data_15656 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Apical Stem Loop Duck HBV ; _BMRB_accession_number 15656 _BMRB_flat_file_name bmr15656.str _Entry_type new _Submission_date 2008-02-13 _Accession_date 2008-02-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ampt Kirsten A.M. . 2 Ottink Otmar M. . 3 Girard Fred C. . 4 Nelissen Frank S. . 5 Tessari Marco . . 6 Wijmenga Sybren S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 315 "13C chemical shifts" 194 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-12-03 update BMRB 'complete entry citation' 2008-09-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N NMR assignments of Duck HBV apical stem loop of the epsilon encapsidation signal' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636894 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ampt Kirsten A.M. . 2 Ottink Otmar M. . 3 Girard Fred C. . 4 Nelissen Frank . . 5 Tessari Marco . . 6 Wijmenga Sybren S. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 159 _Page_last 162 _Year 2008 _Details . loop_ _Keyword NMR HBV Duck 'Apical Loop' RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Duck HBV apical loop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label APIC $Duck_HBV_apical_loop stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Duck_HBV_apical_loop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Duck_HBV_apical_loop _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GGUCUACAUUGCUGUUGUCG UGUGUGACC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 C 5 U 6 A 7 C 8 A 9 U 10 U 11 G 12 C 13 U 14 G 15 U 16 U 17 G 18 U 19 C 20 G 21 U 22 G 23 U 24 G 25 U 26 G 27 A 28 C 29 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Duck_HBV_apical_loop 'Hepatitis B virus' 10407 Viruses . Orthohepadnavirus 'Hepatitis B virus' 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 $Duck_HBV_apical_loop 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 1.2 mM 'natural abundance' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 1.2 mM 'natural abundance' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 1 mM '[U-13C; U-15N]-Ura' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 1 mM '[U-13C; U-15N]-Ura' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 0.7 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' DSS 1 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Duck_HBV_apical_loop 0.7 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' 'Pf1 phage' 15 mg/ml 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_DQF-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_5 save_ save_3D_HCN_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCN' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 278 . K pH 6.7 . pH pressure 1 . atm 'ionic strength' 10 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 288 . K pH 6.7 . pH pressure 1 . atm 'ionic strength' 10 . mM stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.7 . pH pressure 1 . atm 'ionic strength' 10 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 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_5C _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name APIC _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 1 1 G H1 H 12.79 0.01 1 2 2 2 G H1 H 13.30 0.01 1 3 3 3 U H3 H 14.24 0.01 1 4 3 3 U H5 H 5.114 0.01 1 5 3 3 U H6 H 7.767 0.01 1 6 3 3 U N3 N 162.3 0.1 1 7 4 4 C H41 H 8.305 0.01 1 8 4 4 C H42 H 7.012 0.01 1 9 4 4 C H5 H 5.635 0.01 1 10 4 4 C H6 H 7.678 0.01 1 11 5 5 U H3 H 11.25 0.01 1 12 5 5 U H5 H 5.619 0.01 1 13 5 5 U H6 H 7.841 0.01 1 14 5 5 U N3 N 157.8 0.1 1 15 6 6 A H1' H 5.762 0.01 1 16 6 6 A H2 H 7.469 0.01 1 17 6 6 A H61 H 7.651 0.01 1 18 6 6 A H62 H 6.577 0.01 1 19 7 7 C H41 H 8.205 0.01 1 20 7 7 C H42 H 6.878 0.01 1 21 7 7 C H5 H 5.205 0.01 1 22 7 7 C H6 H 7.534 0.01 1 23 8 8 A H1' H 5.936 0.01 1 24 8 8 A H2 H 7.362 0.01 1 25 8 8 A H61 H 7.811 0.01 1 26 8 8 A H62 H 6.444 0.01 1 27 9 9 U H3 H 11.87 0.01 1 28 9 9 U H5 H 5.350 0.01 1 29 9 9 U H6 H 7.489 0.01 1 30 9 9 U N3 N 158.1 0.01 1 31 10 10 U H5 H 5.561 0.01 1 32 10 10 U H6 H 8.046 0.01 1 33 11 11 G H1 H 11.22 0.01 1 34 11 11 G H22 H 6.282 0.01 1 35 12 12 C H41 H 8.173 0.01 1 36 12 12 C H42 H 7.051 0.01 1 37 12 12 C H5 H 5.272 0.01 1 38 12 12 C H6 H 7.553 0.01 1 39 13 13 U H1' H 5.481 0.01 1 40 13 13 U H3 H 10.93 0.01 1 41 13 13 U H5 H 5.610 0.01 1 42 13 13 U H6 H 7.593 0.01 1 43 13 13 U N3 N 157.7 0.1 1 44 15 15 U H5 H 5.751 0.01 1 45 15 15 U H6 H 7.650 0.01 1 46 16 16 U H5 H 5.891 0.01 1 47 16 16 U H6 H 7.887 0.01 1 48 17 17 G H1 H 13.30 0.01 1 49 18 18 U H3 H 12.26 0.01 1 50 18 18 U H5 H 5.485 0.01 1 51 18 18 U H6 H 7.691 0.01 1 52 18 18 U N3 N 158.7 0.1 1 53 19 19 C H5 H 5.435 0.01 1 54 20 20 G H1 H 11.55 0.01 1 55 20 20 G H1' H 5.533 0.01 1 56 20 20 G H22 H 6.268 0.01 1 57 21 21 U H1' H 5.422 0.01 1 58 21 21 U H3 H 13.84 0.01 1 59 21 21 U H5 H 5.198 0.01 1 60 21 21 U H6 H 7.664 0.01 1 61 21 21 U N3 N 162.7 0.1 1 62 22 22 G H1 H 12.52 0.01 1 63 22 22 G H21 H 7.944 0.01 1 64 22 22 G H22 H 6.132 0.01 1 65 23 23 U H3 H 13.72 0.01 1 66 23 23 U H5 H 5.106 0.01 1 67 23 23 U H6 H 7.552 0.01 1 68 23 23 U N3 N 161.7 0.1 1 69 24 24 G H1 H 10.25 0.01 1 70 26 26 G H1 H 12.60 0.01 1 71 26 26 G H22 H 6.163 0.01 1 72 27 27 A H2 H 7.838 0.01 1 73 27 27 A H61 H 8.314 0.01 1 74 27 27 A H62 H 6.577 0.01 1 75 28 28 C H41 H 8.497 0.01 1 76 28 28 C H42 H 6.990 0.01 1 77 28 28 C H5 H 5.159 0.01 1 78 28 28 C H6 H 7.504 0.01 1 79 29 29 C H41 H 8.430 0.01 1 80 29 29 C H42 H 6.948 0.01 1 81 29 29 C H5 H 5.408 0.01 1 82 29 29 C H6 H 7.614 0.01 1 stop_ save_ save_assigned_chem_shift_list_15C _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H COSY' '3D HCCH-TOCSY' '3D HCN' stop_ loop_ _Sample_label $sample_5 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name APIC _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 1 1 G H8 H 8.131 0.01 1 2 1 1 G C8 C 139.0 0.1 1 3 2 2 G H1 H 13.28 0.01 1 4 2 2 G H1' H 5.936 0.01 1 5 2 2 G H2' H 4.537 0.01 1 6 2 2 G H3' H 4.546 0.01 1 7 2 2 G H4' H 4.479 0.01 1 8 2 2 G H8 H 7.537 0.01 1 9 2 2 G C1' C 93.12 0.1 1 10 2 2 G C2' C 75.37 0.1 1 11 2 2 G C3' C 72.98 0.1 1 12 2 2 G C4' C 82.49 0.1 1 13 2 2 G C6 C 161.8 0.1 1 14 2 2 G C8 C 136.8 0.1 1 15 2 2 G N1 N 148.4 0.1 1 16 2 2 G N9 N 169.4 0.1 1 17 3 3 U H1' H 5.621 0.01 1 18 3 3 U H2' H 4.624 0.01 1 19 3 3 U H3 H 13.65 0.01 1 20 3 3 U H3' H 4.464 0.01 1 21 3 3 U H5 H 5.115 0.01 1 22 3 3 U H6 H 7.777 0.01 1 23 3 3 U C1' C 93.68 0.1 1 24 3 3 U C2' C 75.48 0.1 1 25 3 3 U C3' C 72.23 0.1 1 26 3 3 U C4 C 169.7 0.1 1 27 3 3 U C4' C 82.05 0.1 1 28 3 3 U C5 C 104.3 0.1 1 29 3 3 U C6 C 141.7 0.1 1 30 3 3 U N1 N 146.8 0.1 1 31 3 3 U N3 N 161.4 0.1 1 32 4 4 C H1' H 5.548 0.01 1 33 4 4 C H2' H 4.498 0.01 1 34 4 4 C H3' H 4.227 0.01 1 35 4 4 C H41 H 8.291 0.01 1 36 4 4 C H42 H 6.976 0.01 1 37 4 4 C H5 H 5.630 0.01 1 38 4 4 C H6 H 7.674 0.01 1 39 4 4 C C1' C 94.20 0.1 1 40 4 4 C C2' C 75.69 0.1 1 41 4 4 C C3' C 72.66 0.1 1 42 4 4 C C4' C 81.94 0.1 1 43 4 4 C C5 C 99.84 0.1 1 44 4 4 C N1 N 151.4 0.1 1 45 4 4 C N4 N 98.37 0.1 1 46 5 5 U H1' H 5.568 0.01 1 47 5 5 U H2' H 4.186 0.01 1 48 5 5 U H3 H 11.17 0.01 1 49 5 5 U H3' H 4.586 0.01 1 50 5 5 U H4' H 4.379 0.01 1 51 5 5 U H5 H 5.669 0.01 1 52 5 5 U H6 H 7.832 0.01 1 53 5 5 U C1' C 93.66 0.1 1 54 5 5 U C2' C 75.67 0.1 1 55 5 5 U C3' C 72.44 0.1 1 56 5 5 U C4 C 168.0 0.1 1 57 5 5 U C4' C 82.67 0.1 1 58 5 5 U C5 C 106.5 0.1 1 59 5 5 U C6 C 141.0 0.1 1 60 5 5 U N1 N 146.2 0.1 1 61 5 5 U N3 N 157.8 0.1 1 62 6 6 A H2 H 7.482 0.01 1 63 6 6 A H8 H 8.282 0.01 1 64 6 6 A C2 C 153.9 0.1 1 65 6 6 A C8 C 140.5 0.1 1 66 7 7 C H1' H 5.394 0.01 1 67 7 7 C H2' H 4.420 0.01 1 68 7 7 C H3' H 4.415 0.01 1 69 7 7 C H41 H 8.193 0.01 1 70 7 7 C H42 H 6.847 0.01 1 71 7 7 C H5 H 5.206 0.01 1 72 7 7 C H6 H 7.520 0.01 1 73 7 7 C C1' C 93.64 0.1 1 74 7 7 C C2' C 75.29 0.1 1 75 7 7 C C3' C 72.51 0.1 1 76 7 7 C C4 C 168.5 0.1 1 77 7 7 C C4' C 82.02 0.1 1 78 7 7 C C5 C 99.19 0.1 1 79 7 7 C N1 N 150.7 0.1 1 80 7 7 C N4 N 97.64 0.1 1 81 8 8 A H1' H 5.940 0.01 1 82 8 8 A H2 H 7.380 0.01 1 83 8 8 A H4' H 4.474 0.01 1 84 8 8 A H8 H 7.879 0.01 1 85 8 8 A C1' C 93.13 0.1 1 86 8 8 A C2 C 153.2 0.1 1 87 8 8 A C2' C 75.47 0.1 1 88 8 8 A C3' C 72.62 0.1 1 89 8 8 A C4' C 82.03 0.1 1 90 8 8 A C8 C 139.2 0.1 1 91 8 8 A N9 N 171.0 0.1 1 92 9 9 U H3 H 11.79 0.01 1 93 9 9 U H5 H 5.352 0.01 1 94 9 9 U H6 H 7.484 0.01 1 95 9 9 U C4 C 167.2 0.1 1 96 9 9 U C5 C 105.7 0.1 1 97 9 9 U N3 N 158.1 0.1 1 98 10 10 U H5 H 5.597 0.01 1 99 10 10 U H6 H 8.001 0.01 1 100 10 10 U C5 C 105.7 0.1 1 101 10 10 U C6 C 142.9 0.1 1 102 11 11 G H8 H 7.616 0.01 1 103 11 11 G C8 C 136.8 0.1 1 104 12 12 C H1' H 5.531 0.01 1 105 12 12 C H2' H 4.452 0.01 1 106 12 12 C H3' H 4.297 0.01 1 107 12 12 C H4' H 4.357 0.01 1 108 12 12 C H41 H 8.183 0.01 1 109 12 12 C H42 H 6.986 0.01 1 110 12 12 C H5 H 5.262 0.01 1 111 12 12 C H6 H 7.547 0.01 1 112 12 12 C C1' C 93.49 0.1 1 113 12 12 C C2' C 75.73 0.1 1 114 12 12 C C3' C 72.32 0.1 1 115 12 12 C C4 C 168.6 0.1 1 116 12 12 C C4' C 82.15 0.1 1 117 12 12 C C5 C 98.93 0.1 1 118 12 12 C N1 N 151.8 0.1 1 119 12 12 C N4 N 98.96 0.1 1 120 13 13 U H1' H 5.492 0.01 1 121 13 13 U H2' H 4.160 0.01 1 122 13 13 U H3 H 10.87 0.01 1 123 13 13 U H3' H 4.396 0.01 1 124 13 13 U H4' H 4.304 0.01 1 125 13 13 U H5 H 5.609 0.01 1 126 13 13 U H6 H 7.599 0.01 1 127 13 13 U C1' C 94.11 0.1 1 128 13 13 U C2' C 75.53 0.1 1 129 13 13 U C3' C 73.41 0.1 1 130 13 13 U C4 C 167.6 0.1 1 131 13 13 U C4' C 83.16 0.1 1 132 13 13 U C5 C 106.6 0.1 1 133 13 13 U N1 N 145.1 0.1 1 134 13 13 U N3 N 157.9 0.1 1 135 14 14 G H1' H 5.503 0.01 1 136 14 14 G H2' H 4.769 0.01 1 137 14 14 G H3' H 4.565 0.01 1 138 14 14 G H4' H 4.474 0.01 1 139 14 14 G H8 H 7.700 0.01 1 140 14 14 G C1' C 89.45 0.1 1 141 14 14 G C2' C 74.55 0.1 1 142 14 14 G C3' C 78.48 0.1 1 143 14 14 G C4' C 85.19 0.1 1 144 14 14 G C8 C 140.8 0.1 1 145 14 14 G N9 N 165.2 0.1 1 146 15 15 U H1' H 5.867 0.01 1 147 15 15 U H2' H 4.397 0.01 1 148 15 15 U H3' H 4.629 0.01 1 149 15 15 U H4' H 4.370 0.01 1 150 15 15 U H5 H 5.765 0.01 1 151 15 15 U H6 H 7.657 0.01 1 152 15 15 U C1' C 90.89 0.1 1 153 15 15 U C2' C 75.70 0.1 1 154 15 15 U C3' C 77.16 0.1 1 155 15 15 U C4 C 168.4 0.1 1 156 15 15 U C4' C 84.48 0.1 1 157 15 15 U C5 C 107.2 0.1 1 158 15 15 U C6 C 144.2 0.1 1 159 15 15 U N1 N 145.0 0.1 1 160 16 16 U H1' H 5.894 0.01 1 161 16 16 U H2' H 4.517 0.01 1 162 16 16 U H3' H 4.633 0.01 1 163 16 16 U H4' H 4.473 0.01 1 164 16 16 U H5 H 5.880 0.01 1 165 16 16 U H6 H 7.863 0.01 1 166 16 16 U C1' C 90.09 0.1 1 167 16 16 U C2' C 74.88 0.1 1 168 16 16 U C3' C 76.64 0.1 1 169 16 16 U C4 C 169.3 0.1 1 170 16 16 U C4' C 85.12 0.1 1 171 16 16 U C5 C 106.9 0.1 1 172 16 16 U C6 C 144.3 0.1 1 173 16 16 U N1 N 143.6 0.1 1 174 17 17 G H1 H 13.23 0.01 1 175 17 17 G H8 H 7.814 0.01 1 176 17 17 G C6 C 162.2 0.1 1 177 17 17 G C8 C 137.5 0.1 1 178 17 17 G N1 N 148.5 0.1 1 179 18 18 U H1' H 5.663 0.01 1 180 18 18 U H2' H 4.413 0.01 1 181 18 18 U H3' H 4.594 0.01 1 182 18 18 U H4' H 4.422 0.01 1 183 18 18 U H5 H 5.566 0.01 1 184 18 18 U H6 H 7.787 0.01 1 185 18 18 U C1' C 92.79 0.1 1 186 18 18 U C2' C 75.45 0.1 1 187 18 18 U C3' C 74.10 0.1 1 188 18 18 U C4' C 83.53 0.1 1 189 18 18 U C5 C 105.2 0.1 1 190 18 18 U C6 C 143.3 0.1 1 191 18 18 U N1 N 146.0 0.1 1 192 19 19 C H1' H 5.674 0.01 1 193 19 19 C H2' H 4.651 0.01 1 194 19 19 C H41 H 8.380 0.01 1 195 19 19 C H5 H 5.596 0.01 1 196 19 19 C H6 H 7.688 0.01 1 197 19 19 C C1' C 93.28 0.1 1 198 19 19 C C2' C 75.78 0.1 1 199 19 19 C C3' C 72.69 0.1 1 200 19 19 C C4' C 81.78 0.1 1 201 19 19 C C5 C 99.35 0.1 1 202 19 19 C N1 N 153.4 0.1 1 203 19 19 C N4 N 97.34 0.1 1 204 20 20 G H1 H 11.44 0.01 1 205 20 20 G H1' H 5.623 0.01 1 206 20 20 G H2' H 4.624 0.01 1 207 20 20 G H3' H 4.464 0.01 1 208 20 20 G H8 H 7.564 0.01 1 209 20 20 G C1' C 93.61 0.1 1 210 20 20 G C2' C 75.48 0.1 1 211 20 20 G C3' C 72.23 0.1 1 212 20 20 G C4' C 82.05 0.1 1 213 20 20 G C6 C 161.5 0.1 1 214 20 20 G C8 C 137.8 0.1 1 215 20 20 G N1 N 144.8 0.1 1 216 20 20 G N9 N 170.5 0.1 1 217 21 21 U H1' H 5.449 0.01 1 218 21 21 U H2' H 4.586 0.01 1 219 21 21 U H3 H 13.76 0.01 1 220 21 21 U H3' H 4.542 0.01 1 221 21 21 U H4' H 4.425 0.01 1 222 21 21 U H5 H 5.211 0.01 1 223 21 21 U H6 H 7.657 0.01 1 224 21 21 U C1' C 93.69 0.1 1 225 21 21 U C2' C 75.24 0.1 1 226 21 21 U C3' C 71.92 0.1 1 227 21 21 U C4 C 169.3 0.1 1 228 21 21 U C4' C 82.00 0.1 1 229 21 21 U C5 C 105.0 0.1 1 230 21 21 U N1 N 145.9 0.1 1 231 21 21 U N3 N 162.6 0.1 1 232 22 22 G H1 H 12.51 0.01 1 233 22 22 G H1' H 5.752 0.01 1 234 22 22 G H3' H 4.524 0.01 1 235 22 22 G H4' H 4.048 0.01 1 236 22 22 G H8 H 7.674 0.01 1 237 22 22 G C1' C 92.94 0.1 1 238 22 22 G C2' C 75.37 0.1 1 239 22 22 G C3' C 72.84 0.1 1 240 22 22 G C4' C 82.05 0.1 1 241 22 22 G C6 C 161.4 0.1 1 242 22 22 G C8 C 136.3 0.1 1 243 22 22 G N1 N 147.2 0.1 1 244 22 22 G N9 N 169.6 0.1 1 245 23 23 U H1' H 5.488 0.01 1 246 23 23 U H2' H 4.443 0.01 1 247 23 23 U H3 H 13.66 0.01 1 248 23 23 U H3' H 4.438 0.01 1 249 23 23 U H4' H 4.394 0.01 1 250 23 23 U H5 H 5.103 0.01 1 251 23 23 U H6 H 7.543 0.01 1 252 23 23 U C1' C 93.38 0.1 1 253 23 23 U C2' C 75.54 0.1 1 254 23 23 U C3' C 72.70 0.1 1 255 23 23 U C4 C 169.3 0.1 1 256 23 23 U C4' C 82.31 0.1 1 257 23 23 U C5 C 104.7 0.1 1 258 23 23 U N1 N 145.6 0.1 1 259 23 23 U N3 N 161.6 0.1 1 260 24 24 G H1' H 5.743 0.01 1 261 24 24 G H8 H 7.792 0.01 1 262 24 24 G C1' C 91.10 0.1 1 263 24 24 G C8 C 138.0 0.1 1 264 24 24 G N9 N 168.5 0.1 1 265 25 25 U H5 H 5.779 0.01 9 266 25 25 U H6 H 7.750 0.01 9 267 26 26 G H1 H 12.55 0.01 1 268 26 26 G H8 H 7.750 0.01 1 269 26 26 G C6 C 161.8 0.1 1 270 26 26 G C8 C 137.4 0.1 1 271 26 26 G N1 N 147.5 0.1 1 272 27 27 A H1' H 6.021 0.01 1 273 27 27 A H2 H 7.837 0.01 1 274 27 27 A H3' H 4.552 0.01 1 275 27 27 A H4' H 4.550 0.01 1 276 27 27 A H8 H 7.922 0.01 1 277 27 27 A C1' C 93.25 0.1 1 278 27 27 A C2 C 154.0 0.1 1 279 27 27 A C2' C 75.43 0.1 1 280 27 27 A C3' C 73.11 0.1 1 281 27 27 A C4' C 82.39 0.1 1 282 27 27 A C8 C 139.9 0.1 1 283 27 27 A N9 N 170.4 0.1 1 284 28 28 C H1' H 5.454 0.01 1 285 28 28 C H2' H 4.179 0.01 1 286 28 28 C H3' H 4.361 0.01 1 287 28 28 C H4' H 4.397 0.01 1 288 28 28 C H41 H 8.477 0.01 1 289 28 28 C H5 H 5.164 0.01 1 290 28 28 C H6 H 7.487 0.01 1 291 28 28 C C1' C 94.09 0.1 1 292 28 28 C C2' C 75.71 0.1 1 293 28 28 C C3' C 72.14 0.1 1 294 28 28 C C4 C 168.6 0.1 1 295 28 28 C C4' C 81.82 0.1 1 296 28 28 C C5 C 98.82 0.1 1 297 28 28 C N1 N 151.2 0.1 1 298 28 28 C N4 N 98.66 0.1 1 299 29 29 C H1' H 5.767 0.01 1 300 29 29 C H2' H 4.008 0.01 1 301 29 29 C H4' H 4.161 0.01 1 302 29 29 C H41 H 8.429 0.01 1 303 29 29 C H5 H 5.442 0.01 1 304 29 29 C H6 H 7.642 0.01 1 305 29 29 C C1' C 92.86 0.1 1 306 29 29 C C2' C 77.60 0.1 1 307 29 29 C C3' C 69.75 0.1 1 308 29 29 C C4 C 169.0 0.1 1 309 29 29 C C4' C 83.40 0.1 1 310 29 29 C C5 C 99.96 0.1 1 311 29 29 C N1 N 152.4 0.1 1 312 29 29 C N4 N 98.41 0.1 1 stop_ save_ save_assigned_chem_shift_list_25C _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name APIC _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 1 1 G H1' H 5.814 0.01 1 2 1 1 G H2' H 4.945 0.01 1 3 1 1 G H8 H 8.112 0.01 1 4 2 2 G H1' H 5.918 0.01 1 5 2 2 G H8 H 7.537 0.01 1 6 3 3 U H1' H 5.612 0.01 1 7 3 3 U H5 H 5.109 0.01 1 8 3 3 U H6 H 7.768 0.01 1 9 3 3 U C1' C 93.74 0.1 1 10 3 3 U C5 C 102.8 0.1 1 11 4 4 C H1' H 5.556 0.01 1 12 4 4 C H5 H 5.615 0.01 1 13 4 4 C H6 H 7.687 0.01 1 14 4 4 C C1' C 94.16 0.1 1 15 4 4 C C5 C 97.81 0.1 1 16 5 5 U H1' H 5.581 0.01 1 17 5 5 U H2' H 4.192 0.01 1 18 5 5 U H5 H 5.650 0.01 1 19 5 5 U H6 H 7.815 0.01 1 20 5 5 U C1' C 93.73 0.1 1 21 5 5 U C2' C 75.69 0.1 1 22 5 5 U C5 C 105.0 0.1 1 23 6 6 A H1' H 5.770 0.01 1 24 6 6 A H2 H 7.502 0.01 1 25 6 6 A H2' H 4.560 0.01 1 26 6 6 A H8 H 8.258 0.01 1 27 6 6 A C1' C 92.86 0.1 1 28 6 6 A C2' C 75.28 0.1 1 29 7 7 C H1' H 5.383 0.01 1 30 7 7 C H2' H 4.407 0.01 1 31 7 7 C H5 H 5.202 0.01 1 32 7 7 C H6 H 7.493 0.01 1 33 7 7 C C1' C 93.72 0.1 1 34 7 7 C C2' C 75.35 0.1 1 35 7 7 C C5 C 97.50 0.1 1 36 8 8 A H1' H 5.933 0.01 1 37 8 8 A H2 H 7.401 0.01 1 38 8 8 A H2' H 4.591 0.01 1 39 8 8 A H8 H 7.875 0.01 1 40 8 8 A C1' C 93.13 0.1 1 41 8 8 A C2' C 75.57 0.1 1 42 9 9 U H1' H 5.496 0.01 1 43 9 9 U H2' H 4.114 0.01 1 44 9 9 U H5 H 5.357 0.01 1 45 9 9 U H6 H 7.482 0.01 1 46 9 9 U C1' C 92.66 0.1 1 47 9 9 U C2' C 76.10 0.1 1 48 9 9 U C5 C 104.4 0.1 1 49 10 10 U H1' H 5.703 0.01 1 50 10 10 U H2' H 4.563 0.01 1 51 10 10 U H5 H 5.585 0.01 1 52 10 10 U H6 H 7.940 0.01 1 53 10 10 U C1' C 92.61 0.1 1 54 10 10 U C2' C 75.47 0.1 1 55 10 10 U C5 C 104.1 0.1 1 56 11 11 G H1' H 5.748 0.01 1 57 11 11 G H2' H 4.635 0.01 1 58 11 11 G H8 H 7.706 0.01 1 59 11 11 G C1' C 91.70 0.1 1 60 11 11 G C2' C 75.02 0.1 1 61 12 12 C H1' H 5.583 0.01 1 62 12 12 C H2' H 4.426 0.01 1 63 12 12 C H5 H 5.253 0.01 1 64 12 12 C H6 H 7.542 0.01 1 65 12 12 C C1' C 93.32 0.1 1 66 12 12 C C2' C 75.11 0.1 1 67 12 12 C C5 C 97.38 0.1 1 68 13 13 U H1' H 5.510 0.01 1 69 13 13 U H2' H 4.156 0.01 1 70 13 13 U H5 H 5.607 0.01 1 71 13 13 U H6 H 7.610 0.01 1 72 13 13 U C1' C 93.79 0.1 1 73 13 13 U C2' C 75.59 0.1 1 74 13 13 U C5 C 105.1 0.1 1 75 14 14 G H1' H 5.522 0.01 1 76 14 14 G H2' H 4.765 0.01 1 77 14 14 G H8 H 7.709 0.01 1 78 14 14 G C1' C 89.64 0.1 1 79 14 14 G C2' C 74.59 0.1 1 80 15 15 U H1' H 5.864 0.01 1 81 15 15 U H2' H 4.385 0.01 1 82 15 15 U H3' H 4.614 0.01 1 83 15 15 U H4' H 4.337 0.01 1 84 15 15 U H5 H 5.775 0.01 1 85 15 15 U H6 H 7.665 0.01 1 86 15 15 U C1' C 90.97 0.1 1 87 15 15 U C2' C 75.68 0.1 1 88 15 15 U C5 C 105.6 0.1 1 89 16 16 U H1' H 5.847 0.01 1 90 16 16 U H2' H 4.433 0.01 1 91 16 16 U H3' H 4.602 0.01 1 92 16 16 U H5 H 5.852 0.01 1 93 16 16 U H6 H 7.814 0.01 1 94 16 16 U C1' C 90.44 0.1 1 95 16 16 U C2' C 75.33 0.1 1 96 16 16 U C5 C 105.4 0.1 1 97 17 17 G H1' H 5.715 0.01 1 98 17 17 G H8 H 7.669 0.01 1 99 18 18 U H1' H 5.771 0.01 1 100 18 18 U H2' H 4.425 0.01 1 101 18 18 U H5 H 5.523 0.01 1 102 18 18 U H6 H 7.718 0.01 1 103 18 18 U C1' C 93.26 0.1 1 104 18 18 U C2' C 75.62 0.1 1 105 18 18 U C5 C 104.2 0.1 1 106 19 19 C H1' H 5.625 0.01 1 107 19 19 C H2' H 4.647 0.01 1 108 19 19 C H5 H 5.564 0.01 1 109 19 19 C H6 H 7.852 0.01 1 110 19 19 C C1' C 92.93 0.1 1 111 19 19 C C5 C 97.78 0.1 1 112 20 20 G H1' H 5.647 0.01 1 113 20 20 G H8 H 7.561 0.01 1 114 20 20 G C1' C 93.49 0.1 1 115 21 21 U H1' H 5.451 0.01 1 116 21 21 U H2' H 4.160 0.01 1 117 21 21 U H5 H 5.234 0.01 1 118 21 21 U H6 H 7.644 0.01 1 119 21 21 U C1' C 93.81 0.1 1 120 21 21 U C2' C 75.54 0.1 1 121 21 21 U C5 C 103.5 0.1 1 122 22 22 G H1' H 5.754 0.01 1 123 22 22 G H2' H 4.537 0.01 1 124 22 22 G H8 H 7.663 0.01 1 125 22 22 G C1' C 93.02 0.1 1 126 22 22 G C2' C 75.34 0.1 1 127 23 23 U H1' H 5.489 0.01 1 128 23 23 U H2' H 4.437 0.01 1 129 23 23 U H5 H 5.094 0.01 1 130 23 23 U H6 H 7.527 0.01 1 131 23 23 U C1' C 93.47 0.1 1 132 23 23 U C2' C 75.08 0.1 1 133 23 23 U C5 C 103.2 0.1 1 134 24 24 G H1' H 5.731 0.01 1 135 24 24 G H2' H 4.489 0.01 1 136 24 24 G H8 H 7.774 0.01 1 137 24 24 G C1' C 91.11 0.1 1 138 24 24 G C2' C 75.65 0.1 1 139 25 25 U H5 H 5.797 0.01 9 140 25 25 U H6 H 7.774 0.01 9 141 26 26 G H1' H 5.714 0.01 1 142 26 26 G H2' H 4.684 0.01 1 143 26 26 G H8 H 7.746 0.01 1 144 26 26 G C1' C 91.69 0.1 1 145 26 26 G C2' C 75.40 0.1 1 146 27 27 A H1' H 6.010 0.01 1 147 27 27 A H2 H 7.835 0.01 1 148 27 27 A H2' H 4.547 0.01 1 149 27 27 A H8 H 7.911 0.01 1 150 27 27 A C1' C 93.22 0.1 1 151 27 27 A C2' C 75.31 0.1 1 152 28 28 C H1' H 5.451 0.01 1 153 28 28 C H5 H 5.152 0.01 1 154 28 28 C H6 H 7.488 0.01 1 155 28 28 C C1' C 93.57 0.1 1 156 28 28 C C5 C 97.11 0.1 1 157 29 29 C H1' H 5.557 0.01 1 158 29 29 C H5 H 5.394 0.01 1 159 29 29 C H6 H 7.620 0.01 1 160 29 29 C C5 C 97.84 0.1 1 stop_ save_