3 H8 3.75 5.50' 702 1 703 46 c17401_2l8u 1 176 "18 RG3 H2'1 18 RG3 H8 2.60 3.75" 706 1 707 46 c17401_2l8u 1 177 "18 RG3 H3' 18 RG3 H8 2.60 3.75" 710 1 711 46 c17401_2l8u 1 178 "18 RG3 H3' 18 RG3 H2'1 2.00 2.60" 714 1 715 46 c17401_2l8u 1 179 "18 RG3 H1' 18 RG3 H8 3.75 5.00" 718 1 719 46 c17401_2l8u 1 180 "1 RC5 C1' 18 RG3 C1' 10.60 10.90" 722 1 723 47 c17401_2l8u 1 181 "2 RC C1' 17 RG C1' 10.60 10.90" 726 1 727 47 c17401_2l8u 1 182 "3 RG C1' 16 RC C1' 10.60 10.90" 730 1 731 47 c17401_2l8u 1 183 "4 RC C1' 15 RG C1' 10.60 10.90" 734 1 735 47 c17401_2l8u 1 184 "6 RG C1' 13 RC C1' 10.60 10.90" 738 1 739 47 c17401_2l8u 1 185 "7 RC C1' 12 RG C1' 10.60 10.90" 742 1 743 47 c17401_2l8u 1 186 "8 RG C1' 11 RC C1' 10.60 10.90" 746 1 747 47 c17401_2l8u 1 187 "9 RG3 C1' 10 RC5 C1' 10.60 10.90" 750 1 751 46 c17401_2l8u 1 stop_ save_ save_AMBER_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c17401_2l8u _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c17401_2l8u 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 C O2 O . . . 2 1 9 9 G H21 H . . . . . 2.0 1.8 2.5 . . . . . A . 1 C O2 . . B . 18 G H21 . 2l8u_ambr001 . 1 RC5 O2 . . . 2l8u_ambr002 . 9 RG3 H21 . . c17401_2l8u 2 2 1 . . 1 1 1 1 C O2 O . . . 2 1 9 9 G N2 N . . . . . 3.0 2.7 3.5 . . . . . A . 1 C O2 . . B . 18 G N2 . 2l8u_ambr001 . 1 RC5 O2 . . . 2l8u_ambr002 . 9 RG3 N2 . . c17401_2l8u 2 3 1 . . 1 1 1 1 C N3 N . . . 2 1 9 9 G H1 H . . . . . 2.0 1.8 2.5 . . . . . A . 1 C N3 . . B . 18 G H1 . 2l8u_ambr001 . 1 RC5 N3 . . . 2l8u_ambr002 . 9 RG3 H1 . . c17401_2l8u 2 4 1 . . 1 1 1 1 C N3 N . . . 2 1 9 9 G N1 N . . . . . 3.0 2.7 3.5 . . . . . A . 1 C N3 . . B . 18 G N1 . 2l8u_ambr001 . 1 RC5 N3 . . . 2l8u_ambr002 . 9 RG3 N1 . . c17401_2l8u 2 5 1 . . 1 1 1 1 C H41 H . . . 2 1 9 9 G O6 O . . . . . 2.0 1.8 2.5 . . . . . A . 1 C H41 . . B . 18 G O6 . 2l8u_ambr001 . 1 RC5 H41 . . . 2l8u_ambr002 . 9 RG3 O6 . . c17401_2l8u 2 6 1 . . 2 1 9 9 G O6 O . . . 1 1 1 1 C N4 N . . . . . 3.0 2.7 3.5 . . . . . B . 18 G O6 . . A . 1 C N4 . 2l8u_ambr002 . 9 RG3 O6 . . . 2l8u_ambr001 . 1 RC5 N4 . . c17401_2l8u 2 7 1 . . 1 1 2 2 C O2 O . . . 2 1 8 8 G N2 N . . . . . 3.0 2.7 3.5 . . . . . A . 2 C O2 . . B . 17 G N2 . 2l8u_ambr001 . 2 RC O2 . . . 2l8u_ambr002 . 8 RG N2 . . c17401_2l8u 2 8 1 . . 1 1 2 2 C N3 N . . . 2 1 8 8 G H1 H . . . . . 2.0 1.8 2.5 . . . . . A . 2 C N3 . . B . 17 G H1 . 2l8u_ambr001 . 2 RC N3 . . . 2l8u_ambr002 . 8 RG H1 . . c17401_2l8u 2 9 1 . . 1 1 2 2 C N3 N . . . 2 1 8 8 G N1 N . . . . . 3.0 2.7 3.5 . . . . . A . 2 C N3 . . B . 17 G N1 . 2l8u_ambr001 . 2 RC N3 . . . 2l8u_ambr002 . 8 RG N1 . . c17401_2l8u 2 10 1 . . 1 1 2 2 C H41 H . . . 2 1 8 8 G O6 O . . . . . 2.0 1.8 2.5 . . . . . A . 2 C H41 . . B . 17 G O6 . 2l8u_ambr001 . 2 RC H41 . . . 2l8u_ambr002 . 8 RG O6 . . c17401_2l8u 2 11 1 . . 2 1 8 8 G O6 O . . . 1 1 2 2 C N4 N . . . . . 3.0 2.7 3.5 . . . . . B . 17 G O6 . . A . 2 C N4 . 2l8u_ambr002 . 8 RG O6 . . . 2l8u_ambr001 . 2 RC N4 . . c17401_2l8u 2 12 1 . . 1 1 3 3 G N2 N . . . 2 1 7 7 C O2 O . . . . . 3.0 2.7 3.5 . . . . . A . 3 G N2 . . B . 16 C O2 . 2l8u_ambr001 . 3 RG N2 . . . 2l8u_ambr002 . 7 RC O2 . . c17401_2l8u 2 13 1 . . 1 1 3 3 G H1 H . . . 2 1 7 7 C N3 N . . . . . 2.0 1.8 2.5 . . . . . A . 3 G H1 . . B . 16 C N3 . 2l8u_ambr001 . 3 RG H1 . . . 2l8u_ambr002 . 7 RC N3 . . c17401_2l8u 2 14 1 . . 2 1 7 7 C N3 N . . . 1 1 3 3 G N1 N . . . . . 3.0 2.7 3.5 . . . . . B . 16 C N3 . . A . 3 G N1 . 2l8u_ambr002 . 7 RC N3 . . . 2l8u_ambr001 . 3 RG N1 . . c17401_2l8u 2 15 1 . . 1 1 3 3 G O6 O . . . 2 1 7 7 C H41 H . . . . . 2.0 1.8 2.5 . . . . . A . 3 G O6 . . B . 16 C H41 . 2l8u_ambr001 . 3 RG O6 . . . 2l8u_ambr002 . 7 RC H41 . . c17401_2l8u 2 16 1 . . 1 1 3 3 G O6 O . . . 2 1 7 7 C N4 N . . . . . 3.0 2.7 3.5 . . . . . A . 3 G O6 . . B . 16 C N4 . 2l8u_ambr001 . 3 RG O6 . . . 2l8u_ambr002 . 7 RC N4 . . c17401_2l8u 2 17 1 . . 1 1 4 4 C O2 O . . . 2 1 6 6 G H21 H . . . . . 2.0 1.8 2.5 . . . . . A . 4 C O2 . . B . 15 G H21 . 2l8u_ambr001 . 4 RC O2 . . . 2l8u_ambr002 . 6 RG H21 . . c17401_2l8u 2 18 1 . . 1 1 4 4 C O2 O . . . 2 1 6 6 G N2 N . . . . . 3.0 2.7 3.5 . . . . . A . 4 C O2 . . B . 15 G N2 . 2l8u_ambr001 . 4 RC O2 . . . 2l8u_ambr002 . 6 RG N2 . . c17401_2l8u 2 19 1 . . 1 1 4 4 C N3 N . . . 2 1 6 6 G H1 H . . . . . 2.0 1.8 2.5 . . . . . A . 4 C N3 . . B . 15 G H1 . 2l8u_ambr001 . 4 RC N3 . . . 2l8u_ambr002 . 6 RG H1 . . c17401_2l8u 2 20 1 . . 1 1 4 4 C N3 N . . . 2 1 6 6 G N1 N . . . . . 3.0 2.7 3.5 . . . . . A . 4 C N3 . . B . 15 G N1 . 2l8u_ambr001 . 4 RC N3 . . . 2l8u_ambr002 . 6 RG N1 . . c17401_2l8u 2 21 1 . . 1 1 4 4 C H41 H . . . 2 1 6 6 G O6 O . . . . . 2.0 1.8 2.5 . . . . . A . 4 C H41 . . B . 15 G O6 . 2l8u_ambr001 . 4 RC H41 . . . 2l8u_ambr002 . 6 RG O6 . . c17401_2l8u 2 22 1 . . 2 1 6 6 G O6 O . . . 1 1 4 4 C N4 N . . . . . 3.0 2.7 3.5 . . . . . B . 15 G O6 . . A . 4 C N4 . 2l8u_ambr002 . 6 RG O6 . . . 2l8u_ambr001 . 4 RC N4 . . c17401_2l8u 2 23 1 . . 1 1 6 6 G N2 N . . . 2 1 4 4 C O2 O . . . . . 3.0 2.7 3.5 . . . . . A . 6 G N2 . . B . 13 C O2 . 2l8u_ambr001 . 6 RG N2 . . . 2l8u_ambr002 . 4 RC O2 . . c17401_2l8u 2 24 1 . . 1 1 6 6 G H1 H . . . 2 1 4 4 C N3 N . . . . . 2.0 1.8 2.5 . . . . . A . 6 G H1 . . B . 13 C N3 . 2l8u_ambr001 . 6 RG H1 . . . 2l8u_ambr002 . 4 RC N3 . . c17401_2l8u 2 25 1 . . 2 1 4 4 C N3 N . . . 1 1 6 6 G N1 N . . . . . 3.0 2.7 3.5 . . . . . B . 13 C N3 . . A . 6 G N1 . 2l8u_ambr002 . 4 RC N3 . . . 2l8u_ambr001 . 6 RG N1 . . c17401_2l8u 2 26 1 . . 1 1 6 6 G O6 O . . . 2 1 4 4 C H41 H . . . . . 2.0 1.8 2.5 . . . . . A . 6 G O6 . . B . 13 C H41 . 2l8u_ambr001 . 6 RG O6 . . . 2l8u_ambr002 . 4 RC H41 . . c17401_2l8u 2 27 1 . . 1 1 6 6 G O6 O . . . 2 1 4 4 C N4 N . . . . . 3.0 2.7 3.5 . . . . . A . 6 G O6 . . B . 13 C N4 . 2l8u_ambr001 . 6 RG O6 . . . 2l8u_ambr002 . 4 RC N4 . . c17401_2l8u 2 28 1 . . 1 1 7 7 C O2 O . . . 2 1 3 3 G H21 H . . . . . 2.0 1.8 2.5 . . . . . A . 7 C O2 . . B . 12 G H21 . 2l8u_ambr001 . 7 RC O2 . . . 2l8u_ambr002 . 3 RG H21 . . c17401_2l8u 2 29 1 . . 1 1 7 7 C O2 O . . . 2 1 3 3 G N2 N . . . . . 3.0 2.7 3.5 . . . . . A . 7 C O2 . . B . 12 G N2 . 2l8u_ambr001 . 7 RC O2 . . . 2l8u_ambr002 . 3 RG N2 . . c17401_2l8u 2 30 1 . . 1 1 7 7 C N3 N . . . 2 1 3 3 G H1 H . . . . . 2.0 1.8 2.5 . . . . . A . 7 C N3 . . B . 12 G H1 . 2l8u_ambr001 . 7 RC N3 . . . 2l8u_ambr002 . 3 RG H1 . . c17401_2l8u 2 31 1 . . 1 1 7 7 C N3 N . . . 2 1 3 3 G N1 N . . . . . 3.0 2.7 3.5 . . . . . A . 7 C N3 . . B . 12 G N1 . 2l8u_ambr001 . 7 RC N3 . . . 2l8u_ambr002 . 3 RG N1 . . c17401_2l8u 2 32 1 . . 1 1 7 7 C H41 H . . . 2 1 3 3 G O6 O . . . . . 2.0 1.8 2.5 . . . . . A . 7 C H41 . . B . 12 G O6 . 2l8u_ambr001 . 7 RC H41 . . . 2l8u_ambr002 . 3 RG O6 . . c17401_2l8u 2 33 1 . . 2 1 3 3 G O6 O . . . 1 1 7 7 C N4 N . . . . . 3.0 2.7 3.5 . . . . . B . 12 G O6 . . A . 7 C N4 . 2l8u_ambr002 . 3 RG O6 . . . 2l8u_ambr001 . 7 RC N4 . . c17401_2l8u 2 34 1 . . 1 1 8 8 G N2 N . . . 2 1 2 2 C O2 O . . . . . 3.0 2.7 3.5 . . . . . A . 8 G N2 . . B . 11 C O2 . 2l8u_ambr001 . 8 RG N2 . . . 2l8u_ambr002 . 2 RC O2 . . c17401_2l8u 2 35 1 . . 1 1 8 8 G H1 H . . . 2 1 2 2 C N3 N . . . . . 2.0 1.8 2.5 . . . . . A . 8 G H1 . . B . 11 C N3 . 2l8u_ambr001 . 8 RG H1 . . . 2l8u_ambr002 . 2 RC N3 . . c17401_2l8u 2 36 1 . . 2 1 2 2 C N3 N . . . 1 1 8 8 G N1 N . . . . . 3.0 2.7 3.5 . . . . . B . 11 C N3 . . A . 8 G N1 . 2l8u_ambr002 . 2 RC N3 . . . 2l8u_ambr001 . 8 RG N1 . . c17401_2l8u 2 37 1 . . 1 1 8 8 G O6 O . . . 2 1 2 2 C H41 H . . . . . 2.0 1.8 2.5 . . . . . A . 8 G O6 . . B . 11 C H41 . 2l8u_ambr001 . 8 RG O6 . . . 2l8u_ambr002 . 2 RC H41 . . c17401_2l8u 2 38 1 . . 1 1 8 8 G O6 O . . . 2 1 2 2 C N4 N . . . . . 3.0 2.7 3.5 . . . . . A . 8 G O6 . . B . 11 C N4 . 2l8u_ambr001 . 8 RG O6 . . . 2l8u_ambr002 . 2 RC N4 . . c17401_2l8u 2 39 1 . . 1 1 9 9 G N2 N . . . 2 1 1 1 C O2 O . . . . . 3.0 2.7 3.5 . . . . . A . 9 G N2 . . B . 10 C O2 . 2l8u_ambr001 . 9 RG3 N2 . . . 2l8u_ambr002 . 1 RC5 O2 . . c17401_2l8u 2 40 1 . . 1 1 9 9 G H1 H . . . 2 1 1 1 C N3 N . . . . . 2.0 1.8 2.5 . . . . . A . 9 G H1 . . B . 10 C N3 . 2l8u_ambr001 . 9 RG3 H1 . . . 2l8u_ambr002 . 1 RC5 N3 . . c17401_2l8u 2 41 1 . . 2 1 1 1 C N3 N . . . 1 1 9 9 G N1 N . . . . . 3.0 2.7 3.5 . . . . . B . 10 C N3 . . A . 9 G N1 . 2l8u_ambr002 . 1 RC5 N3 . . . 2l8u_ambr001 . 9 RG3 N1 . . c17401_2l8u 2 42 1 . . 1 1 9 9 G O6 O . . . 2 1 1 1 C H41 H . . . . . 2.0 1.8 2.5 . . . . . A . 9 G O6 . . B . 10 C H41 . 2l8u_ambr001 . 9 RG3 O6 . . . 2l8u_ambr002 . 1 RC5 H41 . . c17401_2l8u 2 43 1 . . 1 1 9 9 G O6 O . . . 2 1 1 1 C N4 N . . . . . 3.0 2.7 3.5 . . . . . A . 9 G O6 . . B . 10 C N4 . 2l8u_ambr001 . 9 RG3 O6 . . . 2l8u_ambr002 . 1 RC5 N4 . . c17401_2l8u 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 '1 RC5 O2 18 RG3 H21 1.80 2.00' 1 1 1 48 c17401_2l8u 2 2 '1 RC5 O2 18 RG3 N2 2.70 3.00' 6 1 7 49 c17401_2l8u 2 3 '1 RC5 N3 18 RG3 H1 1.80 2.00' 10 1 11 50 c17401_2l8u 2 4 '1 RC5 N3 18 RG3 N1 2.70 3.00' 14 1 15 50 c17401_2l8u 2 5 '1 RC5 H41 18 RG3 O6 1.80 2.00' 18 1 19 50 c17401_2l8u 2 6 '1 RC5 N4 18 RG3 O6 2.70 3.00' 22 1 23 50 c17401_2l8u 2 7 '2 RC O2 17 RG N2 2.70 3.00' 26 1 27 50 c17401_2l8u 2 8 '2 RC N3 17 RG H1 1.80 2.00' 30 1 31 50 c17401_2l8u 2 9 '2 RC N3 17 RG N1 2.70 3.00' 34 1 35 50 c17401_2l8u 2 10 '2 RC H41 17 RG O6 1.80 2.00' 38 1 39 50 c17401_2l8u 2 11 '2 RC N4 17 RG O6 2.70 3.00' 42 1 43 50 c17401_2l8u 2 12 '3 RG N2 16 RC O2 2.70 3.00' 46 1 47 50 c17401_2l8u 2 13 '3 RG H1 16 RC N3 1.80 2.00' 50 1 51 50 c17401_2l8u 2 14 '3 RG N1 16 RC N3 2.70 3.00' 54 1 55 50 c17401_2l8u 2 15 '3 RG O6 16 RC H41 1.80 2.00' 58 1 59 50 c17401_2l8u 2 16 '3 RG O6 16 RC N4 2.70 3.00' 62 1 63 50 c17401_2l8u 2 17 '4 RC O2 15 RG H21 1.80 2.00' 66 1 67 50 c17401_2l8u 2 18 '4 RC O2 15 RG N2 2.70 3.00' 70 1 71 50 c17401_2l8u 2 19 '4 RC N3 15 RG H1 1.80 2.00' 74 1 75 50 c17401_2l8u 2 20 '4 RC N3 15 RG N1 2.70 3.00' 78 1 79 50 c17401_2l8u 2 21 '4 RC H41 15 RG O6 1.80 2.00' 82 1 83 50 c17401_2l8u 2 22 '4 RC N4 15 RG O6 2.70 3.00' 86 1 87 50 c17401_2l8u 2 23 '6 RG N2 13 RC O2 2.70 3.00' 90 1 91 50 c17401_2l8u 2 24 '6 RG H1 13 RC N3 1.80 2.00' 94 1 95 50 c17401_2l8u 2 25 '6 RG N1 13 RC N3 2.70 3.00' 98 1 99 50 c17401_2l8u 2 26 '6 RG O6 13 RC H41 1.80 2.00' 102 1 103 50 c17401_2l8u 2 27 '6 RG O6 13 RC N4 2.70 3.00' 106 1 107 50 c17401_2l8u 2 28 '7 RC O2 12 RG H21 1.80 2.00' 110 1 111 50 c17401_2l8u 2 29 '7 RC O2 12 RG N2 2.70 3.00' 114 1 115 50 c17401_2l8u 2 30 '7 RC N3 12 RG H1 1.80 2.00' 118 1 119 50 c17401_2l8u 2 31 '7 RC N3 12 RG N1 2.70 3.00' 122 1 123 50 c17401_2l8u 2 32 '7 RC H41 12 RG O6 1.80 2.00' 126 1 127 50 c17401_2l8u 2 33 '7 RC N4 12 RG O6 2.70 3.00' 130 1 131 50 c17401_2l8u 2 34 '8 RG N2 11 RC O2 2.70 3.00' 134 1 135 50 c17401_2l8u 2 35 '8 RG H1 11 RC N3 1.80 2.00' 138 1 139 50 c17401_2l8u 2 36 '8 RG N1 11 RC N3 2.70 3.00' 142 1 143 50 c17401_2l8u 2 37 '8 RG O6 11 RC H41 1.80 2.00' 146 1 147 50 c17401_2l8u 2 38 '8 RG O6 11 RC N4 2.70 3.00' 150 1 151 50 c17401_2l8u 2 39 '9 RG3 N2 10 RC5 O2 2.70 3.00' 154 1 155 50 c17401_2l8u 2 40 '9 RG3 H1 10 RC5 N3 1.80 2.00' 158 1 159 50 c17401_2l8u 2 41 '9 RG3 N1 10 RC5 N3 2.70 3.00' 162 1 163 50 c17401_2l8u 2 42 '9 RG3 O6 10 RC5 H41 1.80 2.00' 166 1 167 50 c17401_2l8u 2 43 '9 RG3 O6 10 RC5 N4 2.70 3.00' 170 1 171 50 c17401_2l8u 2 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c17401_2l8u _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment "*HEADER RNA 25-JAN-11 2L8U *TITLE NMR SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION OF R(CCGCUGCGG)2 *TITLE 2 REVEAL A DYNAMIC UU INTERNAL LOOP FOUND IN MYOTONIC DYSTROPHY TYPE 1 *TITLE 3 - UU PAIR WITH ONE HYDROGEN BOND PAIR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3'); *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS UU MISMATCH, RNA *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR R.PARKESH, M.A.FOUNTAIN, M.D.DISNEY *REVDAT 1 23-FEB-11 2L8U 0" save_