data_7308 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment and RDCs of L11 in complex with RNA and thiostrepton ; _BMRB_accession_number 7308 _BMRB_flat_file_name bmr7308.str _Entry_type original _Submission_date 2006-09-28 _Accession_date 2006-09-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone 1H, 13C, and 15N chemical shift assignment and Residual Dipolar Coupling data of L11 from Thermotoga maritima in complex with its cognate RNA and thiostrepton ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jonker Henry . . 2 Ilin Serge . . 3 Grimm Steffen . . 4 Wohnert Jens . . 5 Schwalbe Harald . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "13C chemical shifts" 354 "15N chemical shifts" 127 "residual dipolar couplings" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-12-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4965 'Free L11 of Thermus thermophilus' 5513 'Free L11 of Thermotoga maritima' 7307 'L11-RNA complex' stop_ _Original_release_date 2006-09-28 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; L11 domain rearrangement upon binding to RNA and thiostrepton studied by NMR spectroscopy. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17169991 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jonker Henry R. . 2 Ilin Serge . . 3 Grimm Steffen K. . 4 Wohnert Jens . . 5 Schwalbe Harald . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 35 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 441 _Page_last 454 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'L11-RNA-thiostrepton complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'L11 protein' $L11 'GAR RNA' $RNA Thiostrepton $Thiostrepton stop_ _System_molecular_weight 36011 _System_physical_state native _System_oligomer_state 'protein-RNA complex' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'Complex between the ribosomal protein L11, its RNA binding domain and the thiostrepton antibiotic' save_ ######################## # Monomeric polymers # ######################## save_L11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribosomal L11 protein' _Molecular_mass 15088 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MAKKVAAQIKLQLPAGKATP APPVGPALGQHGVNIMEFCK RFNAETADKAGMILPVVITV YEDKSFTFIIKTPPASFLLK KAAGIEKGSSEPKRKIVGKV TRKQIEEIAKTKMPDLNANS LEAAMKIIEGTAKSMGIEVV D ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 LYS 5 VAL 6 ALA 7 ALA 8 GLN 9 ILE 10 LYS 11 LEU 12 GLN 13 LEU 14 PRO 15 ALA 16 GLY 17 LYS 18 ALA 19 THR 20 PRO 21 ALA 22 PRO 23 PRO 24 VAL 25 GLY 26 PRO 27 ALA 28 LEU 29 GLY 30 GLN 31 HIS 32 GLY 33 VAL 34 ASN 35 ILE 36 MET 37 GLU 38 PHE 39 CYS 40 LYS 41 ARG 42 PHE 43 ASN 44 ALA 45 GLU 46 THR 47 ALA 48 ASP 49 LYS 50 ALA 51 GLY 52 MET 53 ILE 54 LEU 55 PRO 56 VAL 57 VAL 58 ILE 59 THR 60 VAL 61 TYR 62 GLU 63 ASP 64 LYS 65 SER 66 PHE 67 THR 68 PHE 69 ILE 70 ILE 71 LYS 72 THR 73 PRO 74 PRO 75 ALA 76 SER 77 PHE 78 LEU 79 LEU 80 LYS 81 LYS 82 ALA 83 ALA 84 GLY 85 ILE 86 GLU 87 LYS 88 GLY 89 SER 90 SER 91 GLU 92 PRO 93 LYS 94 ARG 95 LYS 96 ILE 97 VAL 98 GLY 99 LYS 100 VAL 101 THR 102 ARG 103 LYS 104 GLN 105 ILE 106 GLU 107 GLU 108 ILE 109 ALA 110 LYS 111 THR 112 LYS 113 MET 114 PRO 115 ASP 116 LEU 117 ASN 118 ALA 119 ASN 120 SER 121 LEU 122 GLU 123 ALA 124 ALA 125 MET 126 LYS 127 ILE 128 ILE 129 GLU 130 GLY 131 THR 132 ALA 133 LYS 134 SER 135 MET 136 GLY 137 ILE 138 GLU 139 VAL 140 VAL 141 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common '23S GAR RNA' _Molecular_mass 19258 _Mol_thiol_state 'not present' _Details . _Residue_count 60 _Mol_residue_sequence ; GGGCAGGAUGUAGGCUUAGA AGCAGCCAUCAUUUAAAGAA AGCGUAAUAGCUCACUGCCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 C 5 A 6 G 7 G 8 A 9 U 10 G 11 U 12 A 13 G 14 G 15 C 16 U 17 U 18 A 19 G 20 A 21 A 22 G 23 C 24 A 25 G 26 C 27 C 28 A 29 U 30 C 31 A 32 U 33 U 34 U 35 A 36 A 37 A 38 G 39 A 40 A 41 A 42 G 43 C 44 G 45 U 46 A 47 A 48 U 49 A 50 G 51 C 52 U 53 C 54 A 55 C 56 U 57 G 58 C 59 C 60 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Thiostrepton _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Thiostrepton antibiotic' _Molecular_mass 1665 _Mol_thiol_state 'not available' _Details . _Residue_count 15 _Mol_residue_sequence ; XTXXXXXIAXAXXXX ; loop_ _Residue_seq_code _Residue_label 1 TZO 2 THR 3 TZB 4 TSI 5 TZO 6 XAA 7 QUA 8 ILE 9 ALA 10 DHA 11 ALA 12 XBB 13 TZO 14 DHA 15 PYT stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_TZO _Saveframe_category polymer_residue _Mol_type 'l-peptide linking' _Name_common '1,3-THIAZOLE-4-CARBOXYLIC ACID' _BMRB_code . _PDB_code TZO _Standard_residue_derivative . _Molecular_mass 129.137 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:03:21 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? N1 N1 N . 0 . ? S3 S3 S . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? C6 C6 C . 0 . ? O7 O7 O . 0 . ? O61 O61 O . 0 . ? HC21 HC21 H . 0 . ? HC41 HC41 H . 0 . ? HO' HO' H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C2 N1 ? ? SING C2 S3 ? ? SING C2 HC21 ? ? SING N1 C5 ? ? SING S3 C4 ? ? DOUB C5 C4 ? ? SING C5 C6 ? ? SING C4 HC41 ? ? DOUB C6 O7 ? ? SING C6 O61 ? ? SING O61 HO' ? ? stop_ save_ save_chem_comp_TZB _Saveframe_category polymer_residue _Mol_type 'l-peptide linking' _Name_common '(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID' _BMRB_code . _PDB_code TZB _Standard_residue_derivative . _Molecular_mass 186.231 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:10:11 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C31 C31 C . 0 . ? C41 C41 C . 0 . ? C21 C21 C . 0 . ? N N N . 0 . ? C2 C2 C . 0 . ? S6 S6 S . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? O7 O7 O . 0 . ? C6 C6 C . 0 . ? N1 N1 N . 0 . ? O71 O71 O . 0 . ? HC3 HC3 H . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HC3A HC3A H . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HC41 HC41 H . 0 . ? HC42 HC42 H . 0 . ? HC5 HC5 H . 0 . ? HO' HO' H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C31 C41 ? ? DOUB C31 C21 ? ? SING C31 HC3 ? ? SING C41 HC1 ? ? SING C41 HC2 ? ? SING C41 HC3A ? ? SING C21 N ? ? SING C21 C2 ? ? SING N HN1 ? ? SING N HN2 ? ? SING C2 S6 ? ? DOUB C2 N1 ? ? SING S6 C4 ? ? SING C4 C5 ? ? SING C4 HC41 ? ? SING C4 HC42 ? ? SING C5 C6 ? ? SING C5 N1 ? ? SING C5 HC5 ? ? DOUB O7 C6 ? ? SING C6 O71 ? ? SING O71 HO' ? ? stop_ save_ save_chem_comp_TSI _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common (2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL _BMRB_code . _PDB_code TSI _Standard_residue_derivative . _Molecular_mass 119.162 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:12:06 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? N1 N1 N . 0 . ? C3 C3 C . 0 . ? C5 C5 C . 0 . ? O4 O4 O . 0 . ? C6 C6 C . 0 . ? C8 C8 C . 0 . ? O7 O7 O . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HN11 HN11 H . 0 . ? HN12 HN12 H . 0 . ? HC1A HC1A H . 0 . ? HC2A HC2A H . 0 . ? HC3 HC3 H . 0 . ? HO4 HO4 H . 0 . ? HC6 HC6 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? HO7 HO7 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C2 N1 ? ? SING C2 C3 ? ? SING C2 HC1 ? ? SING C2 HC2 ? ? SING N1 HN11 ? ? SING N1 HN12 ? ? SING C3 C5 ? ? SING C3 O4 ? ? SING C3 C6 ? ? SING C5 HC1A ? ? SING C5 HC2A ? ? SING C5 HC3 ? ? SING O4 HO4 ? ? SING C6 C8 ? ? SING C6 O7 ? ? SING C6 HC6 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? SING O7 HO7 ? ? stop_ save_ save_chem_comp_XAA _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common (1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)PROPAN-2-OL _BMRB_code . _PDB_code XAA _Standard_residue_derivative . _Molecular_mass 158.221 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:13:15 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C5 C5 C . 0 . ? N1 N1 N . 0 . ? C4 C4 C . 0 . ? C2 C2 C . 0 . ? S3 S3 S . 0 . ? C6 C6 C . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? O10 O10 O . 0 . ? HC5 HC5 H . 0 . ? HC4 HC4 H . 0 . ? HC6 HC6 H . 0 . ? HN71 HN71 H . 0 . ? HN72 HN72 H . 0 . ? HC8 HC8 H . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HC3 HC3 H . 0 . ? H10 H10 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C5 N1 ? ? DOUB C5 C4 ? ? SING C5 HC5 ? ? DOUB N1 C2 ? ? SING C4 S3 ? ? SING C4 HC4 ? ? SING C2 S3 ? ? SING C2 C6 ? ? SING C6 N7 ? ? SING C6 C8 ? ? SING C6 HC6 ? ? SING N7 HN71 ? ? SING N7 HN72 ? ? SING C8 C9 ? ? SING C8 O10 ? ? SING C8 HC8 ? ? SING C9 HC1 ? ? SING C9 HC2 ? ? SING C9 HC3 ? ? SING O10 H10 ? ? stop_ save_ save_chem_comp_QUA _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common '8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID' _BMRB_code . _PDB_code QUA _Standard_residue_derivative . _Molecular_mass 235.236 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:14:24 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O12 O12 O . 0 . ? C11 C11 C . 0 . ? C2 C2 C . 0 . ? N1 N1 N . 0 . ? C3 C3 C . 0 . ? C9 C9 C . 0 . ? C4 C4 C . 0 . ? C8 C8 C . 0 . ? C10 C10 C . 0 . ? O16 O16 O . 0 . ? C7 C7 C . 0 . ? C13 C13 C . 0 . ? O15 O15 O . 0 . ? C5 C5 C . 0 . ? C14 C14 C . 0 . ? C6 C6 C . 0 . ? O1' O1' O . 0 . ? HC3 HC3 H . 0 . ? HC8 HC8 H . 0 . ? H16 H16 H . 0 . ? HC71 HC71 H . 0 . ? HC72 HC72 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? HC5 HC5 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? HC6 HC6 H . 0 . ? H1' H1' H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB O12 C11 ? ? SING C11 C2 ? ? SING C11 O1' ? ? DOUB C2 N1 ? ? SING C2 C3 ? ? SING N1 C9 ? ? DOUB C3 C4 ? ? SING C3 HC3 ? ? SING C9 C8 ? ? DOUB C9 C10 ? ? SING C4 C10 ? ? SING C4 C13 ? ? SING C8 O16 ? ? SING C8 C7 ? ? SING C8 HC8 ? ? SING C10 C5 ? ? SING O16 H16 ? ? SING C7 C6 ? ? SING C7 HC71 ? ? SING C7 HC72 ? ? SING C13 O15 ? ? SING C13 C14 ? ? SING C13 H13 ? ? SING O15 H15 ? ? DOUB C5 C6 ? ? SING C5 HC5 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? SING C6 HC6 ? ? SING O1' H1' ? ? stop_ save_ save_chem_comp_DHA _Saveframe_category polymer_residue _Mol_type 'PEPTIDE LINKING' _Name_common '2-AMINO-ACRYLIC ACID' _BMRB_code . _PDB_code DHA _Standard_residue_derivative . _Molecular_mass 87.077 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:19:15 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? DOUB CA CB ? ? SING CA C ? ? SING CB HB1 ? ? SING CB HB2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ save_chem_comp_XBB _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common (3S)-2,3,4,5-TETRAHYDROPYRIDIN-3-AMINE _BMRB_code . _PDB_code XBB _Standard_residue_derivative . _Molecular_mass 98.146 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:21:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? N1 N1 N . 0 . ? C3 C3 C . 0 . ? C6 C6 C . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? N7 N7 N . 0 . ? HC2 HC2 H . 0 . ? HC31 HC31 H . 0 . ? HC32 HC32 H . 0 . ? HC61 HC61 H . 0 . ? HC62 HC62 H . 0 . ? HC5 HC5 H . 0 . ? HC41 HC41 H . 0 . ? HC42 HC42 H . 0 . ? HN71 HN71 H . 0 . ? HN72 HN72 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C2 N1 ? ? SING C2 C3 ? ? SING C2 HC2 ? ? SING N1 C6 ? ? SING C3 C4 ? ? SING C3 HC31 ? ? SING C3 HC32 ? ? SING C6 C5 ? ? SING C6 HC61 ? ? SING C6 HC62 ? ? SING C5 C4 ? ? SING C5 N7 ? ? SING C5 HC5 ? ? SING C4 HC41 ? ? SING C4 HC42 ? ? SING N7 HN71 ? ? SING N7 HN72 ? ? stop_ save_ save_chem_comp_PYT _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 2-AMINOPROP-2-ENAMIDE _BMRB_code . _PDB_code PYT _Standard_residue_derivative . _Molecular_mass 86.093 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:23:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? C C C . 0 . ? NT NT N . 0 . ? O O O . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HT1 HT1 H . 0 . ? HT2 HT2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N HN1 ? ? SING N HN2 ? ? DOUB CA CB ? ? SING CA C ? ? SING CB HC1 ? ? SING CB HC2 ? ? SING C NT ? ? DOUB C O ? ? SING NT HT1 ? ? SING NT HT2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L11 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima $RNA 'Escherichia coli' 562 Bacteria . Escherichia coli $Thiostrepton 'Streptomyces azureus' 146537 Bacteria . Streptomyces azureus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $L11 'recombinant technology' E.Coli . . . . $RNA 'in vitro transcription' . . . . . $Thiostrepton 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_L11+RNA+thiostrepton _Saveframe_category sample _Sample_type solution _Details 'ternary complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L11 0.3 mM '[U->95% 2D; U->98% 15N; U->98% 13C]' $RNA 0.3 mM . $Thiostrepton 0.3 mM . 'potassium phosphate' 20 mM . 'potassium chloride' 200 mM . complete . mM . superase . mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address 'Goddard et al.' . . stop_ loop_ _Task 'analysis & assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'Cryoprobe TXI z-gradient' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'TXI xyz-gradient' save_ ############################# # NMR applied experiments # ############################# save_2D_(1H,15N)HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H,15N)HSQC' _Sample_label $L11+RNA+thiostrepton save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $L11+RNA+thiostrepton save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $L11+RNA+thiostrepton save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $L11+RNA+thiostrepton save_ save_IPAP_(1H,15N)HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP (1H,15N)HSQC' _Sample_label $L11+RNA+thiostrepton save_ ####################### # Sample conditions # ####################### save_25C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.05 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Reference_correction_type H2O C 13 protons ppm 4.7 internal indirect . . . 0.251449530 temperature H2O H 1 protons ppm 4.7 internal direct . . . 1.000000000 temperature H2O N 15 protons ppm 4.7 internal indirect . . . 0.101329118 temperature 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_chem_shift_LRT _Saveframe_category assigned_chemical_shifts _Details L11+RNA+thiostrepton loop_ _Experiment_label '2D (1H,15N)HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $L11+RNA+thiostrepton stop_ _Sample_conditions_label $25C _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'L11 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA C C 171.0 . 1 2 2 2 ALA CA C 48.5 . 1 3 2 2 ALA CB C 15.8 . 1 4 3 3 LYS H H 8.30 . 1 5 3 3 LYS C C 173.3 . 1 6 3 3 LYS CA C 53.2 . 1 7 3 3 LYS CB C 30.2 . 1 8 3 3 LYS N N 121.4 . 1 9 4 4 LYS H H 8.72 . 1 10 4 4 LYS C C 173.7 . 1 11 4 4 LYS CA C 53.1 . 1 12 4 4 LYS CB C 29.8 . 1 13 4 4 LYS N N 124.2 . 1 14 5 5 VAL H H 8.56 . 1 15 5 5 VAL C C 173.0 . 1 16 5 5 VAL CA C 61.3 . 1 17 5 5 VAL CB C 29.4 . 1 18 5 5 VAL N N 126.2 . 1 19 6 6 ALA H H 9.47 . 1 20 6 6 ALA C C 174.6 . 1 21 6 6 ALA CA C 49.4 . 1 22 6 6 ALA N N 131.3 . 1 23 7 7 ALA H H 7.74 . 1 24 7 7 ALA C C 171.9 . 1 25 7 7 ALA CA C 48.7 . 1 26 7 7 ALA CB C 17.7 . 1 27 7 7 ALA N N 118.7 . 1 28 8 8 GLN H H 8.11 . 1 29 8 8 GLN C C 172.3 . 1 30 8 8 GLN CA C 51.7 . 1 31 8 8 GLN CB C 28.5 . 1 32 8 8 GLN N N 118.5 . 1 33 9 9 ILE H H 9.02 . 1 34 9 9 ILE C C 171.7 . 1 35 9 9 ILE CA C 57.1 . 1 36 9 9 ILE CB C 38.3 . 1 37 9 9 ILE N N 125.1 . 1 38 10 10 LYS H H 8.77 . 1 39 10 10 LYS C C 173.8 . 1 40 10 10 LYS CA C 52.4 . 1 41 10 10 LYS CB C 31.2 . 1 42 10 10 LYS N N 128.4 . 1 43 11 11 LEU H H 8.62 . 1 44 11 11 LEU C C 172.6 . 1 45 11 11 LEU CA C 50.4 . 1 46 11 11 LEU CB C 43.1 . 1 47 11 11 LEU N N 123.1 . 1 48 12 12 GLN H H 8.84 . 1 49 12 12 GLN C C 172.0 . 1 50 12 12 GLN CA C 51.9 . 1 51 12 12 GLN CB C 25.2 . 1 52 12 12 GLN N N 122.0 . 1 53 13 13 LEU H H 8.10 . 1 54 13 13 LEU CA C 48.1 . 1 55 13 13 LEU CB C 41.7 . 1 56 13 13 LEU N N 123.4 . 1 57 14 14 PRO C C 173.9 . 1 58 14 14 PRO CA C 58.5 . 1 59 15 15 ALA H H 8.21 . 1 60 15 15 ALA C C 176.5 . 1 61 15 15 ALA CA C 50.3 . 1 62 15 15 ALA CB C 16.5 . 1 63 15 15 ALA N N 127.7 . 1 64 16 16 GLY H H 8.23 . 1 65 16 16 GLY C C 171.2 . 1 66 16 16 GLY CA C 42.3 . 1 67 16 16 GLY N N 109.5 . 1 68 17 17 LYS H H 7.63 . 1 69 17 17 LYS C C 173.3 . 1 70 17 17 LYS CA C 51.6 . 1 71 17 17 LYS CB C 29.6 . 1 72 17 17 LYS N N 120.6 . 1 73 18 18 ALA H H 9.92 . 1 74 18 18 ALA C C 175.3 . 1 75 18 18 ALA CA C 50.5 . 1 76 18 18 ALA CB C 15.7 . 1 77 18 18 ALA N N 125.9 . 1 78 19 19 THR H H 7.82 . 1 79 19 19 THR CA C 56.7 . 1 80 19 19 THR CB C 67.0 . 1 81 19 19 THR N N 115.0 . 1 82 20 20 PRO C C 173.4 . 1 83 21 21 ALA H H 7.14 . 1 84 21 21 ALA CA C 48.2 . 1 85 21 21 ALA CB C 12.9 . 1 86 21 21 ALA N N 121.8 . 1 87 23 23 PRO C C 174.4 . 1 88 23 23 PRO CA C 60.9 . 1 89 24 24 VAL H H 7.83 . 1 90 24 24 VAL C C 174.4 . 1 91 24 24 VAL CA C 64.1 . 1 92 24 24 VAL CB C 28.9 . 1 93 24 24 VAL N N 126.4 . 1 94 25 25 GLY H H 6.60 . 1 95 25 25 GLY N N 103.4 . 1 96 26 26 PRO C C 176.1 . 1 97 27 27 ALA H H 6.89 . 1 98 27 27 ALA C C 176.6 . 1 99 27 27 ALA CA C 52.0 . 1 100 27 27 ALA N N 117.0 . 1 101 28 28 LEU H H 7.56 . 1 102 28 28 LEU C C 177.5 . 1 103 28 28 LEU CA C 54.6 . 1 104 28 28 LEU N N 115.3 . 1 105 29 29 GLY H H 9.09 . 1 106 29 29 GLY C C 174.8 . 1 107 29 29 GLY CA C 43.8 . 1 108 29 29 GLY N N 111.2 . 1 109 30 30 GLN H H 7.52 . 1 110 30 30 GLN C C 172.9 . 1 111 30 30 GLN CA C 54.8 . 1 112 30 30 GLN N N 119.0 . 1 113 31 31 HIS H H 6.96 . 1 114 31 31 HIS C C 171.8 . 1 115 31 31 HIS CA C 52.5 . 1 116 31 31 HIS N N 114.4 . 1 117 32 32 GLY H H 7.66 . 1 118 32 32 GLY C C 171.0 . 1 119 32 32 GLY CA C 43.1 . 1 120 32 32 GLY N N 108.1 . 1 121 33 33 VAL H H 7.12 . 1 122 33 33 VAL C C 172.4 . 1 123 33 33 VAL CA C 58.6 . 1 124 33 33 VAL N N 119.5 . 1 125 34 34 ASN H H 8.51 . 1 126 34 34 ASN C C 171.6 . 1 127 34 34 ASN CA C 50.7 . 1 128 34 34 ASN CB C 34.1 . 1 129 34 34 ASN N N 124.7 . 1 130 35 35 ILE H H 7.84 . 1 131 35 35 ILE C C 175.5 . 1 132 35 35 ILE CA C 62.1 . 1 133 35 35 ILE N N 129.9 . 1 134 36 36 MET H H 8.27 . 1 135 36 36 MET C C 176.4 . 1 136 36 36 MET CA C 54.3 . 1 137 36 36 MET N N 118.6 . 1 138 37 37 GLU H H 7.91 . 1 139 37 37 GLU C C 176.4 . 1 140 37 37 GLU CA C 56.2 . 1 141 37 37 GLU CB C 25.3 . 1 142 37 37 GLU N N 121.7 . 1 143 38 38 PHE H H 7.90 . 1 144 38 38 PHE C C 173.2 . 1 145 38 38 PHE CA C 58.9 . 1 146 38 38 PHE CB C 30.7 . 1 147 38 38 PHE N N 119.1 . 1 148 39 39 CYS H H 8.15 . 1 149 39 39 CYS C C 173.0 . 1 150 39 39 CYS CA C 61.8 . 1 151 39 39 CYS N N 117.0 . 1 152 40 40 LYS H H 8.12 . 1 153 40 40 LYS C C 177.3 . 1 154 40 40 LYS CA C 56.7 . 1 155 40 40 LYS CB C 28.6 . 1 156 40 40 LYS N N 118.3 . 1 157 41 41 ARG H H 7.84 . 1 158 41 41 ARG C C 176.1 . 1 159 41 41 ARG CA C 56.6 . 1 160 41 41 ARG N N 119.7 . 1 161 42 42 PHE H H 8.63 . 1 162 42 42 PHE C C 176.5 . 1 163 42 42 PHE CA C 59.2 . 1 164 42 42 PHE CB C 34.5 . 1 165 42 42 PHE N N 120.4 . 1 166 43 43 ASN H H 8.72 . 1 167 43 43 ASN C C 174.7 . 1 168 43 43 ASN CA C 52.9 . 1 169 43 43 ASN CB C 34.8 . 1 170 43 43 ASN N N 121.6 . 1 171 44 44 ALA H H 7.61 . 1 172 44 44 ALA C C 177.9 . 1 173 44 44 ALA CA C 51.6 . 1 174 44 44 ALA CB C 14.3 . 1 175 44 44 ALA N N 121.5 . 1 176 45 45 GLU H H 7.54 . 1 177 45 45 GLU C C 175.4 . 1 178 45 45 GLU CA C 54.9 . 1 179 45 45 GLU CB C 27.0 . 1 180 45 45 GLU N N 115.7 . 1 181 46 46 THR H H 7.16 . 1 182 46 46 THR C C 172.5 . 1 183 46 46 THR CA C 58.4 . 1 184 46 46 THR N N 104.9 . 1 185 47 47 ALA H H 7.05 . 1 186 47 47 ALA C C 176.1 . 1 187 47 47 ALA CA C 52.6 . 1 188 47 47 ALA CB C 15.2 . 1 189 47 47 ALA N N 126.1 . 1 190 48 48 ASP H H 8.39 . 1 191 48 48 ASP C C 173.9 . 1 192 48 48 ASP CA C 51.6 . 1 193 48 48 ASP CB C 36.1 . 1 194 48 48 ASP N N 114.4 . 1 195 49 49 LYS H H 7.57 . 1 196 49 49 LYS C C 171.1 . 1 197 49 49 LYS CA C 51.7 . 1 198 49 49 LYS CB C 29.0 . 1 199 49 49 LYS N N 121.5 . 1 200 50 50 ALA H H 6.75 . 1 201 50 50 ALA C C 175.3 . 1 202 50 50 ALA CA C 51.2 . 1 203 50 50 ALA CB C 15.0 . 1 204 50 50 ALA N N 120.1 . 1 205 51 51 GLY H H 9.06 . 1 206 51 51 GLY C C 172.4 . 1 207 51 51 GLY CA C 41.4 . 1 208 51 51 GLY N N 112.6 . 1 209 52 52 MET H H 7.90 . 1 210 52 52 MET CA C 51.5 . 1 211 52 52 MET CB C 30.8 . 1 212 52 52 MET N N 118.1 . 1 213 55 55 PRO C C 173.0 . 1 214 55 55 PRO CA C 58.1 . 1 215 55 55 PRO CB C 28.5 . 1 216 56 56 VAL H H 8.98 . 1 217 56 56 VAL C C 172.7 . 1 218 56 56 VAL CA C 55.7 . 1 219 56 56 VAL CB C 32.2 . 1 220 56 56 VAL N N 121.6 . 1 221 57 57 VAL H H 8.42 . 1 222 57 57 VAL C C 174.6 . 1 223 57 57 VAL CA C 58.4 . 1 224 57 57 VAL CB C 29.3 . 1 225 57 57 VAL N N 125.4 . 1 226 58 58 ILE H H 9.86 . 1 227 58 58 ILE C C 172.7 . 1 228 58 58 ILE CA C 57.6 . 1 229 58 58 ILE CB C 36.6 . 1 230 58 58 ILE N N 133.0 . 1 231 59 59 THR H H 9.37 . 1 232 59 59 THR C C 169.2 . 1 233 59 59 THR CA C 60.1 . 1 234 59 59 THR CB C 66.6 . 1 235 59 59 THR N N 126.6 . 1 236 60 60 VAL H H 8.56 . 1 237 60 60 VAL C C 173.1 . 1 238 60 60 VAL CA C 57.4 . 1 239 60 60 VAL CB C 29.0 . 1 240 60 60 VAL N N 126.1 . 1 241 61 61 TYR H H 8.75 . 1 242 61 61 TYR C C 175.7 . 1 243 61 61 TYR CA C 55.3 . 1 244 61 61 TYR CB C 36.0 . 1 245 61 61 TYR N N 127.0 . 1 246 62 62 GLU H H 8.75 . 1 247 62 62 GLU C C 173.2 . 1 248 62 62 GLU CA C 56.1 . 1 249 62 62 GLU CB C 25.8 . 1 250 62 62 GLU N N 120.9 . 1 251 63 63 ASP H H 7.70 . 1 252 63 63 ASP C C 174.1 . 1 253 63 63 ASP CA C 50.2 . 1 254 63 63 ASP CB C 36.1 . 1 255 63 63 ASP N N 117.3 . 1 256 64 64 LYS H H 8.27 . 1 257 64 64 LYS C C 172.9 . 1 258 64 64 LYS CA C 56.2 . 1 259 64 64 LYS CB C 24.8 . 1 260 64 64 LYS N N 113.4 . 1 261 65 65 SER H H 8.00 . 1 262 65 65 SER C C 170.0 . 1 263 65 65 SER CA C 56.1 . 1 264 65 65 SER CB C 61.3 . 1 265 65 65 SER N N 115.1 . 1 266 66 66 PHE H H 8.19 . 1 267 66 66 PHE C C 172.2 . 1 268 66 66 PHE CA C 53.4 . 1 269 66 66 PHE CB C 39.0 . 1 270 66 66 PHE N N 112.8 . 1 271 67 67 THR H H 9.09 . 1 272 67 67 THR C C 170.3 . 1 273 67 67 THR CA C 57.1 . 1 274 67 67 THR CB C 69.4 . 1 275 67 67 THR N N 113.2 . 1 276 68 68 PHE H H 8.56 . 1 277 68 68 PHE C C 170.5 . 1 278 68 68 PHE CA C 53.3 . 1 279 68 68 PHE CB C 39.5 . 1 280 68 68 PHE N N 116.1 . 1 281 69 69 ILE H H 8.27 . 1 282 69 69 ILE C C 171.6 . 1 283 69 69 ILE CA C 56.1 . 1 284 69 69 ILE CB C 38.5 . 1 285 69 69 ILE N N 117.4 . 1 286 70 70 ILE H H 8.59 . 1 287 70 70 ILE C C 173.8 . 1 288 70 70 ILE CA C 57.2 . 1 289 70 70 ILE CB C 35.6 . 1 290 70 70 ILE N N 124.7 . 1 291 71 71 LYS H H 8.53 . 1 292 71 71 LYS C C 173.3 . 1 293 71 71 LYS CA C 51.6 . 1 294 71 71 LYS CB C 29.7 . 1 295 71 71 LYS N N 128.4 . 1 296 72 72 THR H H 8.39 . 1 297 72 72 THR CA C 58.3 . 1 298 72 72 THR CB C 66.1 . 1 299 72 72 THR N N 111.0 . 1 300 74 74 PRO C C 175.0 . 1 301 74 74 PRO CA C 59.4 . 1 302 75 75 ALA H H 9.87 . 1 303 75 75 ALA C C 177.2 . 1 304 75 75 ALA CA C 53.3 . 1 305 75 75 ALA N N 128.9 . 1 306 76 76 SER H H 10.19 . 1 307 76 76 SER C C 173.6 . 1 308 76 76 SER CA C 57.3 . 1 309 76 76 SER CB C 67.2 . 1 310 76 76 SER N N 113.7 . 1 311 77 77 PHE H H 6.74 . 1 312 77 77 PHE C C 174.3 . 1 313 77 77 PHE CA C 58.6 . 1 314 77 77 PHE N N 124.3 . 1 315 78 78 LEU H H 8.06 . 1 316 78 78 LEU C C 178.2 . 1 317 78 78 LEU CA C 54.3 . 1 318 78 78 LEU CB C 38.3 . 1 319 78 78 LEU N N 119.2 . 1 320 79 79 LEU H H 8.56 . 1 321 79 79 LEU C C 175.3 . 1 322 79 79 LEU CA C 55.3 . 1 323 79 79 LEU CB C 38.6 . 1 324 79 79 LEU N N 122.0 . 1 325 80 80 LYS H H 7.57 . 1 326 80 80 LYS C C 176.1 . 1 327 80 80 LYS CA C 57.6 . 1 328 80 80 LYS N N 119.5 . 1 329 81 81 LYS H H 7.33 . 1 330 81 81 LYS C C 177.3 . 1 331 81 81 LYS CA C 54.5 . 1 332 81 81 LYS CB C 27.5 . 1 333 81 81 LYS N N 116.8 . 1 334 82 82 ALA H H 7.83 . 1 335 82 82 ALA C C 175.8 . 1 336 82 82 ALA CA C 51.5 . 1 337 82 82 ALA CB C 15.0 . 1 338 82 82 ALA N N 122.8 . 1 339 83 83 ALA H H 7.98 . 1 340 83 83 ALA C C 175.1 . 1 341 83 83 ALA CA C 48.8 . 1 342 83 83 ALA CB C 15.7 . 1 343 83 83 ALA N N 117.9 . 1 344 84 84 GLY H H 7.75 . 1 345 84 84 GLY C C 172.3 . 1 346 84 84 GLY CA C 43.3 . 1 347 84 84 GLY N N 109.2 . 1 348 85 85 ILE H H 7.67 . 1 349 85 85 ILE C C 172.2 . 1 350 85 85 ILE CA C 56.1 . 1 351 85 85 ILE CB C 37.4 . 1 352 85 85 ILE N N 111.9 . 1 353 86 86 GLU H H 8.40 . 1 354 86 86 GLU C C 174.1 . 1 355 86 86 GLU CA C 53.8 . 1 356 86 86 GLU CB C 27.4 . 1 357 86 86 GLU N N 119.0 . 1 358 87 87 LYS H H 7.30 . 1 359 87 87 LYS C C 173.7 . 1 360 87 87 LYS CA C 51.2 . 1 361 87 87 LYS CB C 32.9 . 1 362 87 87 LYS N N 117.2 . 1 363 88 88 GLY H H 8.96 . 1 364 88 88 GLY C C 169.7 . 1 365 88 88 GLY CA C 40.5 . 1 366 88 88 GLY N N 107.6 . 1 367 89 89 SER H H 7.72 . 1 368 89 89 SER C C 174.5 . 1 369 89 89 SER CA C 54.9 . 1 370 89 89 SER CB C 62.2 . 1 371 89 89 SER N N 109.8 . 1 372 90 90 SER H H 8.64 . 1 373 90 90 SER C C 172.5 . 1 374 90 90 SER CA C 57.5 . 1 375 90 90 SER CB C 62.4 . 1 376 90 90 SER N N 121.9 . 1 377 91 91 GLU H H 8.07 . 1 378 91 91 GLU CA C 50.3 . 1 379 91 91 GLU CB C 28.6 . 1 380 91 91 GLU N N 120.1 . 1 381 92 92 PRO C C 171.7 . 1 382 93 93 LYS H H 8.71 . 1 383 93 93 LYS C C 174.4 . 1 384 93 93 LYS CA C 52.4 . 1 385 93 93 LYS CB C 30.9 . 1 386 93 93 LYS N N 128.4 . 1 387 94 94 ARG H H 7.88 . 1 388 94 94 ARG C C 174.1 . 1 389 94 94 ARG CA C 54.8 . 1 390 94 94 ARG CB C 27.8 . 1 391 94 94 ARG N N 119.5 . 1 392 95 95 LYS H H 8.57 . 1 393 95 95 LYS C C 171.9 . 1 394 95 95 LYS CA C 52.1 . 1 395 95 95 LYS CB C 30.1 . 1 396 95 95 LYS N N 120.3 . 1 397 96 96 ILE H H 8.67 . 1 398 96 96 ILE C C 175.6 . 1 399 96 96 ILE CA C 55.2 . 1 400 96 96 ILE CB C 32.5 . 1 401 96 96 ILE N N 129.3 . 1 402 97 97 VAL H H 9.07 . 1 403 97 97 VAL C C 172.8 . 1 404 97 97 VAL CA C 57.7 . 1 405 97 97 VAL N N 119.5 . 1 406 98 98 GLY H H 7.51 . 1 407 98 98 GLY C C 167.1 . 1 408 98 98 GLY CA C 42.0 . 1 409 98 98 GLY N N 108.0 . 1 410 99 99 LYS H H 8.75 . 1 411 99 99 LYS C C 172.1 . 1 412 99 99 LYS CA C 51.5 . 1 413 99 99 LYS CB C 32.7 . 1 414 99 99 LYS N N 119.0 . 1 415 100 100 VAL H H 8.51 . 1 416 100 100 VAL C C 171.8 . 1 417 100 100 VAL CA C 55.2 . 1 418 100 100 VAL CB C 32.2 . 1 419 100 100 VAL N N 113.7 . 1 420 101 101 THR H H 8.85 . 1 421 101 101 THR C C 174.7 . 1 422 101 101 THR CA C 56.7 . 1 423 101 101 THR CB C 68.7 . 1 424 101 101 THR N N 112.2 . 1 425 102 102 ARG H H 8.55 . 1 426 102 102 ARG C C 176.2 . 1 427 102 102 ARG CA C 56.7 . 1 428 102 102 ARG CB C 25.5 . 1 429 102 102 ARG N N 121.7 . 1 430 103 103 LYS H H 8.16 . 1 431 103 103 LYS C C 176.5 . 1 432 103 103 LYS CA C 55.5 . 1 433 103 103 LYS CB C 27.9 . 1 434 103 103 LYS N N 120.4 . 1 435 104 104 GLN H H 7.73 . 1 436 104 104 GLN C C 176.9 . 1 437 104 104 GLN CA C 56.4 . 1 438 104 104 GLN N N 119.9 . 1 439 105 105 ILE H H 8.04 . 1 440 105 105 ILE C C 174.8 . 1 441 105 105 ILE CA C 59.8 . 1 442 105 105 ILE CB C 30.6 . 1 443 105 105 ILE N N 120.3 . 1 444 106 106 GLU H H 8.34 . 1 445 106 106 GLU C C 175.0 . 1 446 106 106 GLU CA C 57.1 . 1 447 106 106 GLU CB C 26.2 . 1 448 106 106 GLU N N 122.7 . 1 449 107 107 GLU H H 7.84 . 1 450 107 107 GLU C C 177.4 . 1 451 107 107 GLU CA C 56.3 . 1 452 107 107 GLU CB C 26.0 . 1 453 107 107 GLU N N 118.5 . 1 454 108 108 ILE H H 8.18 . 1 455 108 108 ILE C C 174.8 . 1 456 108 108 ILE CA C 63.1 . 1 457 108 108 ILE CB C 34.7 . 1 458 108 108 ILE N N 122.4 . 1 459 109 109 ALA H H 8.81 . 1 460 109 109 ALA C C 176.0 . 1 461 109 109 ALA CA C 52.6 . 1 462 109 109 ALA CB C 14.7 . 1 463 109 109 ALA N N 123.1 . 1 464 110 110 LYS H H 8.21 . 1 465 110 110 LYS C C 177.3 . 1 466 110 110 LYS CA C 57.4 . 1 467 110 110 LYS CB C 28.9 . 1 468 110 110 LYS N N 115.5 . 1 469 111 111 THR H H 8.00 . 1 470 111 111 THR C C 172.8 . 1 471 111 111 THR CA C 63.8 . 1 472 111 111 THR CB C 65.4 . 1 473 111 111 THR N N 118.1 . 1 474 112 112 LYS H H 8.11 . 1 475 112 112 LYS C C 174.0 . 1 476 112 112 LYS CA C 53.0 . 1 477 112 112 LYS N N 115.4 . 1 478 113 113 MET H H 7.43 . 1 479 113 113 MET CA C 56.7 . 1 480 113 113 MET CB C 26.4 . 1 481 113 113 MET N N 121.1 . 1 482 114 114 PRO C C 174.8 . 1 483 114 114 PRO CA C 63.2 . 1 484 115 115 ASP H H 8.42 . 1 485 115 115 ASP C C 172.5 . 1 486 115 115 ASP CA C 51.4 . 1 487 115 115 ASP CB C 39.6 . 1 488 115 115 ASP N N 114.5 . 1 489 116 116 LEU H H 7.72 . 1 490 116 116 LEU C C 173.8 . 1 491 116 116 LEU CA C 49.8 . 1 492 116 116 LEU CB C 40.5 . 1 493 116 116 LEU N N 117.8 . 1 494 117 117 ASN H H 7.72 . 1 495 117 117 ASN C C 172.2 . 1 496 117 117 ASN CA C 48.5 . 1 497 117 117 ASN CB C 34.3 . 1 498 117 117 ASN N N 116.8 . 1 499 118 118 ALA H H 6.11 . 1 500 118 118 ALA C C 174.3 . 1 501 118 118 ALA N N 119.8 . 1 502 119 119 ASN H H 8.94 . 1 503 119 119 ASN C C 171.8 . 1 504 119 119 ASN CA C 49.0 . 1 505 119 119 ASN CB C 35.6 . 1 506 119 119 ASN N N 117.1 . 1 507 120 120 SER H H 7.22 . 1 508 120 120 SER C C 171.3 . 1 509 120 120 SER CA C 53.6 . 1 510 120 120 SER CB C 63.0 . 1 511 120 120 SER N N 111.3 . 1 512 121 121 LEU H H 8.90 . 1 513 121 121 LEU C C 175.6 . 1 514 121 121 LEU CA C 54.5 . 1 515 121 121 LEU CB C 37.5 . 1 516 121 121 LEU N N 124.9 . 1 517 122 122 GLU H H 8.86 . 1 518 122 122 GLU C C 176.5 . 1 519 122 122 GLU CA C 57.3 . 1 520 122 122 GLU CB C 25.0 . 1 521 122 122 GLU N N 119.4 . 1 522 123 123 ALA H H 7.52 . 1 523 123 123 ALA C C 176.5 . 1 524 123 123 ALA CA C 51.8 . 1 525 123 123 ALA N N 121.6 . 1 526 124 124 ALA H H 7.78 . 1 527 124 124 ALA C C 176.8 . 1 528 124 124 ALA CA C 51.8 . 1 529 124 124 ALA CB C 16.4 . 1 530 124 124 ALA N N 120.3 . 1 531 125 125 MET H H 8.55 . 1 532 125 125 MET C C 175.4 . 1 533 125 125 MET CA C 57.4 . 1 534 125 125 MET N N 116.9 . 1 535 126 126 LYS H H 7.27 . 1 536 126 126 LYS C C 176.9 . 1 537 126 126 LYS CA C 57.3 . 1 538 126 126 LYS CB C 28.9 . 1 539 126 126 LYS N N 119.3 . 1 540 127 127 ILE H H 7.53 . 1 541 127 127 ILE C C 174.3 . 1 542 127 127 ILE CA C 62.9 . 1 543 127 127 ILE CB C 35.2 . 1 544 127 127 ILE N N 121.7 . 1 545 128 128 ILE H H 7.90 . 1 546 128 128 ILE C C 177.0 . 1 547 128 128 ILE CA C 58.9 . 1 548 128 128 ILE CB C 28.3 . 1 549 128 128 ILE N N 119.4 . 1 550 129 129 GLU H H 8.78 . 1 551 129 129 GLU C C 175.8 . 1 552 129 129 GLU CA C 57.1 . 1 553 129 129 GLU CB C 25.2 . 1 554 129 129 GLU N N 121.0 . 1 555 130 130 GLY H H 7.91 . 1 556 130 130 GLY C C 175.9 . 1 557 130 130 GLY CA C 44.5 . 1 558 130 130 GLY N N 108.3 . 1 559 131 131 THR H H 7.70 . 1 560 131 131 THR C C 175.6 . 1 561 131 131 THR CA C 64.0 . 1 562 131 131 THR N N 122.4 . 1 563 132 132 ALA H H 8.23 . 1 564 132 132 ALA C C 176.4 . 1 565 132 132 ALA CA C 54.1 . 1 566 132 132 ALA CB C 12.0 . 1 567 132 132 ALA N N 129.9 . 1 568 133 133 LYS H H 8.08 . 1 569 133 133 LYS C C 176.2 . 1 570 133 133 LYS CA C 56.3 . 1 571 133 133 LYS CB C 29.2 . 1 572 133 133 LYS N N 116.9 . 1 573 134 134 SER H H 7.37 . 1 574 134 134 SER C C 170.3 . 1 575 134 134 SER CA C 57.3 . 1 576 134 134 SER N N 116.5 . 1 577 135 135 MET H H 7.30 . 1 578 135 135 MET C C 173.8 . 1 579 135 135 MET CA C 51.7 . 1 580 135 135 MET N N 112.8 . 1 581 136 136 GLY H H 7.78 . 1 582 136 136 GLY C C 170.2 . 1 583 136 136 GLY CA C 43.9 . 1 584 136 136 GLY N N 108.4 . 1 585 137 137 ILE H H 7.28 . 1 586 137 137 ILE C C 172.4 . 1 587 137 137 ILE CA C 56.3 . 1 588 137 137 ILE CB C 36.1 . 1 589 137 137 ILE N N 118.8 . 1 590 138 138 GLU H H 8.33 . 1 591 138 138 GLU C C 171.6 . 1 592 138 138 GLU CA C 51.8 . 1 593 138 138 GLU CB C 28.2 . 1 594 138 138 GLU N N 128.5 . 1 595 139 139 VAL H H 8.20 . 1 596 139 139 VAL C C 174.0 . 1 597 139 139 VAL CA C 58.2 . 1 598 139 139 VAL CB C 28.2 . 1 599 139 139 VAL N N 124.4 . 1 600 140 140 VAL H H 8.81 . 1 601 140 140 VAL C C 171.7 . 1 602 140 140 VAL CA C 56.9 . 1 603 140 140 VAL CB C 30.6 . 1 604 140 140 VAL N N 125.2 . 1 605 141 141 ASP H H 7.90 . 1 606 141 141 ASP CA C 53.9 . 1 607 141 141 ASP CB C 38.3 . 1 608 141 141 ASP N N 125.9 . 1 stop_ save_ save_RDC_list_LRT _Saveframe_category residual_dipolar_couplings _Details L11+RNA+thiostrepton _Sample_conditions_label $25C _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . loop_ _Sample_label $L11+RNA+thiostrepton stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error 1DHNN 3 LYS H 3 LYS N 2.80 ? ? . . 2 1DHNN 4 LYS H 4 LYS N -4.62 ? ? . . 2 1DHNN 6 ALA H 6 ALA N 0.61 ? ? . . 2 1DHNN 7 ALA H 7 ALA N -6.08 ? ? . . 2 1DHNN 8 GLN H 8 GLN N -6.20 ? ? . . 2 1DHNN 9 ILE H 9 ILE N -11.12 ? ? . . 2 1DHNN 10 LYS H 10 LYS N -4.50 ? ? . . 2 1DHNN 11 LEU H 11 LEU N -1.82 ? ? . . 2 1DHNN 12 GLN H 12 GLN N 3.71 ? ? . . 2 1DHNN 13 LEU H 13 LEU N 4.80 ? ? . . 2 1DHNN 15 ALA H 15 ALA N -13.43 ? ? . . 2 1DHNN 16 GLY H 16 GLY N 10.52 ? ? . . 2 1DHNN 17 LYS H 17 LYS N -2.73 ? ? . . 2 1DHNN 18 ALA H 18 ALA N -5.78 ? ? . . 2 1DHNN 19 THR H 19 THR N -11.74 ? ? . . 2 1DHNN 21 ALA H 21 ALA N 3.23 ? ? . . 2 1DHNN 24 VAL H 24 VAL N 18.48 ? ? . . 2 1DHNN 25 GLY H 25 GLY N 7.11 ? ? . . 2 1DHNN 27 ALA H 27 ALA N 10.58 ? ? . . 2 1DHNN 28 LEU H 28 LEU N 13.86 ? ? . . 2 1DHNN 29 GLY H 29 GLY N 0.43 ? ? . . 2 1DHNN 31 HIS H 31 HIS N 10.70 ? ? . . 2 1DHNN 32 GLY H 32 GLY N -4.68 ? ? . . 2 1DHNN 33 VAL H 33 VAL N -21.03 ? ? . . 2 1DHNN 34 ASN H 34 ASN N 6.39 ? ? . . 2 1DHNN 35 ILE H 35 ILE N 5.11 ? ? . . 2 1DHNN 36 MET H 36 MET N -1.77 ? ? . . 2 1DHNN 37 GLU H 37 GLU N 5.04 ? ? . . 2 1DHNN 39 CYS H 39 CYS N 0.24 ? ? . . 2 1DHNN 41 ARG H 41 ARG N 4.07 ? ? . . 2 1DHNN 42 PHE H 42 PHE N 1.70 ? ? . . 2 1DHNN 43 ASN H 43 ASN N 2.74 ? ? . . 2 1DHNN 44 ALA H 44 ALA N 5.72 ? ? . . 2 1DHNN 45 GLU H 45 GLU N -2.79 ? ? . . 2 1DHNN 46 THR H 46 THR N 4.61 ? ? . . 2 1DHNN 47 ALA H 47 ALA N -7.18 ? ? . . 2 1DHNN 48 ASP H 48 ASP N 4.75 ? ? . . 2 1DHNN 49 LYS H 49 LYS N 0.55 ? ? . . 2 1DHNN 50 ALA H 50 ALA N -13.99 ? ? . . 2 1DHNN 51 GLY H 51 GLY N 1.21 ? ? . . 2 1DHNN 52 MET H 52 MET N -19.46 ? ? . . 2 1DHNN 56 VAL H 56 VAL N -1.10 ? ? . . 2 1DHNN 57 VAL H 57 VAL N -6.39 ? ? . . 2 1DHNN 58 ILE H 58 ILE N -9.96 ? ? . . 2 1DHNN 59 THR H 59 THR N -6.99 ? ? . . 2 1DHNN 61 TYR H 61 TYR N 4.14 ? ? . . 2 1DHNN 63 ASP H 63 ASP N 4.69 ? ? . . 2 1DHNN 64 LYS H 64 LYS N -3.65 ? ? . . 2 1DHNN 65 SER H 65 SER N 12.21 ? ? . . 2 1DHNN 66 PHE H 66 PHE N -2.80 ? ? . . 2 1DHNN 67 THR H 67 THR N -8.57 ? ? . . 2 1DHNN 68 PHE H 68 PHE N -7.23 ? ? . . 2 1DHNN 69 ILE H 69 ILE N -7.73 ? ? . . 2 1DHNN 70 ILE H 70 ILE N -4.99 ? ? . . 2 1DHNN 71 LYS H 71 LYS N 6.75 ? ? . . 2 1DHNN 72 THR H 72 THR N 3.46 ? ? . . 2 1DHNN 75 ALA H 75 ALA N 12.89 ? ? . . 2 1DHNN 76 SER H 76 SER N 9.31 ? ? . . 2 1DHNN 77 PHE H 77 PHE N 5.53 ? ? . . 2 1DHNN 78 LEU H 78 LEU N 9.12 ? ? . . 2 1DHNN 79 LEU H 79 LEU N 9.49 ? ? . . 2 1DHNN 80 LYS H 80 LYS N -2.31 ? ? . . 2 1DHNN 81 LYS H 81 LYS N 10.76 ? ? . . 2 1DHNN 82 ALA H 82 ALA N 8.03 ? ? . . 2 1DHNN 83 ALA H 83 ALA N 5.47 ? ? . . 2 1DHNN 84 GLY H 84 GLY N -1.81 ? ? . . 2 1DHNN 85 ILE H 85 ILE N 8.09 ? ? . . 2 1DHNN 86 GLU H 86 GLU N -4.49 ? ? . . 2 1DHNN 87 LYS H 87 LYS N -2.00 ? ? . . 2 1DHNN 88 GLY H 88 GLY N -2.48 ? ? . . 2 1DHNN 89 SER H 89 SER N 10.83 ? ? . . 2 1DHNN 90 SER H 90 SER N 11.31 ? ? . . 2 1DHNN 91 GLU H 91 GLU N 10.34 ? ? . . 2 1DHNN 93 LYS H 93 LYS N -1.16 ? ? . . 2 1DHNN 94 ARG H 94 ARG N -8.75 ? ? . . 2 1DHNN 95 LYS H 95 LYS N -6.08 ? ? . . 2 1DHNN 96 ILE H 96 ILE N -10.40 ? ? . . 2 1DHNN 97 VAL H 97 VAL N 8.70 ? ? . . 2 1DHNN 98 GLY H 98 GLY N 6.45 ? ? . . 2 1DHNN 99 LYS H 99 LYS N 5.83 ? ? . . 2 1DHNN 100 VAL H 100 VAL N -2.92 ? ? . . 2 1DHNN 101 THR H 101 THR N -9.91 ? ? . . 2 1DHNN 102 ARG H 102 ARG N -12.16 ? ? . . 2 1DHNN 103 LYS H 103 LYS N -0.12 ? ? . . 2 1DHNN 104 GLN H 104 GLN N -14.72 ? ? . . 2 1DHNN 105 ILE H 105 ILE N -13.55 ? ? . . 2 1DHNN 106 GLU H 106 GLU N -4.32 ? ? . . 2 1DHNN 107 GLU H 107 GLU N -8.63 ? ? . . 2 1DHNN 108 ILE H 108 ILE N -16.36 ? ? . . 2 1DHNN 109 ALA H 109 ALA N -4.62 ? ? . . 2 1DHNN 110 LYS H 110 LYS N 0.73 ? ? . . 2 1DHNN 111 THR H 111 THR N -5.96 ? ? . . 2 1DHNN 112 LYS H 112 LYS N -14.71 ? ? . . 2 1DHNN 113 MET H 113 MET N 5.05 ? ? . . 2 1DHNN 115 ASP H 115 ASP N -0.73 ? ? . . 2 1DHNN 116 LEU H 116 LEU N -5.42 ? ? . . 2 1DHNN 117 ASN H 117 ASN N -3.90 ? ? . . 2 1DHNN 118 ALA H 118 ALA N 10.75 ? ? . . 2 1DHNN 119 ASN H 119 ASN N -12.53 ? ? . . 2 1DHNN 120 SER H 120 SER N -1.29 ? ? . . 2 1DHNN 121 LEU H 121 LEU N 0.73 ? ? . . 2 1DHNN 122 GLU H 122 GLU N 4.99 ? ? . . 2 1DHNN 123 ALA H 123 ALA N -2.86 ? ? . . 2 1DHNN 124 ALA H 124 ALA N -3.28 ? ? . . 2 1DHNN 125 MET H 125 MET N 9.54 ? ? . . 2 1DHNN 126 LYS H 126 LYS N 9.72 ? ? . . 2 1DHNN 127 ILE H 127 ILE N 4.07 ? ? . . 2 1DHNN 128 ILE H 128 ILE N -7.53 ? ? . . 2 1DHNN 130 GLY H 130 GLY N -2.44 ? ? . . 2 1DHNN 131 THR H 131 THR N -2.98 ? ? . . 2 1DHNN 132 ALA H 132 ALA N 4.86 ? ? . . 2 1DHNN 133 LYS H 133 LYS N 7.97 ? ? . . 2 1DHNN 134 SER H 134 SER N -7.42 ? ? . . 2 1DHNN 135 MET H 135 MET N -4.14 ? ? . . 2 1DHNN 136 GLY H 136 GLY N 7.47 ? ? . . 2 1DHNN 137 ILE H 137 ILE N 21.65 ? ? . . 2 1DHNN 138 GLU H 138 GLU N 17.27 ? ? . . 2 1DHNN 139 VAL H 139 VAL N -1.27 ? ? . . 2 1DHNN 140 VAL H 140 VAL N -8.39 ? ? . . 2 1DHNN 141 ASP H 141 ASP N -15.02 ? ? . . 2 stop_ save_