data_30971 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30971 _Entry.Title ; Solution structure of 7SK stem-loop 1 with HEXIM Arginine Rich Motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-02 _Entry.Accession_date 2021-12-02 _Entry.Last_release_date 2021-12-30 _Entry.Original_release_date 2021-12-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 V. Pham V. V. . . 30971 2 M. Gao M. . . . 30971 3 V. D'Souza V. M. . . 30971 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 7SK . 30971 HIV-1 . 30971 TRANSLATION . 30971 Tat . 30971 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30971 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 123 30971 '15N chemical shifts' 50 30971 '1H chemical shifts' 230 30971 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-09-08 . original BMRB . 30971 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7T1N 'BMRB Entry Tracking System' 30971 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30971 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35970937 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _Citation.Journal_CSD 0353 _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 819 _Citation.Page_last 819 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 V. Pham V. V. . . 30971 1 2 M. Gao M. . . . 30971 1 3 J. Meagher J. L. . . 30971 1 4 J. Smith J. L. . . 30971 1 5 V. D'Souza V. M. . . 30971 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30971 _Assembly.ID 1 _Assembly.Name 'HEXIM Arginine Rich Motif/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 30971 1 2 unit_2 2 $entity_2 B B yes . . . . . . 30971 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30971 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGAUCUGUCACCCCAUUGA UCGCCAGUGGCUGAUCUGGC UGGCUAGGCGGGUCCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17986.635 _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 24 G . 30971 1 2 25 G . 30971 1 3 26 G . 30971 1 4 27 A . 30971 1 5 28 U . 30971 1 6 29 C . 30971 1 7 30 U . 30971 1 8 31 G . 30971 1 9 32 U . 30971 1 10 33 C . 30971 1 11 34 A . 30971 1 12 35 C . 30971 1 13 36 C . 30971 1 14 37 C . 30971 1 15 38 C . 30971 1 16 39 A . 30971 1 17 40 U . 30971 1 18 41 U . 30971 1 19 42 G . 30971 1 20 43 A . 30971 1 21 44 U . 30971 1 22 45 C . 30971 1 23 46 G . 30971 1 24 47 C . 30971 1 25 48 C . 30971 1 26 49 A . 30971 1 27 50 G . 30971 1 28 51 U . 30971 1 29 52 G . 30971 1 30 53 G . 30971 1 31 54 C . 30971 1 32 55 U . 30971 1 33 56 G . 30971 1 34 57 A . 30971 1 35 58 U . 30971 1 36 59 C . 30971 1 37 60 U . 30971 1 38 61 G . 30971 1 39 62 G . 30971 1 40 63 C . 30971 1 41 64 U . 30971 1 42 65 G . 30971 1 43 66 G . 30971 1 44 67 C . 30971 1 45 68 U . 30971 1 46 69 A . 30971 1 47 70 G . 30971 1 48 71 G . 30971 1 49 72 C . 30971 1 50 73 G . 30971 1 51 74 G . 30971 1 52 75 G . 30971 1 53 76 U . 30971 1 54 77 C . 30971 1 55 78 C . 30971 1 56 79 C . 30971 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 30971 1 . G 2 2 30971 1 . G 3 3 30971 1 . A 4 4 30971 1 . U 5 5 30971 1 . C 6 6 30971 1 . U 7 7 30971 1 . G 8 8 30971 1 . U 9 9 30971 1 . C 10 10 30971 1 . A 11 11 30971 1 . C 12 12 30971 1 . C 13 13 30971 1 . C 14 14 30971 1 . C 15 15 30971 1 . A 16 16 30971 1 . U 17 17 30971 1 . U 18 18 30971 1 . G 19 19 30971 1 . A 20 20 30971 1 . U 21 21 30971 1 . C 22 22 30971 1 . G 23 23 30971 1 . C 24 24 30971 1 . C 25 25 30971 1 . A 26 26 30971 1 . G 27 27 30971 1 . U 28 28 30971 1 . G 29 29 30971 1 . G 30 30 30971 1 . C 31 31 30971 1 . U 32 32 30971 1 . G 33 33 30971 1 . A 34 34 30971 1 . U 35 35 30971 1 . C 36 36 30971 1 . U 37 37 30971 1 . G 38 38 30971 1 . G 39 39 30971 1 . C 40 40 30971 1 . U 41 41 30971 1 . G 42 42 30971 1 . G 43 43 30971 1 . C 44 44 30971 1 . U 45 45 30971 1 . A 46 46 30971 1 . G 47 47 30971 1 . G 48 48 30971 1 . C 49 49 30971 1 . G 50 50 30971 1 . G 51 51 30971 1 . G 52 52 30971 1 . U 53 53 30971 1 . C 54 54 30971 1 . C 55 55 30971 1 . C 56 56 30971 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30971 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GISYGRQLGKKKHRRRAHQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2285.681 _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 1 141 GLY . 30971 2 2 142 ILE . 30971 2 3 143 SER . 30971 2 4 144 TYR . 30971 2 5 145 GLY . 30971 2 6 146 ARG . 30971 2 7 147 GLN . 30971 2 8 148 LEU . 30971 2 9 149 GLY . 30971 2 10 150 LYS . 30971 2 11 151 LYS . 30971 2 12 152 LYS . 30971 2 13 153 HIS . 30971 2 14 154 ARG . 30971 2 15 155 ARG . 30971 2 16 156 ARG . 30971 2 17 157 ALA . 30971 2 18 158 HIS . 30971 2 19 159 GLN . 30971 2 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 . GLY 1 1 30971 2 . ILE 2 2 30971 2 . SER 3 3 30971 2 . TYR 4 4 30971 2 . GLY 5 5 30971 2 . ARG 6 6 30971 2 . GLN 7 7 30971 2 . LEU 8 8 30971 2 . GLY 9 9 30971 2 . LYS 10 10 30971 2 . LYS 11 11 30971 2 . LYS 12 12 30971 2 . HIS 13 13 30971 2 . ARG 14 14 30971 2 . ARG 15 15 30971 2 . ARG 16 16 30971 2 . ALA 17 17 30971 2 . HIS 18 18 30971 2 . GLN 19 19 30971 2 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 30971 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30971 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30971 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 30971 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30971 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30971 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30971 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM HEXIM, 0.5 mM 7SK, 100% D2O' _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 HEXIM 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 1 2 7SK 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 1 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30971 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM HEXIM, 0.5 mM 7SK, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 HEXIM 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 2 2 7SK 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 2 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30971 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] HEXIM, 0.5 mM 7SK, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 HEXIM '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 3 2 7SK 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 3 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30971 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM HEXIM, 0.5 mM [U-100% 13C; U-100% 15N] 7SK, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 HEXIM 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 4 2 7SK '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 4 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 4 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30971 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM HEXIM, 0.5 mM [U-100% 13C; U-100% 15N] 7SK, 100% D2O' _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 HEXIM 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 5 2 7SK '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 5 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 5 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30971 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] HEXIM, 0.5 mM 7SK, 100% D2O' _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 HEXIM '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM 0.2 . . . 30971 6 2 7SK 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM 0.2 . . . 30971 6 3 NaCl 'natural abundance' . . . . . . 70 . . mM . . . . 30971 6 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 30971 6 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 30971 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 30971 1 pH 5.6 . pH 30971 1 pressure 100000 . Pa 30971 1 temperature 298 . K 30971 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30971 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30971 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30971 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30971 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30971 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30971 2 'peak picking' . 30971 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30971 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30971 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30971 3 processing . 30971 3 'structure calculation' . 30971 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30971 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30971 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30971 4 'structure calculation' . 30971 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30971 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30971 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 700 . . . 30971 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 30971 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30971 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30971 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . Hz 15350608.8 internal direct 0.25144953 . . . . . 30971 1 H 1 DSS 'methyl protons' . . . . Hz 100000000 internal direct 1 . . . . . 30971 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 10132911.8 external direct 0.101329118 . . . . . 30971 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30971 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _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 1H-1H NOESY' . . . 30971 1 2 '2D 1H-1H NOESY' . . . 30971 1 3 '2D 1H-13C HSQC' . . . 30971 1 4 '2D 1H-13C HSQC' . . . 30971 1 5 '2D 1H-13C HSQC aliphatic' . . . 30971 1 6 '2D 1H-13C HSQC aliphatic' . . . 30971 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.7173 0.0000 . 1 . . . . A 24 G H1' . 30971 1 2 . 1 . 1 1 1 G H8 H 1 7.9993 0.0000 . 1 . . . . A 24 G H8 . 30971 1 3 . 1 . 1 1 1 G C1' C 13 92.5335 0.0000 . 1 . . . . A 24 G C1' . 30971 1 4 . 1 . 1 1 1 G C8 C 13 139.8713 0.0000 . 1 . . . . A 24 G C8 . 30971 1 5 . 1 . 1 2 2 G H1 H 1 12.5965 0.0000 . 1 . . . . A 25 G H1 . 30971 1 6 . 1 . 1 2 2 G H1' H 1 5.8777 0.0000 . 1 . . . . A 25 G H1' . 30971 1 7 . 1 . 1 2 2 G H8 H 1 7.4482 0.0000 . 1 . . . . A 25 G H8 . 30971 1 8 . 1 . 1 2 2 G C1' C 13 92.7075 0.0000 . 1 . . . . A 25 G C1' . 30971 1 9 . 1 . 1 2 2 G C8 C 13 137.4028 0.0000 . 1 . . . . A 25 G C8 . 30971 1 10 . 1 . 1 2 2 G N1 N 15 153.0360 0.0000 . 1 . . . . A 25 G N1 . 30971 1 11 . 1 . 1 3 3 G H1 H 1 12.2426 0.0000 . 1 . . . . A 26 G H1 . 30971 1 12 . 1 . 1 3 3 G H1' H 1 5.7126 0.0000 . 1 . . . . A 26 G H1' . 30971 1 13 . 1 . 1 3 3 G H8 H 1 7.1232 0.0000 . 1 . . . . A 26 G H8 . 30971 1 14 . 1 . 1 3 3 G C1' C 13 92.5361 0.0000 . 1 . . . . A 26 G C1' . 30971 1 15 . 1 . 1 3 3 G C8 C 13 137.2789 0.0000 . 1 . . . . A 26 G C8 . 30971 1 16 . 1 . 1 3 3 G N1 N 15 146.8920 0.0000 . 1 . . . . A 26 G N1 . 30971 1 17 . 1 . 1 4 4 A H1' H 1 5.8786 0.0000 . 1 . . . . A 27 A H1' . 30971 1 18 . 1 . 1 4 4 A H2 H 1 7.8043 0.0000 . 1 . . . . A 27 A H2 . 30971 1 19 . 1 . 1 4 4 A H8 H 1 7.5379 0.0000 . 1 . . . . A 27 A H8 . 30971 1 20 . 1 . 1 4 4 A C1' C 13 94.9913 0.0000 . 1 . . . . A 27 A C1' . 30971 1 21 . 1 . 1 4 4 A C2 C 13 144.9497 0.0000 . 1 . . . . A 27 A C2 . 30971 1 22 . 1 . 1 4 4 A C8 C 13 132.7940 0.0000 . 1 . . . . A 27 A C8 . 30971 1 23 . 1 . 1 5 5 U H1' H 1 5.2437 0.0000 . 1 . . . . A 28 U H1' . 30971 1 24 . 1 . 1 5 5 U H3 H 1 11.7864 0.0000 . 1 . . . . A 28 U H3 . 30971 1 25 . 1 . 1 5 5 U H5 H 1 5.2937 0.0000 . 1 . . . . A 28 U H5 . 30971 1 26 . 1 . 1 5 5 U H6 H 1 7.4430 0.0000 . 1 . . . . A 28 U H6 . 30971 1 27 . 1 . 1 5 5 U C1' C 13 88.6915 0.0000 . 1 . . . . A 28 U C1' . 30971 1 28 . 1 . 1 5 5 U C5 C 13 102.0173 0.0000 . 1 . . . . A 28 U C5 . 30971 1 29 . 1 . 1 5 5 U C6 C 13 143.7365 0.0000 . 1 . . . . A 28 U C6 . 30971 1 30 . 1 . 1 5 5 U N3 N 15 166.3485 0.0000 . 1 . . . . A 28 U N3 . 30971 1 31 . 1 . 1 6 6 C H1' H 1 5.4260 0.0000 . 1 . . . . A 29 C H1' . 30971 1 32 . 1 . 1 6 6 C H5 H 1 5.4676 0.0000 . 1 . . . . A 29 C H5 . 30971 1 33 . 1 . 1 6 6 C H6 H 1 7.7073 0.0000 . 1 . . . . A 29 C H6 . 30971 1 34 . 1 . 1 6 6 C N4 N 15 96.3774 0.0000 . 1 . . . . A 29 C N4 . 30971 1 35 . 1 . 1 7 7 U H1' H 1 5.4922 0.0000 . 1 . . . . A 30 U H1' . 30971 1 36 . 1 . 1 7 7 U H5 H 1 5.4631 0.0000 . 1 . . . . A 30 U H5 . 30971 1 37 . 1 . 1 7 7 U H6 H 1 7.5501 0.0000 . 1 . . . . A 30 U H6 . 30971 1 38 . 1 . 1 7 7 U C1' C 13 90.3352 0.0000 . 1 . . . . A 30 U C1' . 30971 1 39 . 1 . 1 7 7 U C5 C 13 102.9702 0.0000 . 1 . . . . A 30 U C5 . 30971 1 40 . 1 . 1 7 7 U C6 C 13 145.3438 0.0000 . 1 . . . . A 30 U C6 . 30971 1 41 . 1 . 1 7 7 U N3 N 15 157.2942 0.0000 . 1 . . . . A 30 U N3 . 30971 1 42 . 1 . 1 8 8 G H1 H 1 12.8239 0.0000 . 1 . . . . A 31 G H1 . 30971 1 43 . 1 . 1 8 8 G H1' H 1 5.6318 0.0000 . 1 . . . . A 31 G H1' . 30971 1 44 . 1 . 1 8 8 G H8 H 1 7.7678 0.0000 . 1 . . . . A 31 G H8 . 30971 1 45 . 1 . 1 8 8 G C1' C 13 92.5969 0.0000 . 1 . . . . A 31 G C1' . 30971 1 46 . 1 . 1 8 8 G C8 C 13 137.9596 0.0000 . 1 . . . . A 31 G C8 . 30971 1 47 . 1 . 1 8 8 G N1 N 15 147.9686 0.0000 . 1 . . . . A 31 G N1 . 30971 1 48 . 1 . 1 9 9 U H1' H 1 5.3727 0.0000 . 1 . . . . A 32 U H1' . 30971 1 49 . 1 . 1 9 9 U H3 H 1 11.9831 0.0000 . 1 . . . . A 32 U H3 . 30971 1 50 . 1 . 1 9 9 U H5 H 1 5.3783 0.0000 . 1 . . . . A 32 U H5 . 30971 1 51 . 1 . 1 9 9 U H6 H 1 7.5502 0.0000 . 1 . . . . A 32 U H6 . 30971 1 52 . 1 . 1 9 9 U C6 C 13 144.8663 0.0000 . 1 . . . . A 32 U C6 . 30971 1 53 . 1 . 1 9 9 U N3 N 15 164.0850 0.0000 . 1 . . . . A 32 U N3 . 30971 1 54 . 1 . 1 10 10 C H1' H 1 5.3847 0.0000 . 1 . . . . A 33 C H1' . 30971 1 55 . 1 . 1 10 10 C H5 H 1 5.3777 0.0000 . 1 . . . . A 33 C H5 . 30971 1 56 . 1 . 1 10 10 C H6 H 1 7.8569 0.0000 . 1 . . . . A 33 C H6 . 30971 1 57 . 1 . 1 10 10 C N4 N 15 96.2530 0.0000 . 1 . . . . A 33 C N4 . 30971 1 58 . 1 . 1 11 11 A H1' H 1 5.7944 0.0000 . 1 . . . . A 34 A H1' . 30971 1 59 . 1 . 1 11 11 A H2 H 1 8.0544 0.0000 . 1 . . . . A 34 A H2 . 30971 1 60 . 1 . 1 11 11 A H8 H 1 7.8990 0.0000 . 1 . . . . A 34 A H8 . 30971 1 61 . 1 . 1 11 11 A C1' C 13 92.5976 0.0000 . 1 . . . . A 34 A C1' . 30971 1 62 . 1 . 1 11 11 A C2 C 13 154.4438 0.0000 . 1 . . . . A 34 A C2 . 30971 1 63 . 1 . 1 11 11 A C8 C 13 135.4403 0.0000 . 1 . . . . A 34 A C8 . 30971 1 64 . 1 . 1 12 12 C H1' H 1 5.0528 0.0000 . 1 . . . . A 35 C H1' . 30971 1 65 . 1 . 1 12 12 C H5 H 1 5.1261 0.0000 . 1 . . . . A 35 C H5 . 30971 1 66 . 1 . 1 12 12 C H6 H 1 7.3232 0.0000 . 1 . . . . A 35 C H6 . 30971 1 67 . 1 . 1 12 12 C N4 N 15 96.2133 0.0000 . 1 . . . . A 35 C N4 . 30971 1 68 . 1 . 1 13 13 C H1' H 1 5.4453 0.0000 . 1 . . . . A 36 C H1' . 30971 1 69 . 1 . 1 13 13 C H5 H 1 5.4592 0.0000 . 1 . . . . A 36 C H5 . 30971 1 70 . 1 . 1 13 13 C H6 H 1 7.2981 0.0000 . 1 . . . . A 36 C H6 . 30971 1 71 . 1 . 1 13 13 C N4 N 15 95.1127 0.0000 . 1 . . . . A 36 C N4 . 30971 1 72 . 1 . 1 14 14 C H1' H 1 5.4178 0.0000 . 1 . . . . A 37 C H1' . 30971 1 73 . 1 . 1 14 14 C H5 H 1 5.5375 0.0000 . 1 . . . . A 37 C H5 . 30971 1 74 . 1 . 1 14 14 C H6 H 1 7.7289 0.0000 . 1 . . . . A 37 C H6 . 30971 1 75 . 1 . 1 14 14 C N4 N 15 95.8749 0.0000 . 1 . . . . A 37 C N4 . 30971 1 76 . 1 . 1 15 15 C H1' H 1 5.1903 0.0000 . 1 . . . . A 38 C H1' . 30971 1 77 . 1 . 1 15 15 C H5 H 1 5.3886 0.0000 . 1 . . . . A 38 C H5 . 30971 1 78 . 1 . 1 15 15 C H6 H 1 7.5392 0.0000 . 1 . . . . A 38 C H6 . 30971 1 79 . 1 . 1 15 15 C N4 N 15 96.1170 0.0000 . 1 . . . . A 38 C N4 . 30971 1 80 . 1 . 1 16 16 A H1' H 1 5.7974 0.0000 . 1 . . . . A 39 A H1' . 30971 1 81 . 1 . 1 16 16 A H2 H 1 7.2066 0.0000 . 1 . . . . A 39 A H2 . 30971 1 82 . 1 . 1 16 16 A H8 H 1 7.8448 0.0000 . 1 . . . . A 39 A H8 . 30971 1 83 . 1 . 1 16 16 A C1' C 13 93.5052 0.0000 . 1 . . . . A 39 A C1' . 30971 1 84 . 1 . 1 16 16 A C2 C 13 152.7546 0.0000 . 1 . . . . A 39 A C2 . 30971 1 85 . 1 . 1 16 16 A C8 C 13 133.7863 0.0000 . 1 . . . . A 39 A C8 . 30971 1 86 . 1 . 1 17 17 U H1' H 1 5.4648 0.0000 . 1 . . . . A 40 U H1' . 30971 1 87 . 1 . 1 17 17 U H3 H 1 11.9166 0.0000 . 1 . . . . A 40 U H3 . 30971 1 88 . 1 . 1 17 17 U H5 H 1 5.7147 0.0000 . 1 . . . . A 40 U H5 . 30971 1 89 . 1 . 1 17 17 U H6 H 1 7.6154 0.0000 . 1 . . . . A 40 U H6 . 30971 1 90 . 1 . 1 17 17 U C1' C 13 91.0371 0.0000 . 1 . . . . A 40 U C1' . 30971 1 91 . 1 . 1 17 17 U C5 C 13 103.5267 0.0000 . 1 . . . . A 40 U C5 . 30971 1 92 . 1 . 1 17 17 U N3 N 15 164.0403 0.0000 . 1 . . . . A 40 U N3 . 30971 1 93 . 1 . 1 18 18 U H1' H 1 5.6673 0.0000 . 1 . . . . A 41 U H1' . 30971 1 94 . 1 . 1 18 18 U H5 H 1 5.3414 0.0000 . 1 . . . . A 41 U H5 . 30971 1 95 . 1 . 1 18 18 U H6 H 1 7.7722 0.0000 . 1 . . . . A 41 U H6 . 30971 1 96 . 1 . 1 18 18 U C1' C 13 90.2760 0.0000 . 1 . . . . A 41 U C1' . 30971 1 97 . 1 . 1 18 18 U C5 C 13 101.9973 0.0000 . 1 . . . . A 41 U C5 . 30971 1 98 . 1 . 1 18 18 U C6 C 13 145.7185 0.0000 . 1 . . . . A 41 U C6 . 30971 1 99 . 1 . 1 19 19 G H1 H 1 12.4244 0.0000 . 1 . . . . A 42 G H1 . 30971 1 100 . 1 . 1 19 19 G H1' H 1 5.7421 0.0000 . 1 . . . . A 42 G H1' . 30971 1 101 . 1 . 1 19 19 G H8 H 1 7.6479 0.0000 . 1 . . . . A 42 G H8 . 30971 1 102 . 1 . 1 19 19 G C1' C 13 92.5079 0.0000 . 1 . . . . A 42 G C1' . 30971 1 103 . 1 . 1 19 19 G C8 C 13 140.7766 0.0000 . 1 . . . . A 42 G C8 . 30971 1 104 . 1 . 1 19 19 G N1 N 15 146.0199 0.0000 . 1 . . . . A 42 G N1 . 30971 1 105 . 1 . 1 20 20 A H1' H 1 5.7891 0.0000 . 1 . . . . A 43 A H1' . 30971 1 106 . 1 . 1 20 20 A H2 H 1 7.9273 0.0000 . 1 . . . . A 43 A H2 . 30971 1 107 . 1 . 1 20 20 A H8 H 1 7.6644 0.0000 . 1 . . . . A 43 A H8 . 30971 1 108 . 1 . 1 20 20 A C1' C 13 93.9593 0.0000 . 1 . . . . A 43 A C1' . 30971 1 109 . 1 . 1 20 20 A C2 C 13 144.7408 0.0000 . 1 . . . . A 43 A C2 . 30971 1 110 . 1 . 1 20 20 A C8 C 13 133.5291 0.0000 . 1 . . . . A 43 A C8 . 30971 1 111 . 1 . 1 21 21 U H1' H 1 5.4436 0.0000 . 1 . . . . A 44 U H1' . 30971 1 112 . 1 . 1 21 21 U H3 H 1 14.0716 0.0000 . 1 . . . . A 44 U H3 . 30971 1 113 . 1 . 1 21 21 U H5 H 1 5.6321 0.0000 . 1 . . . . A 44 U H5 . 30971 1 114 . 1 . 1 21 21 U H6 H 1 7.5865 0.0000 . 1 . . . . A 44 U H6 . 30971 1 115 . 1 . 1 21 21 U C1' C 13 90.9556 0.0000 . 1 . . . . A 44 U C1' . 30971 1 116 . 1 . 1 21 21 U C5 C 13 103.2467 0.0000 . 1 . . . . A 44 U C5 . 30971 1 117 . 1 . 1 21 21 U C6 C 13 145.3157 0.0000 . 1 . . . . A 44 U C6 . 30971 1 118 . 1 . 1 22 22 C H1' H 1 5.4102 0.0000 . 1 . . . . A 45 C H1' . 30971 1 119 . 1 . 1 22 22 C H5 H 1 5.3762 0.0000 . 1 . . . . A 45 C H5 . 30971 1 120 . 1 . 1 22 22 C H6 H 1 7.3389 0.0000 . 1 . . . . A 45 C H6 . 30971 1 121 . 1 . 1 22 22 C N4 N 15 95.9925 0.0000 . 1 . . . . A 45 C N4 . 30971 1 122 . 1 . 1 23 23 G H1 H 1 12.5658 0.0000 . 1 . . . . A 46 G H1 . 30971 1 123 . 1 . 1 23 23 G H1' H 1 5.5411 0.0000 . 1 . . . . A 46 G H1' . 30971 1 124 . 1 . 1 23 23 G H8 H 1 7.3781 0.0000 . 1 . . . . A 46 G H8 . 30971 1 125 . 1 . 1 23 23 G C1' C 13 92.9618 0.0000 . 1 . . . . A 46 G C1' . 30971 1 126 . 1 . 1 23 23 G C8 C 13 138.0246 0.0000 . 1 . . . . A 46 G C8 . 30971 1 127 . 1 . 1 23 23 G N1 N 15 154.3950 0.0000 . 1 . . . . A 46 G N1 . 30971 1 128 . 1 . 1 24 24 C H1' H 1 5.2634 0.0000 . 1 . . . . A 47 C H1' . 30971 1 129 . 1 . 1 24 24 C H5 H 1 5.0456 0.0000 . 1 . . . . A 47 C H5 . 30971 1 130 . 1 . 1 24 24 C H6 H 1 7.5360 0.0000 . 1 . . . . A 47 C H6 . 30971 1 131 . 1 . 1 24 24 C N4 N 15 96.4142 0.0000 . 1 . . . . A 47 C N4 . 30971 1 132 . 1 . 1 25 25 C H1' H 1 5.4493 0.0000 . 1 . . . . A 48 C H1' . 30971 1 133 . 1 . 1 25 25 C H5 H 1 5.4587 0.0000 . 1 . . . . A 48 C H5 . 30971 1 134 . 1 . 1 25 25 C H6 H 1 7.3961 0.0000 . 1 . . . . A 48 C H6 . 30971 1 135 . 1 . 1 25 25 C N4 N 15 97.0491 0.0000 . 1 . . . . A 48 C N4 . 30971 1 136 . 1 . 1 26 26 A H1' H 1 5.7296 0.0000 . 1 . . . . A 49 A H1' . 30971 1 137 . 1 . 1 26 26 A H2 H 1 7.5752 0.0000 . 1 . . . . A 49 A H2 . 30971 1 138 . 1 . 1 26 26 A H8 H 1 8.0224 0.0000 . 1 . . . . A 49 A H8 . 30971 1 139 . 1 . 1 26 26 A C1' C 13 89.5842 0.0000 . 1 . . . . A 49 A C1' . 30971 1 140 . 1 . 1 26 26 A C2 C 13 152.7578 0.0000 . 1 . . . . A 49 A C2 . 30971 1 141 . 1 . 1 26 26 A C8 C 13 139.9152 0.0000 . 1 . . . . A 49 A C8 . 30971 1 142 . 1 . 1 27 27 G H1' H 1 5.1999 0.0000 . 1 . . . . A 50 G H1' . 30971 1 143 . 1 . 1 27 27 G H8 H 1 7.7167 0.0000 . 1 . . . . A 50 G H8 . 30971 1 144 . 1 . 1 27 27 G C1' C 13 92.9768 0.0000 . 1 . . . . A 50 G C1' . 30971 1 145 . 1 . 1 27 27 G C8 C 13 140.8064 0.0000 . 1 . . . . A 50 G C8 . 30971 1 146 . 1 . 1 28 28 U H1' H 1 5.9549 0.0000 . 1 . . . . A 51 U H1' . 30971 1 147 . 1 . 1 28 28 U H5 H 1 5.8413 0.0000 . 1 . . . . A 51 U H5 . 30971 1 148 . 1 . 1 28 28 U H6 H 1 7.6918 0.0000 . 1 . . . . A 51 U H6 . 30971 1 149 . 1 . 1 28 28 U C1' C 13 88.8312 0.0000 . 1 . . . . A 51 U C1' . 30971 1 150 . 1 . 1 28 28 U C5 C 13 103.8668 0.0000 . 1 . . . . A 51 U C5 . 30971 1 151 . 1 . 1 28 28 U C6 C 13 145.4169 0.0000 . 1 . . . . A 51 U C6 . 30971 1 152 . 1 . 1 29 29 G H1 H 1 12.6184 0.0000 . 1 . . . . A 60 G H1 . 30971 1 153 . 1 . 1 29 29 G H1' H 1 5.8046 0.0000 . 1 . . . . A 60 G H1' . 30971 1 154 . 1 . 1 29 29 G H8 H 1 7.9354 0.0000 . 1 . . . . A 60 G H8 . 30971 1 155 . 1 . 1 29 29 G C1' C 13 92.7706 0.0000 . 1 . . . . A 60 G C1' . 30971 1 156 . 1 . 1 29 29 G C8 C 13 138.8824 0.0000 . 1 . . . . A 60 G C8 . 30971 1 157 . 1 . 1 29 29 G N1 N 15 153.0618 0.0000 . 1 . . . . A 60 G N1 . 30971 1 158 . 1 . 1 30 30 G H1 H 1 12.9883 0.0000 . 1 . . . . A 61 G H1 . 30971 1 159 . 1 . 1 30 30 G H1' H 1 5.6618 0.0000 . 1 . . . . A 61 G H1' . 30971 1 160 . 1 . 1 30 30 G H8 H 1 7.4579 0.0000 . 1 . . . . A 61 G H8 . 30971 1 161 . 1 . 1 30 30 G C1' C 13 92.5133 0.0000 . 1 . . . . A 61 G C1' . 30971 1 162 . 1 . 1 30 30 G C8 C 13 137.3970 0.0000 . 1 . . . . A 61 G C8 . 30971 1 163 . 1 . 1 30 30 G N1 N 15 157.8670 0.0000 . 1 . . . . A 61 G N1 . 30971 1 164 . 1 . 1 31 31 C H1' H 1 5.6427 0.0000 . 1 . . . . A 62 C H1' . 30971 1 165 . 1 . 1 31 31 C H5 H 1 4.8097 0.0000 . 1 . . . . A 62 C H5 . 30971 1 166 . 1 . 1 31 31 C H6 H 1 7.4452 0.0000 . 1 . . . . A 62 C H6 . 30971 1 167 . 1 . 1 31 31 C N4 N 15 95.7644 0.0000 . 1 . . . . A 62 C N4 . 30971 1 168 . 1 . 1 32 32 U H1' H 1 5.6188 0.0000 . 1 . . . . A 63 U H1' . 30971 1 169 . 1 . 1 32 32 U H3 H 1 12.8962 0.0000 . 1 . . . . A 63 U H3 . 30971 1 170 . 1 . 1 32 32 U H5 H 1 5.7842 0.0000 . 1 . . . . A 63 U H5 . 30971 1 171 . 1 . 1 32 32 U H6 H 1 7.6267 0.0000 . 1 . . . . A 63 U H6 . 30971 1 172 . 1 . 1 32 32 U C1' C 13 90.0850 0.0000 . 1 . . . . A 63 U C1' . 30971 1 173 . 1 . 1 32 32 U C5 C 13 103.3598 0.0000 . 1 . . . . A 63 U C5 . 30971 1 174 . 1 . 1 32 32 U C6 C 13 145.3152 0.0000 . 1 . . . . A 63 U C6 . 30971 1 175 . 1 . 1 32 32 U N3 N 15 157.0072 0.0000 . 1 . . . . A 63 U N3 . 30971 1 176 . 1 . 1 33 33 G H1 H 1 12.4657 0.0000 . 1 . . . . A 64 G H1 . 30971 1 177 . 1 . 1 33 33 G H1' H 1 5.6777 0.0000 . 1 . . . . A 64 G H1' . 30971 1 178 . 1 . 1 33 33 G H8 H 1 7.7700 0.0000 . 1 . . . . A 64 G H8 . 30971 1 179 . 1 . 1 33 33 G C1' C 13 92.6270 0.0000 . 1 . . . . A 64 G C1' . 30971 1 180 . 1 . 1 33 33 G C8 C 13 140.9614 0.0000 . 1 . . . . A 64 G C8 . 30971 1 181 . 1 . 1 33 33 G N1 N 15 149.5463 0.0000 . 1 . . . . A 64 G N1 . 30971 1 182 . 1 . 1 34 34 A H1' H 1 5.9326 0.0000 . 1 . . . . A 65 A H1' . 30971 1 183 . 1 . 1 34 34 A H2 H 1 7.8247 0.0000 . 1 . . . . A 65 A H2 . 30971 1 184 . 1 . 1 34 34 A H8 H 1 7.7184 0.0000 . 1 . . . . A 65 A H8 . 30971 1 185 . 1 . 1 34 34 A C1' C 13 94.1352 0.0000 . 1 . . . . A 65 A C1' . 30971 1 186 . 1 . 1 34 34 A C2 C 13 144.9552 0.0000 . 1 . . . . A 65 A C2 . 30971 1 187 . 1 . 1 34 34 A C8 C 13 132.7073 0.0000 . 1 . . . . A 65 A C8 . 30971 1 188 . 1 . 1 35 35 U H1' H 1 5.4958 0.0000 . 1 . . . . A 66 U H1' . 30971 1 189 . 1 . 1 35 35 U H3 H 1 13.6003 0.0000 . 1 . . . . A 66 U H3 . 30971 1 190 . 1 . 1 35 35 U H5 H 1 5.1783 0.0000 . 1 . . . . A 66 U H5 . 30971 1 191 . 1 . 1 35 35 U H6 H 1 7.4324 0.0000 . 1 . . . . A 66 U H6 . 30971 1 192 . 1 . 1 35 35 U C1' C 13 89.7369 0.0000 . 1 . . . . A 66 U C1' . 30971 1 193 . 1 . 1 35 35 U C5 C 13 102.2127 0.0000 . 1 . . . . A 66 U C5 . 30971 1 194 . 1 . 1 35 35 U C6 C 13 141.5583 0.0000 . 1 . . . . A 66 U C6 . 30971 1 195 . 1 . 1 36 36 C H1' H 1 5.2008 0.0000 . 1 . . . . A 67 C H1' . 30971 1 196 . 1 . 1 36 36 C H5 H 1 5.3822 0.0000 . 1 . . . . A 67 C H5 . 30971 1 197 . 1 . 1 36 36 C H6 H 1 7.5492 0.0000 . 1 . . . . A 67 C H6 . 30971 1 198 . 1 . 1 36 36 C N4 N 15 95.6185 0.0000 . 1 . . . . A 67 C N4 . 30971 1 199 . 1 . 1 37 37 U H1' H 1 5.2746 0.0000 . 1 . . . . A 68 U H1' . 30971 1 200 . 1 . 1 37 37 U H3 H 1 13.3992 0.0000 . 1 . . . . A 68 U H3 . 30971 1 201 . 1 . 1 37 37 U H5 H 1 5.3506 0.0000 . 1 . . . . A 68 U H5 . 30971 1 202 . 1 . 1 37 37 U H6 H 1 7.6275 0.0000 . 1 . . . . A 68 U H6 . 30971 1 203 . 1 . 1 37 37 U C1' C 13 88.7651 0.0000 . 1 . . . . A 68 U C1' . 30971 1 204 . 1 . 1 37 37 U C5 C 13 102.7216 0.0000 . 1 . . . . A 68 U C5 . 30971 1 205 . 1 . 1 37 37 U C6 C 13 145.2839 0.0000 . 1 . . . . A 68 U C6 . 30971 1 206 . 1 . 1 37 37 U N3 N 15 159.3859 0.0000 . 1 . . . . A 68 U N3 . 30971 1 207 . 1 . 1 38 38 G H1 H 1 13.2458 0.0000 . 1 . . . . A 69 G H1 . 30971 1 208 . 1 . 1 38 38 G H1' H 1 5.4430 0.0000 . 1 . . . . A 69 G H1' . 30971 1 209 . 1 . 1 38 38 G H8 H 1 7.3802 0.0000 . 1 . . . . A 69 G H8 . 30971 1 210 . 1 . 1 38 38 G C1' C 13 93.7626 0.0000 . 1 . . . . A 69 G C1' . 30971 1 211 . 1 . 1 38 38 G C8 C 13 137.4188 0.0000 . 1 . . . . A 69 G C8 . 30971 1 212 . 1 . 1 38 38 G N1 N 15 157.4806 0.0000 . 1 . . . . A 69 G N1 . 30971 1 213 . 1 . 1 39 39 G H1 H 1 13.0739 0.0000 . 1 . . . . A 70 G H1 . 30971 1 214 . 1 . 1 39 39 G H1' H 1 5.7106 0.0000 . 1 . . . . A 70 G H1' . 30971 1 215 . 1 . 1 39 39 G H8 H 1 7.1941 0.0000 . 1 . . . . A 70 G H8 . 30971 1 216 . 1 . 1 39 39 G C1' C 13 92.6204 0.0000 . 1 . . . . A 70 G C1' . 30971 1 217 . 1 . 1 39 39 G C8 C 13 136.8346 0.0000 . 1 . . . . A 70 G C8 . 30971 1 218 . 1 . 1 39 39 G N1 N 15 157.9214 0.0000 . 1 . . . . A 70 G N1 . 30971 1 219 . 1 . 1 40 40 C H1' H 1 5.9607 0.0000 . 1 . . . . A 71 C H1' . 30971 1 220 . 1 . 1 40 40 C H5 H 1 5.7842 0.0000 . 1 . . . . A 71 C H5 . 30971 1 221 . 1 . 1 40 40 C H6 H 1 7.6111 0.0000 . 1 . . . . A 71 C H6 . 30971 1 222 . 1 . 1 41 41 U H1' H 1 5.9137 0.0000 . 1 . . . . A 72 U H1' . 30971 1 223 . 1 . 1 41 41 U H5 H 1 5.8342 0.0000 . 1 . . . . A 72 U H5 . 30971 1 224 . 1 . 1 41 41 U H6 H 1 7.7532 0.0000 . 1 . . . . A 72 U H6 . 30971 1 225 . 1 . 1 41 41 U C1' C 13 90.1667 0.0000 . 1 . . . . A 72 U C1' . 30971 1 226 . 1 . 1 41 41 U C5 C 13 103.6405 0.0000 . 1 . . . . A 72 U C5 . 30971 1 227 . 1 . 1 41 41 U C6 C 13 145.7837 0.0000 . 1 . . . . A 72 U C6 . 30971 1 228 . 1 . 1 42 42 G H1 H 1 12.0549 0.0000 . 1 . . . . A 73 G H1 . 30971 1 229 . 1 . 1 42 42 G H1' H 1 5.7286 0.0000 . 1 . . . . A 73 G H1' . 30971 1 230 . 1 . 1 42 42 G H8 H 1 7.3698 0.0000 . 1 . . . . A 73 G H8 . 30971 1 231 . 1 . 1 42 42 G C1' C 13 92.6276 0.0000 . 1 . . . . A 73 G C1' . 30971 1 232 . 1 . 1 42 42 G C8 C 13 137.1016 0.0000 . 1 . . . . A 73 G C8 . 30971 1 233 . 1 . 1 42 42 G N1 N 15 136.0285 0.0000 . 1 . . . . A 73 G N1 . 30971 1 234 . 1 . 1 43 43 G H1 H 1 12.7250 0.0000 . 1 . . . . A 74 G H1 . 30971 1 235 . 1 . 1 43 43 G H1' H 1 5.7545 0.0000 . 1 . . . . A 74 G H1' . 30971 1 236 . 1 . 1 43 43 G H8 H 1 7.3416 0.0000 . 1 . . . . A 74 G H8 . 30971 1 237 . 1 . 1 43 43 G C1' C 13 92.5532 0.0000 . 1 . . . . A 74 G C1' . 30971 1 238 . 1 . 1 43 43 G C8 C 13 137.0001 0.0000 . 1 . . . . A 74 G C8 . 30971 1 239 . 1 . 1 43 43 G N1 N 15 146.6076 0.0000 . 1 . . . . A 74 G N1 . 30971 1 240 . 1 . 1 44 44 C H1' H 1 5.6297 0.0000 . 1 . . . . A 75 C H1' . 30971 1 241 . 1 . 1 44 44 C H5 H 1 5.7837 0.0000 . 1 . . . . A 75 C H5 . 30971 1 242 . 1 . 1 44 44 C H6 H 1 7.7732 0.0000 . 1 . . . . A 75 C H6 . 30971 1 243 . 1 . 1 45 45 U H1' H 1 5.9238 0.0000 . 1 . . . . A 76 U H1' . 30971 1 244 . 1 . 1 45 45 U H5 H 1 5.8577 0.0000 . 1 . . . . A 76 U H5 . 30971 1 245 . 1 . 1 45 45 U H6 H 1 7.7856 0.0000 . 1 . . . . A 76 U H6 . 30971 1 246 . 1 . 1 45 45 U C1' C 13 90.1701 0.0000 . 1 . . . . A 76 U C1' . 30971 1 247 . 1 . 1 45 45 U C5 C 13 103.6799 0.0000 . 1 . . . . A 76 U C5 . 30971 1 248 . 1 . 1 45 45 U C6 C 13 145.7837 0.0000 . 1 . . . . A 76 U C6 . 30971 1 249 . 1 . 1 46 46 A H1' H 1 5.9652 0.0000 . 1 . . . . A 77 A H1' . 30971 1 250 . 1 . 1 46 46 A H2 H 1 7.8747 0.0000 . 1 . . . . A 77 A H2 . 30971 1 251 . 1 . 1 46 46 A H8 H 1 8.2498 0.0000 . 1 . . . . A 77 A H8 . 30971 1 252 . 1 . 1 46 46 A C1' C 13 95.4867 0.0000 . 1 . . . . A 77 A C1' . 30971 1 253 . 1 . 1 46 46 A C2 C 13 144.9812 0.0000 . 1 . . . . A 77 A C2 . 30971 1 254 . 1 . 1 46 46 A C8 C 13 144.8376 0.0000 . 1 . . . . A 77 A C8 . 30971 1 255 . 1 . 1 47 47 G H1 H 1 11.7428 0.0000 . 1 . . . . A 78 G H1 . 30971 1 256 . 1 . 1 47 47 G H1' H 1 5.7198 0.0000 . 1 . . . . A 78 G H1' . 30971 1 257 . 1 . 1 47 47 G H8 H 1 7.7469 0.0000 . 1 . . . . A 78 G H8 . 30971 1 258 . 1 . 1 47 47 G N1 N 15 136.3825 0.0000 . 1 . . . . A 78 G N1 . 30971 1 259 . 1 . 1 48 48 G H1 H 1 11.3363 0.0000 . 1 . . . . A 79 G H1 . 30971 1 260 . 1 . 1 48 48 G H1' H 1 5.6955 0.0000 . 1 . . . . A 79 G H1' . 30971 1 261 . 1 . 1 48 48 G H8 H 1 7.4375 0.0000 . 1 . . . . A 79 G H8 . 30971 1 262 . 1 . 1 48 48 G C8 C 13 137.3973 0.0000 . 1 . . . . A 79 G C8 . 30971 1 263 . 1 . 1 48 48 G N1 N 15 131.0224 0.0000 . 1 . . . . A 79 G N1 . 30971 1 264 . 1 . 1 49 49 C H1' H 1 5.5422 0.0000 . 1 . . . . A 80 C H1' . 30971 1 265 . 1 . 1 49 49 C H5 H 1 5.2145 0.0000 . 1 . . . . A 80 C H5 . 30971 1 266 . 1 . 1 49 49 C H6 H 1 7.4640 0.0000 . 1 . . . . A 80 C H6 . 30971 1 267 . 1 . 1 49 49 C N4 N 15 95.3263 0.0000 . 1 . . . . A 80 C N4 . 30971 1 268 . 1 . 1 50 50 G H1 H 1 10.2009 0.0000 . 1 . . . . A 81 G H1 . 30971 1 269 . 1 . 1 50 50 G H1' H 1 5.6877 0.0000 . 1 . . . . A 81 G H1' . 30971 1 270 . 1 . 1 50 50 G H8 H 1 7.3591 0.0000 . 1 . . . . A 81 G H8 . 30971 1 271 . 1 . 1 50 50 G C1' C 13 92.6508 0.0000 . 1 . . . . A 81 G C1' . 30971 1 272 . 1 . 1 50 50 G C8 C 13 137.9303 0.0000 . 1 . . . . A 81 G C8 . 30971 1 273 . 1 . 1 50 50 G N1 N 15 155.7996 0.0000 . 1 . . . . A 81 G N1 . 30971 1 274 . 1 . 1 51 51 G H1 H 1 12.6397 0.0000 . 1 . . . . A 82 G H1 . 30971 1 275 . 1 . 1 51 51 G H1' H 1 5.7449 0.0000 . 1 . . . . A 82 G H1' . 30971 1 276 . 1 . 1 51 51 G H8 H 1 7.1710 0.0000 . 1 . . . . A 82 G H8 . 30971 1 277 . 1 . 1 51 51 G C1' C 13 92.5465 0.0000 . 1 . . . . A 82 G C1' . 30971 1 278 . 1 . 1 51 51 G C8 C 13 136.9237 0.0000 . 1 . . . . A 82 G C8 . 30971 1 279 . 1 . 1 51 51 G N1 N 15 152.0659 0.0000 . 1 . . . . A 82 G N1 . 30971 1 280 . 1 . 1 52 52 G H1 H 1 11.3757 0.0000 . 1 . . . . A 83 G H1 . 30971 1 281 . 1 . 1 52 52 G H1' H 1 5.7560 0.0000 . 1 . . . . A 83 G H1' . 30971 1 282 . 1 . 1 52 52 G H8 H 1 7.1331 0.0000 . 1 . . . . A 83 G H8 . 30971 1 283 . 1 . 1 52 52 G C1' C 13 92.4647 0.0000 . 1 . . . . A 83 G C1' . 30971 1 284 . 1 . 1 52 52 G C8 C 13 136.6291 0.0000 . 1 . . . . A 83 G C8 . 30971 1 285 . 1 . 1 52 52 G N1 N 15 138.1121 0.0000 . 1 . . . . A 83 G N1 . 30971 1 286 . 1 . 1 53 53 U H1' H 1 5.5715 0.0000 . 1 . . . . A 84 U H1' . 30971 1 287 . 1 . 1 53 53 U H3 H 1 14.2819 0.0000 . 1 . . . . A 84 U H3 . 30971 1 288 . 1 . 1 53 53 U H5 H 1 5.1237 0.0000 . 1 . . . . A 84 U H5 . 30971 1 289 . 1 . 1 53 53 U H6 H 1 7.6776 0.0000 . 1 . . . . A 84 U H6 . 30971 1 290 . 1 . 1 53 53 U C1' C 13 89.8970 0.0000 . 1 . . . . A 84 U C1' . 30971 1 291 . 1 . 1 53 53 U C5 C 13 102.0764 0.0000 . 1 . . . . A 84 U C5 . 30971 1 292 . 1 . 1 53 53 U C6 C 13 145.3695 0.0000 . 1 . . . . A 84 U C6 . 30971 1 293 . 1 . 1 53 53 U N3 N 15 163.0754 0.0000 . 1 . . . . A 84 U N3 . 30971 1 294 . 1 . 1 54 54 C H1' H 1 5.5051 0.0000 . 1 . . . . A 85 C H1' . 30971 1 295 . 1 . 1 54 54 C H5 H 1 5.5438 0.0000 . 1 . . . . A 85 C H5 . 30971 1 296 . 1 . 1 54 54 C H6 H 1 7.8466 0.0000 . 1 . . . . A 85 C H6 . 30971 1 297 . 1 . 1 54 54 C N4 N 15 96.1994 0.0000 . 1 . . . . A 85 C N4 . 30971 1 298 . 1 . 1 55 55 C H1' H 1 5.3672 0.0000 . 1 . . . . A 86 C H1' . 30971 1 299 . 1 . 1 55 55 C H5 H 1 5.3803 0.0000 . 1 . . . . A 86 C H5 . 30971 1 300 . 1 . 1 55 55 C H6 H 1 7.7163 0.0000 . 1 . . . . A 86 C H6 . 30971 1 301 . 1 . 1 55 55 C N4 N 15 96.0930 0.0000 . 1 . . . . A 86 C N4 . 30971 1 302 . 1 . 1 56 56 C H1' H 1 5.6307 0.0000 . 1 . . . . A 87 C H1' . 30971 1 303 . 1 . 1 56 56 C H5 H 1 5.3761 0.0000 . 1 . . . . A 87 C H5 . 30971 1 304 . 1 . 1 56 56 C H6 H 1 7.5781 0.0000 . 1 . . . . A 87 C H6 . 30971 1 305 . 2 . 2 2 2 ILE HB H 1 1.6243 0.0000 . 1 . . . . B 142 ILE HB . 30971 1 306 . 2 . 2 2 2 ILE HG12 H 1 1.2715 0.0000 . 2 . . . . B 142 ILE HG12 . 30971 1 307 . 2 . 2 3 3 SER HA H 1 4.3740 0.0000 . 1 . . . . B 143 SER HA . 30971 1 308 . 2 . 2 3 3 SER HB2 H 1 3.7469 0.0000 . 2 . . . . B 143 SER HB2 . 30971 1 309 . 2 . 2 3 3 SER HG H 1 5.3753 0.0000 . 1 . . . . B 143 SER HG . 30971 1 310 . 2 . 2 4 4 TYR HA H 1 4.3706 0.0000 . 1 . . . . B 144 TYR HA . 30971 1 311 . 2 . 2 4 4 TYR HB2 H 1 2.9477 0.0000 . 2 . . . . B 144 TYR HB2 . 30971 1 312 . 2 . 2 4 4 TYR HD1 H 1 6.9476 0.0000 . 3 . . . . B 144 TYR HD1 . 30971 1 313 . 2 . 2 4 4 TYR HD2 H 1 6.9192 0.0000 . 3 . . . . B 144 TYR HD2 . 30971 1 314 . 2 . 2 6 6 ARG H H 1 8.0982 0.0000 . 1 . . . . B 146 ARG H . 30971 1 315 . 2 . 2 6 6 ARG HA H 1 4.1830 0.0000 . 1 . . . . B 146 ARG HA . 30971 1 316 . 2 . 2 6 6 ARG HB2 H 1 1.7085 0.0000 . 2 . . . . B 146 ARG HB2 . 30971 1 317 . 2 . 2 6 6 ARG HG2 H 1 1.5276 0.0000 . 2 . . . . B 146 ARG HG2 . 30971 1 318 . 2 . 2 6 6 ARG CA C 13 56.6704 0.0000 . 1 . . . . B 146 ARG CA . 30971 1 319 . 2 . 2 6 6 ARG CB C 13 30.5511 0.0000 . 1 . . . . B 146 ARG CB . 30971 1 320 . 2 . 2 6 6 ARG CG C 13 26.3316 0.0000 . 1 . . . . B 146 ARG CG . 30971 1 321 . 2 . 2 6 6 ARG CD C 13 41.8875 0.0000 . 1 . . . . B 146 ARG CD . 30971 1 322 . 2 . 2 6 6 ARG N N 15 108.9057 0.0000 . 1 . . . . B 146 ARG N . 30971 1 323 . 2 . 2 7 7 GLN H H 1 8.3138 0.0000 . 1 . . . . B 147 GLN H . 30971 1 324 . 2 . 2 7 7 GLN HA H 1 4.0997 0.0000 . 1 . . . . B 147 GLN HA . 30971 1 325 . 2 . 2 7 7 GLN HB2 H 1 2.0037 0.0000 . 2 . . . . B 147 GLN HB2 . 30971 1 326 . 2 . 2 7 7 GLN CA C 13 56.6296 0.0000 . 1 . . . . B 147 GLN CA . 30971 1 327 . 2 . 2 7 7 GLN CG C 13 34.0747 0.0000 . 1 . . . . B 147 GLN CG . 30971 1 328 . 2 . 2 7 7 GLN N N 15 121.7019 0.0000 . 1 . . . . B 147 GLN N . 30971 1 329 . 2 . 2 8 8 LEU H H 1 8.2850 0.0000 . 1 . . . . B 148 LEU H . 30971 1 330 . 2 . 2 8 8 LEU CA C 13 55.8776 0.0000 . 1 . . . . B 148 LEU CA . 30971 1 331 . 2 . 2 8 8 LEU N N 15 111.3075 0.0000 . 1 . . . . B 148 LEU N . 30971 1 332 . 2 . 2 9 9 GLY H H 1 8.4554 0.0000 . 1 . . . . B 149 GLY H . 30971 1 333 . 2 . 2 9 9 GLY CA C 13 44.1437 0.0000 . 1 . . . . B 149 GLY CA . 30971 1 334 . 2 . 2 9 9 GLY N N 15 109.5700 0.0000 . 1 . . . . B 149 GLY N . 30971 1 335 . 2 . 2 10 10 LYS H H 1 8.2406 0.0000 . 1 . . . . B 150 LYS H . 30971 1 336 . 2 . 2 10 10 LYS HA H 1 4.1583 0.0000 . 1 . . . . B 150 LYS HA . 30971 1 337 . 2 . 2 10 10 LYS HB2 H 1 1.6424 0.0000 . 2 . . . . B 150 LYS HB2 . 30971 1 338 . 2 . 2 10 10 LYS HG2 H 1 1.2744 0.0000 . 2 . . . . B 150 LYS HG2 . 30971 1 339 . 2 . 2 10 10 LYS HD2 H 1 1.5902 0.0000 . 2 . . . . B 150 LYS HD2 . 30971 1 340 . 2 . 2 10 10 LYS HE2 H 1 2.8346 0.0000 . 2 . . . . B 150 LYS HE2 . 30971 1 341 . 2 . 2 10 10 LYS CA C 13 56.6755 0.0000 . 1 . . . . B 150 LYS CA . 30971 1 342 . 2 . 2 10 10 LYS CB C 13 33.3397 0.0000 . 1 . . . . B 150 LYS CB . 30971 1 343 . 2 . 2 10 10 LYS CG C 13 23.6214 0.0000 . 1 . . . . B 150 LYS CG . 30971 1 344 . 2 . 2 10 10 LYS CD C 13 28.4777 0.0000 . 1 . . . . B 150 LYS CD . 30971 1 345 . 2 . 2 10 10 LYS CE C 13 40.3287 0.0000 . 1 . . . . B 150 LYS CE . 30971 1 346 . 2 . 2 10 10 LYS N N 15 111.2153 0.0000 . 1 . . . . B 150 LYS N . 30971 1 347 . 2 . 2 10 10 LYS NZ N 15 38.8934 0.0000 . 1 . . . . B 150 LYS NZ . 30971 1 348 . 2 . 2 11 11 LYS H H 1 8.2307 0.0000 . 1 . . . . B 151 LYS H . 30971 1 349 . 2 . 2 11 11 LYS HA H 1 4.2099 0.0000 . 1 . . . . B 151 LYS HA . 30971 1 350 . 2 . 2 11 11 LYS HB2 H 1 1.6396 0.0000 . 2 . . . . B 151 LYS HB2 . 30971 1 351 . 2 . 2 11 11 LYS HG2 H 1 1.2773 0.0000 . 2 . . . . B 151 LYS HG2 . 30971 1 352 . 2 . 2 11 11 LYS HD2 H 1 1.5841 0.0000 . 2 . . . . B 151 LYS HD2 . 30971 1 353 . 2 . 2 11 11 LYS HE2 H 1 2.8652 0.0000 . 2 . . . . B 151 LYS HE2 . 30971 1 354 . 2 . 2 11 11 LYS CA C 13 56.4854 0.0000 . 1 . . . . B 151 LYS CA . 30971 1 355 . 2 . 2 11 11 LYS CB C 13 33.3167 0.0000 . 1 . . . . B 151 LYS CB . 30971 1 356 . 2 . 2 11 11 LYS CG C 13 23.4626 0.0000 . 1 . . . . B 151 LYS CG . 30971 1 357 . 2 . 2 11 11 LYS CD C 13 28.5250 0.0000 . 1 . . . . B 151 LYS CD . 30971 1 358 . 2 . 2 11 11 LYS CE C 13 40.3530 0.0000 . 1 . . . . B 151 LYS CE . 30971 1 359 . 2 . 2 11 11 LYS N N 15 111.5670 0.0000 . 1 . . . . B 151 LYS N . 30971 1 360 . 2 . 2 11 11 LYS NZ N 15 42.6765 0.0000 . 1 . . . . B 151 LYS NZ . 30971 1 361 . 2 . 2 12 12 LYS H H 1 8.3131 0.0000 . 1 . . . . B 152 LYS H . 30971 1 362 . 2 . 2 12 12 LYS HA H 1 4.1294 0.0000 . 1 . . . . B 152 LYS HA . 30971 1 363 . 2 . 2 12 12 LYS HB2 H 1 1.6578 0.0000 . 2 . . . . B 152 LYS HB2 . 30971 1 364 . 2 . 2 12 12 LYS HD2 H 1 1.5838 0.0000 . 2 . . . . B 152 LYS HD2 . 30971 1 365 . 2 . 2 12 12 LYS CA C 13 56.6704 0.0000 . 1 . . . . B 152 LYS CA . 30971 1 366 . 2 . 2 12 12 LYS CB C 13 33.3309 0.0000 . 1 . . . . B 152 LYS CB . 30971 1 367 . 2 . 2 12 12 LYS CG C 13 23.6244 0.0000 . 1 . . . . B 152 LYS CG . 30971 1 368 . 2 . 2 12 12 LYS N N 15 111.2153 0.0000 . 1 . . . . B 152 LYS N . 30971 1 369 . 2 . 2 13 13 HIS HA H 1 4.4570 0.0000 . 1 . . . . B 153 HIS HA . 30971 1 370 . 2 . 2 13 13 HIS HB2 H 1 3.0354 0.0000 . 2 . . . . B 153 HIS HB2 . 30971 1 371 . 2 . 2 13 13 HIS HD2 H 1 7.1462 0.0000 . 1 . . . . B 153 HIS HD2 . 30971 1 372 . 2 . 2 14 14 ARG H H 1 8.0837 0.0000 . 1 . . . . B 154 ARG H . 30971 1 373 . 2 . 2 14 14 ARG HA H 1 4.1016 0.0000 . 1 . . . . B 154 ARG HA . 30971 1 374 . 2 . 2 14 14 ARG HB2 H 1 1.7127 0.0000 . 2 . . . . B 154 ARG HB2 . 30971 1 375 . 2 . 2 14 14 ARG HG2 H 1 1.5319 0.0000 . 2 . . . . B 154 ARG HG2 . 30971 1 376 . 2 . 2 14 14 ARG HD2 H 1 3.0831 0.0000 . 2 . . . . B 154 ARG HD2 . 30971 1 377 . 2 . 2 14 14 ARG CA C 13 56.6755 0.0000 . 1 . . . . B 154 ARG CA . 30971 1 378 . 2 . 2 14 14 ARG CB C 13 30.5419 0.0000 . 1 . . . . B 154 ARG CB . 30971 1 379 . 2 . 2 14 14 ARG CG C 13 26.3204 0.0000 . 1 . . . . B 154 ARG CG . 30971 1 380 . 2 . 2 14 14 ARG CD C 13 41.8745 0.0000 . 1 . . . . B 154 ARG CD . 30971 1 381 . 2 . 2 14 14 ARG N N 15 108.9213 0.0000 . 1 . . . . B 154 ARG N . 30971 1 382 . 2 . 2 15 15 ARG H H 1 8.2904 0.0000 . 1 . . . . B 155 ARG H . 30971 1 383 . 2 . 2 15 15 ARG HA H 1 4.1651 0.0000 . 1 . . . . B 155 ARG HA . 30971 1 384 . 2 . 2 15 15 ARG HB2 H 1 1.6773 0.0000 . 2 . . . . B 155 ARG HB2 . 30971 1 385 . 2 . 2 15 15 ARG HG2 H 1 1.5595 0.0000 . 2 . . . . B 155 ARG HG2 . 30971 1 386 . 2 . 2 15 15 ARG HD2 H 1 3.1095 0.0000 . 2 . . . . B 155 ARG HD2 . 30971 1 387 . 2 . 2 15 15 ARG CA C 13 56.5532 0.0000 . 1 . . . . B 155 ARG CA . 30971 1 388 . 2 . 2 15 15 ARG CB C 13 30.5012 0.0000 . 1 . . . . B 155 ARG CB . 30971 1 389 . 2 . 2 15 15 ARG CG C 13 26.3593 0.0000 . 1 . . . . B 155 ARG CG . 30971 1 390 . 2 . 2 15 15 ARG CD C 13 41.8577 0.0000 . 1 . . . . B 155 ARG CD . 30971 1 391 . 2 . 2 15 15 ARG N N 15 109.5670 0.0000 . 1 . . . . B 155 ARG N . 30971 1 392 . 2 . 2 16 16 ARG H H 1 8.3534 0.0000 . 1 . . . . B 156 ARG H . 30971 1 393 . 2 . 2 16 16 ARG HA H 1 4.0726 0.0000 . 1 . . . . B 156 ARG HA . 30971 1 394 . 2 . 2 16 16 ARG HB2 H 1 1.6735 0.0000 . 2 . . . . B 156 ARG HB2 . 30971 1 395 . 2 . 2 16 16 ARG CA C 13 56.6773 0.0000 . 1 . . . . B 156 ARG CA . 30971 1 396 . 2 . 2 16 16 ARG CB C 13 30.5373 0.0000 . 1 . . . . B 156 ARG CB . 30971 1 397 . 2 . 2 16 16 ARG N N 15 111.4645 0.0000 . 1 . . . . B 156 ARG N . 30971 1 398 . 2 . 2 17 17 ALA HA H 1 4.1251 0.0000 . 1 . . . . B 157 ALA HA . 30971 1 399 . 2 . 2 18 18 HIS HA H 1 4.5428 0.0000 . 1 . . . . B 158 HIS HA . 30971 1 400 . 2 . 2 18 18 HIS HB2 H 1 3.1286 0.0000 . 2 . . . . B 158 HIS HB2 . 30971 1 401 . 2 . 2 19 19 GLN HA H 1 4.2007 0.0000 . 1 . . . . B 159 GLN HA . 30971 1 402 . 2 . 2 19 19 GLN HB2 H 1 2.0306 0.0000 . 2 . . . . B 159 GLN HB2 . 30971 1 403 . 2 . 2 19 19 GLN HG2 H 1 2.2482 0.0000 . 2 . . . . B 159 GLN HG2 . 30971 1 stop_ save_