data_25101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25101 _Entry.Title ; Solution NMR structure of tRNApro:MLV Nucleocapsid Protein (1:1) Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-19 _Entry.Accession_date 2014-07-19 _Entry.Last_release_date 2015-10-16 _Entry.Original_release_date 2015-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Victoria D'Souza . . . 25101 2 Zehra Yildiz . . . 25101 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 1 'not applicable' 'not applicable' . 25101 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA/PROTEIN . 25101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 25101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 33 25101 '1H chemical shifts' 250 25101 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-10-16 2014-07-19 update BMRB 'update entry citation' 25101 1 . . 2014-09-08 2014-07-19 original author 'original release' 25101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25049 'RNA (68-MER)' 25101 BMRB 25052 'RNA (68-MER) and Nucleocapsid protein p10' 25101 BMRB 25100 'pf tRNApro:MLV-Nucleocapsid (1:2) Complex' 25101 PDB 2MS1 'BMRB Entry Tracking System' 25101 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25101 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25209668 _Citation.Full_citation . _Citation.Title ; A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 515 _Citation.Journal_issue 7528 _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 591 _Citation.Page_last 595 _Citation.Year 2014 _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 Sarah Miller . B. . 25101 1 2 F. Yildiz . Zehra . 25101 1 3 Jennifer Lo . A. . 25101 1 4 Bo Wang . . . 25101 1 5 Victoria D'Souza . M. . 25101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25101 _Assembly.ID 1 _Assembly.Name 'tRNApro:MLV Nucleocapsid Protein (1:1) Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 entity_1 1 $entity_1 A . yes native no no . . . 25101 1 2 'RNA (71-MER)' 2 $RNA_(71-MER) B . yes native no no . . . 25101 1 3 'ZINC ION' 3 $entity_ZN C . yes native no no . . . 25101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MLV_Nucleocapsid _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATVVSGQKQDRQGGERRRSQ LDRDQCAYCKEKGHWAKDCP KKPRGPRGPRPQTSL ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6264.138 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25052 . entity_1 . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 2 no BMRB 25100 . MLV_Nucleocapsid . . . . . 100.00 55 100.00 100.00 3.86e-30 . . . . 25101 1 3 no PDB 1A6B . "Nmr Structure Of The Complex Between The Zinc Finger Protein Ncp10 Of Moloney Murine Leukemia Virus And A Sequence Of The Psi-P" . . . . . 72.73 40 100.00 100.00 3.29e-19 . . . . 25101 1 4 no PDB 1U6P . "Nmr Structure Of The Mlv Encapsidation Signal Bound To The Nucleocapsid Protein" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 5 no PDB 1WWD . "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Aacagu" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 6 no PDB 1WWE . "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Uuuugcu" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 7 no PDB 1WWF . "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Ccuccgu" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 8 no PDB 1WWG . "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Uaucug" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 9 no PDB 2MQV . "Solution Nmr Structure Of The U5-primer Binding Site (u5-pbs) Domain Of Murine Leukemia Virus Rna Genome Bound To The Retrovira" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 10 no PDB 2MS0 . "Solution Nmr Structure Pf Trnapro:mlv-nucleocapsid (1:2) Complex" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 11 no PDB 2MS1 . "Solution Nmr Structure Of Trnapro:mlv Nucleocapsid Protein (1:1) Complex" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 12 no GB AAB59942 . "gag polyprotein pr65 [Murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 2.04e-28 . . . . 25101 1 13 no GB AAB64159 . "Gag [synthetic construct]" . . . . . 100.00 538 100.00 100.00 2.04e-28 . . . . 25101 1 14 no GB AAC82566 . "Pr65 [Moloney murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 2.04e-28 . . . . 25101 1 15 no GB AAC82568 . "Pr180 [Moloney murine leukemia virus]" . . . . . 100.00 1737 100.00 100.00 4.87e-28 . . . . 25101 1 16 no GB AAL69908 . "gPr80 glycosylated gag polyprotein [Moloney murine leukemia virus]" . . . . . 100.00 626 98.18 100.00 9.13e-28 . . . . 25101 1 17 no PRF 0711245A . "protein gag/pol/env" . . . . . 100.00 2514 100.00 100.00 6.78e-28 . . . . 25101 1 18 no REF NP_057933 . "Pr180 [Moloney murine leukemia virus]" . . . . . 100.00 1737 100.00 100.00 4.87e-28 . . . . 25101 1 19 no REF NP_057934 . "Pr65 [Moloney murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 2.04e-28 . . . . 25101 1 20 no REF NP_955586 . "p10 NC [Moloney murine leukemia virus]" . . . . . 100.00 56 100.00 100.00 4.17e-30 . . . . 25101 1 21 no SP P03332 . "RecName: Full=Gag polyprotein; Short=Pr65gag; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short" . . . . . 100.00 538 100.00 100.00 2.04e-28 . . . . 25101 1 22 no SP P03355 . "RecName: Full=Gag-Pol polyprotein; Short=Pr180gag-pol; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName:" . . . . . 100.00 1738 100.00 100.00 4.88e-28 . . . . 25101 1 23 no SP Q8UN02 . "RecName: Full=Glycosylated Gag polyprotein; Short=Pr80gag; AltName: Full=Glyco-gag; AltName: Full=gp80gag; Contains: RecName: F" . . . . . 100.00 626 98.18 100.00 9.13e-28 . . . . 25101 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25101 1 2 2 THR . 25101 1 3 3 VAL . 25101 1 4 4 VAL . 25101 1 5 5 SER . 25101 1 6 6 GLY . 25101 1 7 7 GLN . 25101 1 8 8 LYS . 25101 1 9 9 GLN . 25101 1 10 10 ASP . 25101 1 11 11 ARG . 25101 1 12 12 GLN . 25101 1 13 13 GLY . 25101 1 14 14 GLY . 25101 1 15 15 GLU . 25101 1 16 16 ARG . 25101 1 17 17 ARG . 25101 1 18 18 ARG . 25101 1 19 19 SER . 25101 1 20 20 GLN . 25101 1 21 21 LEU . 25101 1 22 22 ASP . 25101 1 23 23 ARG . 25101 1 24 24 ASP . 25101 1 25 25 GLN . 25101 1 26 26 CYS . 25101 1 27 27 ALA . 25101 1 28 28 TYR . 25101 1 29 29 CYS . 25101 1 30 30 LYS . 25101 1 31 31 GLU . 25101 1 32 32 LYS . 25101 1 33 33 GLY . 25101 1 34 34 HIS . 25101 1 35 35 TRP . 25101 1 36 36 ALA . 25101 1 37 37 LYS . 25101 1 38 38 ASP . 25101 1 39 39 CYS . 25101 1 40 40 PRO . 25101 1 41 41 LYS . 25101 1 42 42 LYS . 25101 1 43 43 PRO . 25101 1 44 44 ARG . 25101 1 45 45 GLY . 25101 1 46 46 PRO . 25101 1 47 47 ARG . 25101 1 48 48 GLY . 25101 1 49 49 PRO . 25101 1 50 50 ARG . 25101 1 51 51 PRO . 25101 1 52 52 GLN . 25101 1 53 53 THR . 25101 1 54 54 SER . 25101 1 55 55 LEU . 25101 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 . ALA 1 1 25101 1 . THR 2 2 25101 1 . VAL 3 3 25101 1 . VAL 4 4 25101 1 . SER 5 5 25101 1 . GLY 6 6 25101 1 . GLN 7 7 25101 1 . LYS 8 8 25101 1 . GLN 9 9 25101 1 . ASP 10 10 25101 1 . ARG 11 11 25101 1 . GLN 12 12 25101 1 . GLY 13 13 25101 1 . GLY 14 14 25101 1 . GLU 15 15 25101 1 . ARG 16 16 25101 1 . ARG 17 17 25101 1 . ARG 18 18 25101 1 . SER 19 19 25101 1 . GLN 20 20 25101 1 . LEU 21 21 25101 1 . ASP 22 22 25101 1 . ARG 23 23 25101 1 . ASP 24 24 25101 1 . GLN 25 25 25101 1 . CYS 26 26 25101 1 . ALA 27 27 25101 1 . TYR 28 28 25101 1 . CYS 29 29 25101 1 . LYS 30 30 25101 1 . GLU 31 31 25101 1 . LYS 32 32 25101 1 . GLY 33 33 25101 1 . HIS 34 34 25101 1 . TRP 35 35 25101 1 . ALA 36 36 25101 1 . LYS 37 37 25101 1 . ASP 38 38 25101 1 . CYS 39 39 25101 1 . PRO 40 40 25101 1 . LYS 41 41 25101 1 . LYS 42 42 25101 1 . PRO 43 43 25101 1 . ARG 44 44 25101 1 . GLY 45 45 25101 1 . PRO 46 46 25101 1 . ARG 47 47 25101 1 . GLY 48 48 25101 1 . PRO 49 49 25101 1 . ARG 50 50 25101 1 . PRO 51 51 25101 1 . GLN 52 52 25101 1 . THR 53 53 25101 1 . SER 54 54 25101 1 . LEU 55 55 25101 1 stop_ save_ save_RNA_(71-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(71-MER) _Entity.Entry_ID 25101 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name tRNApro _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCUCGUUGGUCUAGGGGUA UGAUUCUCGCUUAGGGUGCG AGAGGUCCCGGGUUCAAAUC CCGGACGAGCC ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 G . 25101 2 2 2 G . 25101 2 3 3 C . 25101 2 4 4 U . 25101 2 5 5 C . 25101 2 6 6 G . 25101 2 7 7 U . 25101 2 8 8 U . 25101 2 9 9 G . 25101 2 10 10 G . 25101 2 11 11 U . 25101 2 12 12 C . 25101 2 13 13 U . 25101 2 14 14 A . 25101 2 15 15 G . 25101 2 16 16 G . 25101 2 17 18 G . 25101 2 18 19 G . 25101 2 19 20 U . 25101 2 20 21 A . 25101 2 21 22 U . 25101 2 22 23 G . 25101 2 23 24 A . 25101 2 24 25 U . 25101 2 25 26 U . 25101 2 26 27 C . 25101 2 27 28 U . 25101 2 28 29 C . 25101 2 29 30 G . 25101 2 30 31 C . 25101 2 31 32 U . 25101 2 32 33 U . 25101 2 33 34 A . 25101 2 34 35 G . 25101 2 35 36 G . 25101 2 36 37 G . 25101 2 37 38 U . 25101 2 38 39 G . 25101 2 39 40 C . 25101 2 40 41 G . 25101 2 41 42 A . 25101 2 42 43 G . 25101 2 43 44 A . 25101 2 44 45 G . 25101 2 45 46 G . 25101 2 46 47 U . 25101 2 47 48 C . 25101 2 48 49 C . 25101 2 49 50 C . 25101 2 50 51 G . 25101 2 51 52 G . 25101 2 52 53 G . 25101 2 53 54 U . 25101 2 54 55 U . 25101 2 55 56 C . 25101 2 56 57 A . 25101 2 57 58 A . 25101 2 58 59 A . 25101 2 59 60 U . 25101 2 60 61 C . 25101 2 61 62 C . 25101 2 62 63 C . 25101 2 63 64 G . 25101 2 64 65 G . 25101 2 65 66 A . 25101 2 66 67 C . 25101 2 67 68 G . 25101 2 68 69 A . 25101 2 69 70 G . 25101 2 70 71 C . 25101 2 71 72 C . 25101 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 . G 1 1 25101 2 . G 2 2 25101 2 . C 3 3 25101 2 . U 4 4 25101 2 . C 5 5 25101 2 . G 6 6 25101 2 . U 7 7 25101 2 . U 8 8 25101 2 . G 9 9 25101 2 . G 10 10 25101 2 . U 11 11 25101 2 . C 12 12 25101 2 . U 13 13 25101 2 . A 14 14 25101 2 . G 15 15 25101 2 . G 16 16 25101 2 . G 17 17 25101 2 . G 18 18 25101 2 . U 19 19 25101 2 . A 20 20 25101 2 . U 21 21 25101 2 . G 22 22 25101 2 . A 23 23 25101 2 . U 24 24 25101 2 . U 25 25 25101 2 . C 26 26 25101 2 . U 27 27 25101 2 . C 28 28 25101 2 . G 29 29 25101 2 . C 30 30 25101 2 . U 31 31 25101 2 . U 32 32 25101 2 . A 33 33 25101 2 . G 34 34 25101 2 . G 35 35 25101 2 . G 36 36 25101 2 . U 37 37 25101 2 . G 38 38 25101 2 . C 39 39 25101 2 . G 40 40 25101 2 . A 41 41 25101 2 . G 42 42 25101 2 . A 43 43 25101 2 . G 44 44 25101 2 . G 45 45 25101 2 . U 46 46 25101 2 . C 47 47 25101 2 . C 48 48 25101 2 . C 49 49 25101 2 . G 50 50 25101 2 . G 51 51 25101 2 . G 52 52 25101 2 . U 53 53 25101 2 . U 54 54 25101 2 . C 55 55 25101 2 . A 56 56 25101 2 . A 57 57 25101 2 . A 58 58 25101 2 . U 59 59 25101 2 . C 60 60 25101 2 . C 61 61 25101 2 . C 62 62 25101 2 . G 63 63 25101 2 . G 64 64 25101 2 . A 65 65 25101 2 . C 66 66 25101 2 . G 67 67 25101 2 . A 68 68 25101 2 . G 69 69 25101 2 . C 70 70 25101 2 . C 71 71 25101 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25101 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25101 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25101 3 ZN 'Three letter code' 25101 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25101 3 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 25101 _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 . 11786 virus . 'Murine Leukemia Virus' 'Murine Leukemia Virus' . . Viruses . Gammaretrovirus . . . . . . . . . . . . . . 25101 1 2 2 $RNA_(71-MER) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25101 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 25101 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCNA . . . 25101 1 2 2 $RNA_(71-MER) . 'enzymatic semisynthesis' 'homo sapiens' . . . homo sapiens . . . . . . PUC19 . . . 25101 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25101 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25101 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25101 ZN [Zn++] SMILES CACTVS 3.341 25101 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25101 ZN [Zn+2] SMILES ACDLabs 10.04 25101 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25101 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25101 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25101 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25101 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25101 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25101 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 1 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 1 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25101 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' '13C, 15N G-lab tRNA-pro' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 2 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 2 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 2 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25101 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' '13C, 15N G-lab tRNA-pro13C' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 3 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 3 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 3 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25101 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' '13C, 15N G-lab tRNA-pro' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 4 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 4 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 4 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25101 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' '13C, 15N G-lab tRNA-13C' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 5 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 5 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 5 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25101 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'NC-tRNApro (1:1)' '13C, 15N G-lab tRNA-pro' . . 1 $entity_1 . . 0.5 . . mM . . . . 25101 6 2 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 25101 6 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25101 6 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25101 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25101 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25101 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 25101 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10mM Tris, 1mM MgCl2, 10mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 25101 1 pressure 1 . atm 25101 1 temperature 311 . K 25101 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25101 _Software.ID 1 _Software.Name AMBER _Software.Version . _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 Kollman' . . 25101 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25101 1 'Johnson, One Moon Scientific' . . 25101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25101 1 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 25101 _NMR_spectrometer.ID 1 _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 25101 _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 Bruker DMX . 700 . . . 25101 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 25101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 7 '2D NOESY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 8 '2D NOESY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 9 '2D NOESY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 10 '2D NOESY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25101 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25101 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25101 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25101 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25101 _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_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 7 '2D NOESY' . . . 25101 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.3333125 0.0 . 1 . . . A 2 THR HA . 25101 1 2 . 1 1 2 2 THR HB H 1 4.06889666667 0.0 . 1 . . . A 2 THR HB . 25101 1 3 . 1 1 3 3 VAL HA H 1 3.89224 0.0 . 1 . . . A 3 VAL HA . 25101 1 4 . 1 1 3 3 VAL HB H 1 1.801695 0.0 . 1 . . . A 3 VAL HB . 25101 1 5 . 1 1 4 4 VAL HA H 1 3.93334 0.0 . 1 . . . A 4 VAL HA . 25101 1 6 . 1 1 4 4 VAL HB H 1 1.83452 0.0 . 1 . . . A 4 VAL HB . 25101 1 7 . 1 1 5 5 SER HA H 1 4.219625 0.0 . 1 . . . A 5 SER HA . 25101 1 8 . 1 1 5 5 SER HB2 H 1 3.700315 0.0 . 2 . . . A 5 SER HB2 . 25101 1 9 . 1 1 6 6 GLY HA2 H 1 3.831655 0.0 . 2 . . . A 6 GLY HA2 . 25101 1 10 . 1 1 7 7 GLN HA H 1 4.14482 0.0 . 1 . . . A 7 GLN HA . 25101 1 11 . 1 1 7 7 GLN HB2 H 1 1.7388 0.0 . 2 . . . A 7 GLN HB2 . 25101 1 12 . 1 1 7 7 GLN HG2 H 1 2.15196666667 0.0 . 2 . . . A 7 GLN HG2 . 25101 1 13 . 1 1 8 8 LYS HA H 1 3.15804 0.0 . 1 . . . A 8 LYS HA . 25101 1 14 . 1 1 8 8 LYS HE2 H 1 2.72654 0.0 . 2 . . . A 8 LYS HE2 . 25101 1 15 . 1 1 16 16 ARG HD2 H 1 2.86487 0.0 . 2 . . . A 16 ARG HD2 . 25101 1 16 . 1 1 18 18 ARG HA H 1 4.04056 0.0 . 1 . . . A 18 ARG HA . 25101 1 17 . 1 1 18 18 ARG HB2 H 1 1.51695 0.0 . 2 . . . A 18 ARG HB2 . 25101 1 18 . 1 1 18 18 ARG HG2 H 1 1.35148 0.0 . 2 . . . A 18 ARG HG2 . 25101 1 19 . 1 1 18 18 ARG HD2 H 1 2.87744 0.0 . 2 . . . A 18 ARG HD2 . 25101 1 20 . 1 1 19 19 SER HA H 1 4.19504 0.0 . 1 . . . A 19 SER HA . 25101 1 21 . 1 1 19 19 SER HB2 H 1 3.62832 0.0 . 2 . . . A 19 SER HB2 . 25101 1 22 . 1 1 21 21 LEU HA H 1 4.20494 0.0 . 1 . . . A 21 LEU HA . 25101 1 23 . 1 1 21 21 LEU HG H 1 1.30562 0.0 . 1 . . . A 21 LEU HG . 25101 1 24 . 1 1 22 22 ASP HA H 1 4.39841 0.0 . 1 . . . A 22 ASP HA . 25101 1 25 . 1 1 22 22 ASP HB2 H 1 2.63813 0.0 . 2 . . . A 22 ASP HB2 . 25101 1 26 . 1 1 23 23 ARG HA H 1 4.11448 0.0 . 1 . . . A 23 ARG HA . 25101 1 27 . 1 1 23 23 ARG HB2 H 1 1.7351 0.0 . 2 . . . A 23 ARG HB2 . 25101 1 28 . 1 1 23 23 ARG HG2 H 1 1.6182 0.0 . 2 . . . A 23 ARG HG2 . 25101 1 29 . 1 1 23 23 ARG HD2 H 1 3.06487 0.0 . 2 . . . A 23 ARG HD2 . 25101 1 30 . 1 1 26 26 CYS HA H 1 4.278955 0.0 . 1 . . . A 26 CYS HA . 25101 1 31 . 1 1 26 26 CYS HB2 H 1 1.850795 0.0 . 2 . . . A 26 CYS HB2 . 25101 1 32 . 1 1 26 26 CYS HB3 H 1 2.830545 0.0 . 2 . . . A 26 CYS HB3 . 25101 1 33 . 1 1 27 27 ALA HA H 1 3.72154333333 0.0 . 1 . . . A 27 ALA HA . 25101 1 34 . 1 1 28 28 TYR HA H 1 4.264765 0.0 . 1 . . . A 28 TYR HA . 25101 1 35 . 1 1 28 28 TYR HB2 H 1 2.9862 0.0 . 2 . . . A 28 TYR HB2 . 25101 1 36 . 1 1 28 28 TYR HB3 H 1 2.2891 0.0 . 2 . . . A 28 TYR HB3 . 25101 1 37 . 1 1 28 28 TYR HD1 H 1 7.06900684211 0.0 . 3 . . . A 28 TYR HD1 . 25101 1 38 . 1 1 28 28 TYR HE1 H 1 6.61197642857 0.0 . 3 . . . A 28 TYR HE1 . 25101 1 39 . 1 1 28 28 TYR HE2 H 1 6.50904 0.0 . 3 . . . A 28 TYR HE2 . 25101 1 40 . 1 1 29 29 CYS HA H 1 4.15013 0.0 . 1 . . . A 29 CYS HA . 25101 1 41 . 1 1 29 29 CYS HB2 H 1 2.89038 0.0 . 2 . . . A 29 CYS HB2 . 25101 1 42 . 1 1 30 30 LYS HA H 1 4.16732 0.0 . 1 . . . A 30 LYS HA . 25101 1 43 . 1 1 30 30 LYS HE2 H 1 2.554864 0.0 . 2 . . . A 30 LYS HE2 . 25101 1 44 . 1 1 31 31 GLU HA H 1 4.229175 0.0 . 1 . . . A 31 GLU HA . 25101 1 45 . 1 1 31 31 GLU HG2 H 1 2.22803 0.0 . 2 . . . A 31 GLU HG2 . 25101 1 46 . 1 1 34 34 HIS HA H 1 3.596725 0.0 . 1 . . . A 34 HIS HA . 25101 1 47 . 1 1 34 34 HIS HB2 H 1 3.5374 0.0 . 2 . . . A 34 HIS HB2 . 25101 1 48 . 1 1 34 34 HIS HD1 H 1 6.9744025 0.0 . 1 . . . A 34 HIS HD1 . 25101 1 49 . 1 1 34 34 HIS HE1 H 1 7.47655 0.0 . 1 . . . A 34 HIS HE1 . 25101 1 50 . 1 1 35 35 TRP HA H 1 5.049285 0.0 . 1 . . . A 35 TRP HA . 25101 1 51 . 1 1 35 35 TRP HB2 H 1 3.3452175 0.0 . 2 . . . A 35 TRP HB2 . 25101 1 52 . 1 1 35 35 TRP HB3 H 1 2.93862 0.0 . 2 . . . A 35 TRP HB3 . 25101 1 53 . 1 1 35 35 TRP HD1 H 1 6.774681 0.0 . 1 . . . A 35 TRP HD1 . 25101 1 54 . 1 1 35 35 TRP HE3 H 1 6.970178 0.0 . 1 . . . A 35 TRP HE3 . 25101 1 55 . 1 1 35 35 TRP HZ2 H 1 7.237385 0.0 . 1 . . . A 35 TRP HZ2 . 25101 1 56 . 1 1 35 35 TRP HZ3 H 1 6.80545375 0.0 . 1 . . . A 35 TRP HZ3 . 25101 1 57 . 1 1 35 35 TRP HH2 H 1 7.052926 0.0 . 1 . . . A 35 TRP HH2 . 25101 1 58 . 1 1 37 37 LYS HA H 1 3.98681 0.0 . 1 . . . A 37 LYS HA . 25101 1 59 . 1 1 37 37 LYS HG2 H 1 1.5813425 0.0 . 2 . . . A 37 LYS HG2 . 25101 1 60 . 1 1 38 38 ASP HA H 1 4.78504444444 0.0 . 1 . . . A 38 ASP HA . 25101 1 61 . 1 1 38 38 ASP HB2 H 1 2.83356 0.0 . 2 . . . A 38 ASP HB2 . 25101 1 62 . 1 1 39 39 CYS HB2 H 1 3.09207 0.0 . 2 . . . A 39 CYS HB2 . 25101 1 63 . 1 1 39 39 CYS HB3 H 1 2.94741 0.0 . 2 . . . A 39 CYS HB3 . 25101 1 64 . 1 1 41 41 LYS HB2 H 1 1.8018 0.0 . 2 . . . A 41 LYS HB2 . 25101 1 65 . 1 1 42 42 LYS HA H 1 3.71094 0.0 . 1 . . . A 42 LYS HA . 25101 1 66 . 1 1 42 42 LYS HG2 H 1 0.69359 0.0 . 2 . . . A 42 LYS HG2 . 25101 1 67 . 1 1 42 42 LYS HD2 H 1 1.32293 0.0 . 2 . . . A 42 LYS HD2 . 25101 1 68 . 1 1 42 42 LYS HE2 H 1 2.48154 0.0 . 2 . . . A 42 LYS HE2 . 25101 1 69 . 1 1 45 45 GLY HA2 H 1 3.61512333333 0.0 . 2 . . . A 45 GLY HA2 . 25101 1 70 . 1 1 46 46 PRO HA H 1 4.33253 0.0 . 1 . . . A 46 PRO HA . 25101 1 71 . 1 1 54 54 SER HA H 1 4.25746 0.0 . 1 . . . A 54 SER HA . 25101 1 72 . 1 1 54 54 SER HB2 H 1 3.65088 0.0 . 2 . . . A 54 SER HB2 . 25101 1 73 . 1 1 55 55 LEU HA H 1 4.22908 0.0 . 1 . . . A 55 LEU HA . 25101 1 74 . 1 1 55 55 LEU HG H 1 1.386685 0.0 . 1 . . . A 55 LEU HG . 25101 1 stop_ save_ save_assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 2 _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_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 8 '2D NOESY' . . . 25101 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 G H1' H 1 5.8549 0.0 . 1 . . . B 1 G H1' . 25101 2 2 . 2 2 1 1 G H2' H 1 4.84317 0.0 . 1 . . . B 1 G H2' . 25101 2 3 . 2 2 1 1 G H8 H 1 7.964975 0.0 . 1 . . . B 1 G H8 . 25101 2 4 . 2 2 2 2 G H8 H 1 7.46028 0.0 . 1 . . . B 2 G H8 . 25101 2 5 . 2 2 4 4 U H1' H 1 5.56974 0.0 . 1 . . . B 4 U H1' . 25101 2 6 . 2 2 4 4 U H5 H 1 5.44296 0.0 . 1 . . . B 4 U H5 . 25101 2 7 . 2 2 4 4 U H6 H 1 7.887685 0.0 . 1 . . . B 4 U H6 . 25101 2 8 . 2 2 6 6 G H1' H 1 5.70555 0.0 . 1 . . . B 6 G H1' . 25101 2 9 . 2 2 6 6 G H8 H 1 7.53632 0.0 . 1 . . . B 6 G H8 . 25101 2 10 . 2 2 7 7 U H1' H 1 5.64141 0.0 . 1 . . . B 7 U H1' . 25101 2 11 . 2 2 7 7 U H5 H 1 5.81165 0.0 . 1 . . . B 7 U H5 . 25101 2 12 . 2 2 7 7 U H6 H 1 7.86766333333 0.0 . 1 . . . B 7 U H6 . 25101 2 13 . 2 2 8 8 U H1' H 1 5.83657 0.0 . 1 . . . B 8 U H1' . 25101 2 14 . 2 2 8 8 U H5 H 1 5.80571 0.0 . 1 . . . B 8 U H5 . 25101 2 15 . 2 2 8 8 U H6 H 1 7.67588 0.0 . 1 . . . B 8 U H6 . 25101 2 16 . 2 2 9 9 G H1' H 1 5.75782 0.0 . 1 . . . B 9 G H1' . 25101 2 17 . 2 2 9 9 G H8 H 1 7.158305 0.0 . 1 . . . B 9 G H8 . 25101 2 18 . 2 2 10 10 G H1' H 1 5.779725 0.0 . 1 . . . B 10 G H1' . 25101 2 19 . 2 2 10 10 G H8 H 1 7.35231333333 0.0 . 1 . . . B 10 G H8 . 25101 2 20 . 2 2 11 11 U H1' H 1 5.552715 0.0 . 1 . . . B 11 U H1' . 25101 2 21 . 2 2 11 11 U H5 H 1 5.340205 0.0 . 1 . . . B 11 U H5 . 25101 2 22 . 2 2 11 11 U H6 H 1 7.5382375 0.0 . 1 . . . B 11 U H6 . 25101 2 23 . 2 2 12 12 C H1' H 1 5.53461 0.0 . 1 . . . B 12 C H1' . 25101 2 24 . 2 2 12 12 C H5 H 1 5.448055 0.0 . 1 . . . B 12 C H5 . 25101 2 25 . 2 2 12 12 C H6 H 1 7.656918 0.0 . 1 . . . B 12 C H6 . 25101 2 26 . 2 2 13 13 U H1' H 1 5.59061 0.0 . 1 . . . B 13 U H1' . 25101 2 27 . 2 2 13 13 U H5 H 1 5.5287 0.0 . 1 . . . B 13 U H5 . 25101 2 28 . 2 2 13 13 U H6 H 1 7.821782 0.0 . 1 . . . B 13 U H6 . 25101 2 29 . 2 2 14 14 A H1' H 1 5.85543 0.0 . 1 . . . B 14 A H1' . 25101 2 30 . 2 2 14 14 A H2 H 1 8.04324 0.0 . 1 . . . B 14 A H2 . 25101 2 31 . 2 2 14 14 A H8 H 1 8.11719 0.0 . 1 . . . B 14 A H8 . 25101 2 32 . 2 2 15 15 G H1' H 1 5.63222 0.0 . 1 . . . B 15 G H1' . 25101 2 33 . 2 2 15 15 G H8 H 1 7.87216333333 0.0 . 1 . . . B 15 G H8 . 25101 2 34 . 2 2 17 17 G H1' H 1 5.381325 0.0 . 1 . . . B 18 G H1' . 25101 2 35 . 2 2 17 17 G H8 H 1 7.219695 0.0 . 1 . . . B 18 G H8 . 25101 2 36 . 2 2 18 18 G H8 H 1 7.65396 0.0 . 1 . . . B 19 G H8 . 25101 2 37 . 2 2 19 19 U H1' H 1 5.537545 0.0 . 1 . . . B 20 U H1' . 25101 2 38 . 2 2 19 19 U H5 H 1 5.4088 0.0 . 1 . . . B 20 U H5 . 25101 2 39 . 2 2 19 19 U H6 H 1 7.520655 0.0 . 1 . . . B 20 U H6 . 25101 2 40 . 2 2 20 20 A H1' H 1 5.86758 0.0 . 1 . . . B 21 A H1' . 25101 2 41 . 2 2 20 20 A H2 H 1 8.02888 0.0 . 1 . . . B 21 A H2 . 25101 2 42 . 2 2 20 20 A H8 H 1 8.19764666667 0.0 . 1 . . . B 21 A H8 . 25101 2 43 . 2 2 21 21 U H1' H 1 5.40791 0.0 . 1 . . . B 22 U H1' . 25101 2 44 . 2 2 21 21 U H5 H 1 5.41427333333 0.0 . 1 . . . B 22 U H5 . 25101 2 45 . 2 2 21 21 U H6 H 1 7.511415 0.0 . 1 . . . B 22 U H6 . 25101 2 46 . 2 2 23 23 A H8 H 1 8.19761 0.0 . 1 . . . B 24 A H8 . 25101 2 47 . 2 2 24 24 U H6 H 1 7.51847 0.0 . 1 . . . B 25 U H6 . 25101 2 48 . 2 2 25 25 U H1' H 1 5.60265 0.0 . 1 . . . B 26 U H1' . 25101 2 49 . 2 2 25 25 U H5 H 1 5.897365 0.0 . 1 . . . B 26 U H5 . 25101 2 50 . 2 2 25 25 U H6 H 1 8.0801225 0.0 . 1 . . . B 26 U H6 . 25101 2 51 . 2 2 26 26 C H1' H 1 5.62604 0.0 . 1 . . . B 27 C H1' . 25101 2 52 . 2 2 26 26 C H5 H 1 5.80499 0.0 . 1 . . . B 27 C H5 . 25101 2 53 . 2 2 26 26 C H6 H 1 8.03657333333 0.0 . 1 . . . B 27 C H6 . 25101 2 54 . 2 2 27 27 U H1' H 1 5.52756 0.0 . 1 . . . B 28 U H1' . 25101 2 55 . 2 2 27 27 U H5 H 1 5.42166 0.0 . 1 . . . B 28 U H5 . 25101 2 56 . 2 2 27 27 U H6 H 1 7.9582375 0.0 . 1 . . . B 28 U H6 . 25101 2 57 . 2 2 28 28 C H1' H 1 5.56539 0.0 . 1 . . . B 29 C H1' . 25101 2 58 . 2 2 28 28 C H5 H 1 5.65857 0.0 . 1 . . . B 29 C H5 . 25101 2 59 . 2 2 28 28 C H6 H 1 7.84813666667 0.0 . 1 . . . B 29 C H6 . 25101 2 60 . 2 2 29 29 G H1' H 1 5.671845 0.0 . 1 . . . B 30 G H1' . 25101 2 61 . 2 2 29 29 G H8 H 1 7.59902 0.0 . 1 . . . B 30 G H8 . 25101 2 62 . 2 2 30 30 C H1' H 1 5.53208 0.0 . 1 . . . B 31 C H1' . 25101 2 63 . 2 2 30 30 C H5 H 1 5.16256 0.0 . 1 . . . B 31 C H5 . 25101 2 64 . 2 2 30 30 C H6 H 1 7.46975 0.0 . 1 . . . B 31 C H6 . 25101 2 65 . 2 2 31 31 U H1' H 1 5.852635 0.0 . 1 . . . B 32 U H1' . 25101 2 66 . 2 2 31 31 U H6 H 1 7.8941 0.0 . 1 . . . B 32 U H6 . 25101 2 67 . 2 2 32 32 U H5 H 1 5.604405 0.0 . 1 . . . B 33 U H5 . 25101 2 68 . 2 2 32 32 U H6 H 1 7.746975 0.0 . 1 . . . B 33 U H6 . 25101 2 69 . 2 2 33 33 A H1' H 1 5.80995 0.0 . 1 . . . B 34 A H1' . 25101 2 70 . 2 2 33 33 A H2 H 1 8.061025 0.0 . 1 . . . B 34 A H2 . 25101 2 71 . 2 2 33 33 A H8 H 1 8.2191 0.0 . 1 . . . B 34 A H8 . 25101 2 72 . 2 2 34 34 G H1' H 1 5.73431 0.0 . 1 . . . B 35 G H1' . 25101 2 73 . 2 2 34 34 G H8 H 1 7.87415 0.0 . 1 . . . B 35 G H8 . 25101 2 74 . 2 2 35 35 G H1' H 1 5.67109 0.0 . 1 . . . B 36 G H1' . 25101 2 75 . 2 2 35 35 G H8 H 1 7.8436 0.0 . 1 . . . B 36 G H8 . 25101 2 76 . 2 2 36 36 G H1' H 1 5.80418 0.0 . 1 . . . B 37 G H1' . 25101 2 77 . 2 2 36 36 G H8 H 1 7.96688 0.0 . 1 . . . B 37 G H8 . 25101 2 78 . 2 2 37 37 U H1' H 1 5.58082 0.0 . 1 . . . B 38 U H1' . 25101 2 79 . 2 2 37 37 U H5 H 1 5.69087 0.0 . 1 . . . B 38 U H5 . 25101 2 80 . 2 2 37 37 U H6 H 1 7.713075 0.0 . 1 . . . B 38 U H6 . 25101 2 81 . 2 2 38 38 G H1' H 1 5.54674 0.0 . 1 . . . B 39 G H1' . 25101 2 82 . 2 2 38 38 G H8 H 1 7.78508 0.0 . 1 . . . B 39 G H8 . 25101 2 83 . 2 2 39 39 C H1' H 1 5.581175 0.0 . 1 . . . B 40 C H1' . 25101 2 84 . 2 2 39 39 C H5 H 1 5.30158 0.0 . 1 . . . B 40 C H5 . 25101 2 85 . 2 2 39 39 C H6 H 1 7.65534333333 0.0 . 1 . . . B 40 C H6 . 25101 2 86 . 2 2 40 40 G H1' H 1 5.754035 0.0 . 1 . . . B 41 G H1' . 25101 2 87 . 2 2 40 40 G H8 H 1 7.573215 0.0 . 1 . . . B 41 G H8 . 25101 2 88 . 2 2 41 41 A H1' H 1 5.9304 0.0 . 1 . . . B 42 A H1' . 25101 2 89 . 2 2 41 41 A H2 H 1 7.39625333333 0.0 . 1 . . . B 42 A H2 . 25101 2 90 . 2 2 41 41 A H8 H 1 7.74718 0.0 . 1 . . . B 42 A H8 . 25101 2 91 . 2 2 42 42 G H1' H 1 5.58054666667 0.0 . 1 . . . B 43 G H1' . 25101 2 92 . 2 2 42 42 G H8 H 1 7.09116 0.0 . 1 . . . B 43 G H8 . 25101 2 93 . 2 2 43 43 A H1' H 1 5.93344 0.0 . 1 . . . B 44 A H1' . 25101 2 94 . 2 2 43 43 A H2 H 1 7.67145 0.0 . 1 . . . B 44 A H2 . 25101 2 95 . 2 2 43 43 A H8 H 1 7.59865 0.0 . 1 . . . B 44 A H8 . 25101 2 96 . 2 2 44 44 G H1' H 1 5.852795 0.0 . 1 . . . B 45 G H1' . 25101 2 97 . 2 2 44 44 G H8 H 1 7.719785 0.0 . 1 . . . B 45 G H8 . 25101 2 98 . 2 2 45 45 G H1' H 1 5.76575 0.0 . 1 . . . B 46 G H1' . 25101 2 99 . 2 2 45 45 G H8 H 1 7.45647333333 0.0 . 1 . . . B 46 G H8 . 25101 2 100 . 2 2 47 47 C H1' H 1 6.09483 0.0 . 1 . . . B 48 C H1' . 25101 2 101 . 2 2 47 47 C H5 H 1 5.57618 0.0 . 1 . . . B 48 C H5 . 25101 2 102 . 2 2 47 47 C H6 H 1 7.75285 0.0 . 1 . . . B 48 C H6 . 25101 2 103 . 2 2 50 50 G H1' H 1 5.741685 0.0 . 1 . . . B 51 G H1' . 25101 2 104 . 2 2 50 50 G H8 H 1 7.23671 0.0 . 1 . . . B 51 G H8 . 25101 2 105 . 2 2 51 51 G H1' H 1 5.74222 0.0 . 1 . . . B 52 G H1' . 25101 2 106 . 2 2 51 51 G H8 H 1 7.70075 0.0 . 1 . . . B 52 G H8 . 25101 2 107 . 2 2 52 52 G H1' H 1 5.76514 0.0 . 1 . . . B 53 G H1' . 25101 2 108 . 2 2 52 52 G H8 H 1 7.146312 0.0 . 1 . . . B 53 G H8 . 25101 2 109 . 2 2 53 53 U H1' H 1 5.75039 0.0 . 1 . . . B 54 U H1' . 25101 2 110 . 2 2 53 53 U H5 H 1 5.24906 0.0 . 1 . . . B 54 U H5 . 25101 2 111 . 2 2 53 53 U H6 H 1 7.5380275 0.0 . 1 . . . B 54 U H6 . 25101 2 112 . 2 2 54 54 U H1' H 1 5.73517 0.0 . 1 . . . B 55 U H1' . 25101 2 113 . 2 2 54 54 U H5 H 1 5.72807 0.0 . 1 . . . B 55 U H5 . 25101 2 114 . 2 2 54 54 U H6 H 1 7.745795 0.0 . 1 . . . B 55 U H6 . 25101 2 115 . 2 2 55 55 C H1' H 1 5.83252 0.0 . 1 . . . B 56 C H1' . 25101 2 116 . 2 2 55 55 C H5 H 1 5.97473 0.0 . 1 . . . B 56 C H5 . 25101 2 117 . 2 2 55 55 C H6 H 1 7.91932333333 0.0 . 1 . . . B 56 C H6 . 25101 2 118 . 2 2 56 56 A H1' H 1 5.75172 0.0 . 1 . . . B 57 A H1' . 25101 2 119 . 2 2 56 56 A H2 H 1 7.98858 0.0 . 1 . . . B 57 A H2 . 25101 2 120 . 2 2 56 56 A H8 H 1 8.089726 0.0 . 1 . . . B 57 A H8 . 25101 2 121 . 2 2 57 57 A H1' H 1 6.152935 0.0 . 1 . . . B 58 A H1' . 25101 2 122 . 2 2 57 57 A H2 H 1 8.06238 0.0 . 1 . . . B 58 A H2 . 25101 2 123 . 2 2 57 57 A H8 H 1 8.46881 0.0 . 1 . . . B 58 A H8 . 25101 2 124 . 2 2 58 58 A H1' H 1 5.95892 0.0 . 1 . . . B 59 A H1' . 25101 2 125 . 2 2 58 58 A H2 H 1 7.928695 0.0 . 1 . . . B 59 A H2 . 25101 2 126 . 2 2 58 58 A H8 H 1 8.27152 0.0 . 1 . . . B 59 A H8 . 25101 2 127 . 2 2 59 59 U H1' H 1 6.01073 0.0 . 1 . . . B 60 U H1' . 25101 1 128 . 2 2 59 59 U H5 H 1 5.91826 0.0 . 1 . . . B 60 U H5 . 25101 1 129 . 2 2 59 59 U H6 H 1 7.8681525 0.0 . 1 . . . B 60 U H6 . 25101 1 130 . 2 2 60 60 C H1' H 1 5.32931 0.0 . 1 . . . B 61 C H1' . 25101 1 131 . 2 2 60 60 C H5 H 1 5.684595 0.0 . 1 . . . B 61 C H5 . 25101 1 132 . 2 2 60 60 C H6 H 1 7.790755 0.0 . 1 . . . B 61 C H6 . 25101 1 133 . 2 2 61 61 C H1' H 1 5.59603 0.0 . 1 . . . B 62 C H1' . 25101 1 134 . 2 2 61 61 C H5 H 1 5.5388 0.0 . 1 . . . B 62 C H5 . 25101 1 135 . 2 2 61 61 C H6 H 1 7.89030333333 0.0 . 1 . . . B 62 C H6 . 25101 1 136 . 2 2 63 63 G H1' H 1 5.70305 0.0 . 1 . . . B 64 G H1' . 25101 1 137 . 2 2 64 64 G H1' H 1 5.69597666667 0.0 . 1 . . . B 65 G H1' . 25101 1 138 . 2 2 64 64 G H8 H 1 7.2041 0.0 . 1 . . . B 65 G H8 . 25101 1 139 . 2 2 65 65 A H1' H 1 5.95888666667 0.0 . 1 . . . B 66 A H1' . 25101 1 140 . 2 2 65 65 A H2 H 1 7.80721 0.0 . 1 . . . B 66 A H2 . 25101 1 141 . 2 2 65 65 A H8 H 1 7.76927 0.0 . 1 . . . B 66 A H8 . 25101 1 142 . 2 2 66 66 C H1' H 1 5.470735 0.0 . 1 . . . B 67 C H1' . 25101 1 143 . 2 2 66 66 C H5 H 1 5.28384 0.0 . 1 . . . B 67 C H5 . 25101 1 144 . 2 2 66 66 C H6 H 1 7.498345 0.0 . 1 . . . B 67 C H6 . 25101 1 145 . 2 2 70 70 C H5 H 1 5.48187 0.0 . 1 . . . B 71 C H5 . 25101 1 146 . 2 2 70 70 C H6 H 1 7.65959 0.0 . 1 . . . B 71 C H6 . 25101 1 147 . 2 2 71 71 C H5 H 1 5.47057 0.0 . 1 . . . B 72 C H5 . 25101 1 148 . 2 2 71 71 C H6 H 1 7.83234 0.0 . 1 . . . B 72 C H6 . 25101 1 stop_ save_ save_assigned_chem_shift_list_2_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 3 _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_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 9 '2D NOESY' . . . 25101 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 G C8 C 13 139.3 0 . 1 . . . B 1 G C8 . 25101 3 2 . 2 2 4 4 U C1' C 13 96.3 0 . 1 . . . B 4 U C1' . 25101 3 3 . 2 2 9 9 G C8 C 13 135.59 0 . 1 . . . B 9 G C8 . 25101 3 4 . 2 2 10 10 G C8 C 13 135.6 0 . 1 . . . B 10 G C8 . 25101 3 5 . 2 2 11 11 U C1' C 13 95.93 0 . 1 . . . B 11 U C1' . 25101 3 6 . 2 2 13 13 U C1' C 13 96.15 0 . 1 . . . B 13 U C1' . 25101 3 7 . 2 2 15 15 G C8 C 13 136.96 0 . 1 . . . B 15 G C8 . 25101 3 8 . 2 2 16 16 G C8 C 13 140.63 0 . 1 . . . B 16 G C8 . 25101 3 9 . 2 2 17 17 G C8 C 13 138.05 0 . 1 . . . B 18 G C8 . 25101 3 10 . 2 2 21 21 U C1' C 13 94.22 0 . 1 . . . B 22 U C1' . 25101 3 11 . 2 2 24 24 U C1' C 13 93.5 0 . 1 . . . B 25 U C1' . 25101 3 12 . 2 2 25 25 U C1' C 13 96.18 0 . 1 . . . B 26 U C1' . 25101 3 13 . 2 2 27 27 U C1' C 13 96.27 0 . 1 . . . B 28 U C1' . 25101 3 14 . 2 2 29 29 G C8 C 13 135.98 0 . 1 . . . B 30 G C8 . 25101 3 15 . 2 2 31 31 U C1' C 13 94.45 0 . 1 . . . B 32 U C1' . 25101 3 16 . 2 2 32 32 U C1' C 13 95.39 0 . 1 . . . B 33 U C1' . 25101 3 17 . 2 2 34 34 G C8 C 13 140.07 0 . 1 . . . B 35 G C8 . 25101 3 18 . 2 2 35 35 G C8 C 13 139.76 0 . 1 . . . B 36 G C8 . 25101 3 19 . 2 2 36 36 G C8 C 13 140.1 0 . 1 . . . B 37 G C8 . 25101 3 20 . 2 2 37 37 U C1' C 13 96.26 0 . 1 . . . B 38 U C1' . 25101 3 21 . 2 2 38 38 G C8 C 13 137.11 0 . 1 . . . B 39 G C8 . 25101 3 22 . 2 2 42 42 G C8 C 13 135.61 0 . 1 . . . B 43 G C8 . 25101 3 23 . 2 2 44 44 G C8 C 13 138.32 0 . 1 . . . B 45 G C8 . 25101 3 24 . 2 2 45 45 G C8 C 13 137.33 0 . 1 . . . B 46 G C8 . 25101 3 25 . 2 2 46 46 U C1' C 13 93.76 0 . 1 . . . B 47 U C1' . 25101 3 26 . 2 2 50 50 G C8 C 13 136.02 0 . 1 . . . B 51 G C8 . 25101 3 27 . 2 2 52 52 G C8 C 13 135.96 0 . 1 . . . B 53 G C8 . 25101 3 28 . 2 2 53 53 U C1' C 13 94.49 0 . 1 . . . B 54 U C1' . 25101 3 29 . 2 2 54 54 U C1' C 13 93.32 0 . 1 . . . B 55 U C1' . 25101 3 30 . 2 2 59 59 U C1' C 13 93.07 0 . 1 . . . B 60 U C1' . 25101 3 31 . 2 2 64 64 G C8 C 13 135.99 0 . 1 . . . B 65 G C8 . 25101 3 32 . 2 2 67 67 G C8 C 13 136.01 0 . 1 . . . B 68 G C8 . 25101 3 33 . 2 2 69 69 G C8 C 13 135.96 0 . 1 . . . B 70 G C8 . 25101 3 stop_ save_ save_assigned_chem_shift_list_2_dup_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup_dup_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 4 _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_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 10 '2D NOESY' . . . 25101 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 6 6 G H1' H 1 5.55020625 0.0 . 1 . . . B 6 G H1' . 25101 4 2 . 2 2 6 6 G H2' H 1 3.53274 0.0 . 1 . . . B 6 G H2' . 25101 4 3 . 2 2 6 6 G H3' H 1 4.268976 0.0 . 1 . . . B 6 G H3' . 25101 4 4 . 2 2 6 6 G H5' H 1 3.82485 0.0 . 2 . . . B 6 G H5' . 25101 4 5 . 2 2 6 6 G H5'' H 1 4.03537 0.0 . 2 . . . B 6 G H5'' . 25101 4 6 . 2 2 6 6 G H8 H 1 7.72087 0.0 . 1 . . . B 6 G H8 . 25101 4 7 . 2 2 7 7 U H1' H 1 5.78417722222 0.0 . 1 . . . B 7 U H1' . 25101 4 8 . 2 2 7 7 U H2' H 1 4.1024125 0.0 . 1 . . . B 7 U H2' . 25101 4 9 . 2 2 7 7 U H3' H 1 4.3081375 0.0 . 1 . . . B 7 U H3' . 25101 4 10 . 2 2 7 7 U H4' H 1 4.57903 0.0 . 1 . . . B 7 U H4' . 25101 4 11 . 2 2 7 7 U H5 H 1 5.84887818182 0.0 . 1 . . . B 7 U H5 . 25101 4 12 . 2 2 7 7 U H5' H 1 3.834744 0.0 . 2 . . . B 7 U H5' . 25101 4 13 . 2 2 7 7 U H5'' H 1 3.92492 0.0 . 2 . . . B 7 U H5'' . 25101 4 14 . 2 2 7 7 U H6 H 1 7.76035214286 0.0 . 1 . . . B 7 U H6 . 25101 4 15 . 2 2 8 8 U H1' H 1 5.713719 0.0 . 1 . . . B 8 U H1' . 25101 4 16 . 2 2 8 8 U H2' H 1 4.061845 0.0 . 1 . . . B 8 U H2' . 25101 4 17 . 2 2 8 8 U H3' H 1 4.23449666667 0.0 . 1 . . . B 8 U H3' . 25101 4 18 . 2 2 8 8 U H4' H 1 4.23824666667 0.0 . 1 . . . B 8 U H4' . 25101 4 19 . 2 2 8 8 U H5 H 1 5.616590625 0.0 . 1 . . . B 8 U H5 . 25101 4 20 . 2 2 8 8 U H5' H 1 3.83183 0.0 . 2 . . . B 8 U H5' . 25101 4 21 . 2 2 8 8 U H6 H 1 7.5198025 0.0 . 1 . . . B 8 U H6 . 25101 4 22 . 2 2 9 9 G H1' H 1 5.286549 0.0 . 1 . . . B 9 G H1' . 25101 4 23 . 2 2 9 9 G H2' H 1 4.27899 0.0 . 1 . . . B 9 G H2' . 25101 4 24 . 2 2 9 9 G H3' H 1 4.24854 0.0 . 1 . . . B 9 G H3' . 25101 4 25 . 2 2 9 9 G H4' H 1 3.93692 0.0 . 1 . . . B 9 G H4' . 25101 4 26 . 2 2 9 9 G H5' H 1 3.80757 0.0 . 2 . . . B 9 G H5' . 25101 4 27 . 2 2 9 9 G H5'' H 1 3.89628 0.0 . 2 . . . B 9 G H5'' . 25101 4 28 . 2 2 9 9 G H8 H 1 7.6518565 0.0 . 1 . . . B 9 G H8 . 25101 4 stop_ save_