################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52126 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'A-form chemical shifts for 8mG4 r(CpG)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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52126 1 2 '2D 1H-13C HSQC' . . . 52126 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52126 1 2 $software_2 . . 52126 1 3 $software_3 . . 52126 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 C H1' H 1 5.603 0.001 . 1 . . . . . 1 C H1' . 52126 1 2 . 1 . 1 1 1 C H2' H 1 4.353 0 . 1 . . . . . 1 C H2' . 52126 1 3 . 1 . 1 1 1 C H3' H 1 4.58 0.005 . 1 . . . . . 1 C H3' . 52126 1 4 . 1 . 1 1 1 C H4' H 1 4.366 0.002 . 1 . . . . . 1 C H4' . 52126 1 5 . 1 . 1 1 1 C H5 H 1 6.031 0.001 . 1 . . . . . 1 C H5 . 52126 1 6 . 1 . 1 1 1 C H5' H 1 4.063 0.003 . 1 . . . . . 1 C H5' . 52126 1 7 . 1 . 1 1 1 C H5'' H 1 3.96 0.003 . 1 . . . . . 1 C H5'' . 52126 1 8 . 1 . 1 1 1 C H6 H 1 8.083 0.001 . 1 . . . . . 1 C H6 . 52126 1 9 . 1 . 1 1 1 C C1' C 13 93.93 0 . 1 . . . . . 1 C C1' . 52126 1 10 . 1 . 1 1 1 C C2' C 13 75.667 0 . 1 . . . . . 1 C C2' . 52126 1 11 . 1 . 1 1 1 C C3' C 13 76.538 0 . 1 . . . . . 1 C C3' . 52126 1 12 . 1 . 1 1 1 C C4' C 13 84.425 0 . 1 . . . . . 1 C C4' . 52126 1 13 . 1 . 1 1 1 C C5 C 13 99.12 0 . 1 . . . . . 1 C C5 . 52126 1 14 . 1 . 1 1 1 C C5' C 13 62.069 0.005 . 1 . . . . . 1 C C5' . 52126 1 15 . 1 . 1 1 1 C C6 C 13 142.738 0 . 1 . . . . . 1 C C6 . 52126 1 16 . 1 . 1 2 2 G H1' H 1 5.896 0.001 . 1 . . . . . 2 G H1' . 52126 1 17 . 1 . 1 2 2 G H2' H 1 4.732 0 . 1 . . . . . 2 G H2' . 52126 1 18 . 1 . 1 2 2 G H3' H 1 4.661 0.005 . 1 . . . . . 2 G H3' . 52126 1 19 . 1 . 1 2 2 G H4' H 1 4.529 0.003 . 1 . . . . . 2 G H4' . 52126 1 20 . 1 . 1 2 2 G H5' H 1 4.517 0.001 . 1 . . . . . 2 G H5' . 52126 1 21 . 1 . 1 2 2 G H5'' H 1 4.195 0.001 . 1 . . . . . 2 G H5'' . 52126 1 22 . 1 . 1 2 2 G H8 H 1 7.752 0.002 . 1 . . . . . 2 G H8 . 52126 1 23 . 1 . 1 2 2 G C1' C 13 93.857 0 . 1 . . . . . 2 G C1' . 52126 1 24 . 1 . 1 2 2 G C2' C 13 75.305 0 . 1 . . . . . 2 G C2' . 52126 1 25 . 1 . 1 2 2 G C3' C 13 73.851 0 . 1 . . . . . 2 G C3' . 52126 1 26 . 1 . 1 2 2 G C4' C 13 82.216 0 . 1 . . . . . 2 G C4' . 52126 1 27 . 1 . 1 2 2 G C5' C 13 65.623 0.01 . 1 . . . . . 2 G C5' . 52126 1 28 . 1 . 1 2 2 G C8 C 13 136.177 0 . 1 . . . . . 2 G C8 . 52126 1 29 . 1 . 1 3 3 C H1' H 1 5.583 0.001 . 1 . . . . . 3 C H1' . 52126 1 30 . 1 . 1 3 3 C H2' H 1 4.598 0.003 . 1 . . . . . 3 C H2' . 52126 1 31 . 1 . 1 3 3 C H3' H 1 4.346 0 . 1 . . . . . 3 C H3' . 52126 1 32 . 1 . 1 3 3 C H4' H 1 4.485 0.002 . 1 . . . . . 3 C H4' . 52126 1 33 . 1 . 1 3 3 C H5 H 1 5.14 0.001 . 1 . . . . . 3 C H5 . 52126 1 34 . 1 . 1 3 3 C H5' H 1 4.346 0.008 . 1 . . . . . 3 C H5' . 52126 1 35 . 1 . 1 3 3 C H5'' H 1 3.848 0.006 . 1 . . . . . 3 C H5'' . 52126 1 36 . 1 . 1 3 3 C H6 H 1 7.667 0.002 . 1 . . . . . 3 C H6 . 52126 1 37 . 1 . 1 3 3 C C1' C 13 94.66 0 . 1 . . . . . 3 C C1' . 52126 1 38 . 1 . 1 3 3 C C2' C 13 73.717 0 . 1 . . . . . 3 C C2' . 52126 1 39 . 1 . 1 3 3 C C3' C 13 72.276 0 . 1 . . . . . 3 C C3' . 52126 1 40 . 1 . 1 3 3 C C4' C 13 82.66 0 . 1 . . . . . 3 C C4' . 52126 1 41 . 1 . 1 3 3 C C5 C 13 97.715 0 . 1 . . . . . 3 C C5 . 52126 1 42 . 1 . 1 3 3 C C5' C 13 67.498 0.045 . 1 . . . . . 3 C C5' . 52126 1 43 . 1 . 1 3 3 C C6 C 13 142.119 0 . 1 . . . . . 3 C C6 . 52126 1 44 . 1 . 1 4 4 X H1' H 1 5.708 0.001 . 1 . . . . . 4 X H1' . 52126 1 45 . 1 . 1 4 4 X H2' H 1 4.646 0.001 . 1 . . . . . 4 X H2' . 52126 1 46 . 1 . 1 4 4 X H3' H 1 4.603 0 . 1 . . . . . 4 X H3' . 52126 1 47 . 1 . 1 4 4 X H4' H 1 4.454 0.002 . 1 . . . . . 4 X H4' . 52126 1 48 . 1 . 1 4 4 X H5' H 1 4.266 0.004 . 1 . . . . . 4 X H5' . 52126 1 49 . 1 . 1 4 4 X H5'' H 1 4.15 0.001 . 1 . . . . . 4 X H5'' . 52126 1 50 . 1 . 1 4 4 X C1' C 13 89.638 0 . 1 . . . . . 4 X C1' . 52126 1 51 . 1 . 1 4 4 X C2' C 13 75.51 0 . 1 . . . . . 4 X C2' . 52126 1 52 . 1 . 1 4 4 X C3' C 13 72.741 0 . 1 . . . . . 4 X C3' . 52126 1 53 . 1 . 1 4 4 X C4' C 13 83.752 0 . 1 . . . . . 4 X C4' . 52126 1 54 . 1 . 1 4 4 X C5' C 13 67.294 0.003 . 1 . . . . . 4 X C5' . 52126 1 55 . 1 . 1 4 4 X C9 C 13 15.501 0 . 1 . . . . . 4 X C9 . 52126 1 56 . 1 . 1 4 4 X H9 H 1 2.575 0.003 . 1 . . . . . 4 X M9 . 52126 1 57 . 1 . 1 5 5 C H1' H 1 5.52 0.001 . 1 . . . . . 5 C H1' . 52126 1 58 . 1 . 1 5 5 C H2' H 1 4.58 0.004 . 1 . . . . . 5 C H2' . 52126 1 59 . 1 . 1 5 5 C H3' H 1 4.343 0 . 1 . . . . . 5 C H3' . 52126 1 60 . 1 . 1 5 5 C H4' H 1 4.372 0.001 . 1 . . . . . 5 C H4' . 52126 1 61 . 1 . 1 5 5 C H5 H 1 5.418 0.001 . 1 . . . . . 5 C H5 . 52126 1 62 . 1 . 1 5 5 C H5' H 1 4.562 0.005 . 1 . . . . . 5 C H5' . 52126 1 63 . 1 . 1 5 5 C H5'' H 1 4.092 0.002 . 1 . . . . . 5 C H5'' . 52126 1 64 . 1 . 1 5 5 C H6 H 1 7.462 0.002 . 1 . . . . . 5 C H6 . 52126 1 65 . 1 . 1 5 5 C C1' C 13 94.578 0 . 1 . . . . . 5 C C1' . 52126 1 66 . 1 . 1 5 5 C C2' C 13 73.693 0 . 1 . . . . . 5 C C2' . 52126 1 67 . 1 . 1 5 5 C C3' C 13 73.177 0 . 1 . . . . . 5 C C3' . 52126 1 68 . 1 . 1 5 5 C C4' C 13 82.014 0 . 1 . . . . . 5 C C4' . 52126 1 69 . 1 . 1 5 5 C C5 C 13 97.685 0 . 1 . . . . . 5 C C5 . 52126 1 70 . 1 . 1 5 5 C C5' C 13 64.418 0.002 . 1 . . . . . 5 C C5' . 52126 1 71 . 1 . 1 5 5 C C6 C 13 140.044 0 . 1 . . . . . 5 C C6 . 52126 1 72 . 1 . 1 6 6 G H1' H 1 5.875 0.003 . 1 . . . . . 6 G H1' . 52126 1 73 . 1 . 1 6 6 G H2' H 1 4.139 0.002 . 1 . . . . . 6 G H2' . 52126 1 74 . 1 . 1 6 6 G H3' H 1 4.318 0 . 1 . . . . . 6 G H3' . 52126 1 75 . 1 . 1 6 6 G H4' H 1 4.247 0 . 1 . . . . . 6 G H4' . 52126 1 76 . 1 . 1 6 6 G H5' H 1 4.451 0.001 . 1 . . . . . 6 G H5' . 52126 1 77 . 1 . 1 6 6 G H5'' H 1 4.068 0.001 . 1 . . . . . 6 G H5'' . 52126 1 78 . 1 . 1 6 6 G H8 H 1 7.588 0.001 . 1 . . . . . 6 G H8 . 52126 1 79 . 1 . 1 6 6 G C1' C 13 91.201 0 . 1 . . . . . 6 G C1' . 52126 1 80 . 1 . 1 6 6 G C2' C 13 77.936 0 . 1 . . . . . 6 G C2' . 52126 1 81 . 1 . 1 6 6 G C3' C 13 70.662 0 . 1 . . . . . 6 G C3' . 52126 1 82 . 1 . 1 6 6 G C4' C 13 84.152 0 . 1 . . . . . 6 G C4' . 52126 1 83 . 1 . 1 6 6 G C5' C 13 65.812 0.012 . 1 . . . . . 6 G C5' . 52126 1 84 . 1 . 1 6 6 G C8 C 13 137.246 0 . 1 . . . . . 6 G C8 . 52126 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52126 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Z-form chemical shifts for 8mG4 r(CpG)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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52126 2 2 '2D 1H-13C HSQC' . . . 52126 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52126 2 2 $software_2 . . 52126 2 3 $software_3 . . 52126 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 C H1' H 1 5.87 0.001 . 1 . . . . . 1 C H1' . 52126 2 2 . 1 . 1 1 1 C H2' H 1 3.833 0.004 . 1 . . . . . 1 C H2' . 52126 2 3 . 1 . 1 1 1 C H3' H 1 4.381 0 . 1 . . . . . 1 C H3' . 52126 2 4 . 1 . 1 1 1 C H4' H 1 3.775 0.004 . 1 . . . . . 1 C H4' . 52126 2 5 . 1 . 1 1 1 C H5 H 1 5.839 0.001 . 1 . . . . . 1 C H5 . 52126 2 6 . 1 . 1 1 1 C H5' H 1 3.166 0.001 . 1 . . . . . 1 C H5' . 52126 2 7 . 1 . 1 1 1 C H5'' H 1 2.38 0.002 . 1 . . . . . 1 C H5'' . 52126 2 8 . 1 . 1 1 1 C H6 H 1 7.438 0.001 . 1 . . . . . 1 C H6 . 52126 2 9 . 1 . 1 1 1 C C1' C 13 88.807 0 . 1 . . . . . 1 C C1' . 52126 2 10 . 1 . 1 1 1 C C2' C 13 78.4 0 . 1 . . . . . 1 C C2' . 52126 2 11 . 1 . 1 1 1 C C3' C 13 79.253 0 . 1 . . . . . 1 C C3' . 52126 2 12 . 1 . 1 1 1 C C4' C 13 85.357 0 . 1 . . . . . 1 C C4' . 52126 2 13 . 1 . 1 1 1 C C5 C 13 99.723 0 . 1 . . . . . 1 C C5 . 52126 2 14 . 1 . 1 1 1 C C5' C 13 63.02 0.01 . 1 . . . . . 1 C C5' . 52126 2 15 . 1 . 1 1 1 C C6 C 13 142.404 0 . 1 . . . . . 1 C C6 . 52126 2 16 . 1 . 1 2 2 G H1' H 1 5.831 0 . 1 . . . . . 2 G H1' . 52126 2 17 . 1 . 1 2 2 G H2' H 1 4.587 0.006 . 1 . . . . . 2 G H2' . 52126 2 18 . 1 . 1 2 2 G H3' H 1 5.237 0.002 . 1 . . . . . 2 G H3' . 52126 2 19 . 1 . 1 2 2 G H4' H 1 4.315 0.001 . 1 . . . . . 2 G H4' . 52126 2 20 . 1 . 1 2 2 G H5' H 1 4.286 0 . 1 . . . . . 2 G H5' . 52126 2 21 . 1 . 1 2 2 G H5'' H 1 4.213 0.002 . 1 . . . . . 2 G H5'' . 52126 2 22 . 1 . 1 2 2 G H8 H 1 7.836 0.001 . 1 . . . . . 2 G H8 . 52126 2 23 . 1 . 1 2 2 G C1' C 13 92.892 0 . 1 . . . . . 2 G C1' . 52126 2 24 . 1 . 1 2 2 G C2' C 13 79.618 0 . 1 . . . . . 2 G C2' . 52126 2 25 . 1 . 1 2 2 G C3' C 13 76.019 0 . 1 . . . . . 2 G C3' . 52126 2 26 . 1 . 1 2 2 G C4' C 13 83.94 0 . 1 . . . . . 2 G C4' . 52126 2 27 . 1 . 1 2 2 G C5' C 13 68.675 0.003 . 1 . . . . . 2 G C5' . 52126 2 28 . 1 . 1 2 2 G C8 C 13 141.417 0 . 1 . . . . . 2 G C8 . 52126 2 29 . 1 . 1 3 3 C H1' H 1 5.902 0.002 . 1 . . . . . 3 C H1' . 52126 2 30 . 1 . 1 3 3 C H2' H 1 4.038 0.001 . 1 . . . . . 3 C H2' . 52126 2 31 . 1 . 1 3 3 C H3' H 1 4.576 0 . 1 . . . . . 3 C H3' . 52126 2 32 . 1 . 1 3 3 C H4' H 1 4.039 0.001 . 1 . . . . . 3 C H4' . 52126 2 33 . 1 . 1 3 3 C H5 H 1 5.229 0 . 1 . . . . . 3 C H5 . 52126 2 34 . 1 . 1 3 3 C H5' H 1 2.651 0.012 . 1 . . . . . 3 C H5' . 52126 2 35 . 1 . 1 3 3 C H5'' H 1 2.53 0.002 . 1 . . . . . 3 C H5'' . 52126 2 36 . 1 . 1 3 3 C H6 H 1 7.356 0.002 . 1 . . . . . 3 C H6 . 52126 2 37 . 1 . 1 3 3 C C1' C 13 89.095 0 . 1 . . . . . 3 C C1' . 52126 2 38 . 1 . 1 3 3 C C2' C 13 78.47 0 . 1 . . . . . 3 C C2' . 52126 2 39 . 1 . 1 3 3 C C3' C 13 77.243 0 . 1 . . . . . 3 C C3' . 52126 2 40 . 1 . 1 3 3 C C4' C 13 85.188 0 . 1 . . . . . 3 C C4' . 52126 2 41 . 1 . 1 3 3 C C5 C 13 98.611 0 . 1 . . . . . 3 C C5 . 52126 2 42 . 1 . 1 3 3 C C5' C 13 60.542 0.014 . 1 . . . . . 3 C C5' . 52126 2 43 . 1 . 1 3 3 C C6 C 13 142.222 0 . 1 . . . . . 3 C C6 . 52126 2 44 . 1 . 1 4 4 X H1' H 1 5.868 0 . 1 . . . . . 4 X H1' . 52126 2 45 . 1 . 1 4 4 X H2' H 1 4.401 0.001 . 1 . . . . . 4 X H2' . 52126 2 46 . 1 . 1 4 4 X H3' H 1 5.108 0 . 1 . . . . . 4 X H3' . 52126 2 47 . 1 . 1 4 4 X H4' H 1 4.305 0.001 . 1 . . . . . 4 X H4' . 52126 2 48 . 1 . 1 4 4 X H5' H 1 4.267 0 . 1 . . . . . 4 X H5' . 52126 2 49 . 1 . 1 4 4 X H5'' H 1 4.209 0.001 . 1 . . . . . 4 X H5'' . 52126 2 50 . 1 . 1 4 4 X C1' C 13 92.945 0 . 1 . . . . . 4 X C1' . 52126 2 51 . 1 . 1 4 4 X C2' C 13 75.47 0 . 1 . . . . . 4 X C2' . 52126 2 52 . 1 . 1 4 4 X C3' C 13 75.766 0 . 1 . . . . . 4 X C3' . 52126 2 53 . 1 . 1 4 4 X C4' C 13 84.092 0 . 1 . . . . . 4 X C4' . 52126 2 54 . 1 . 1 4 4 X C5' C 13 68.385 0.002 . 1 . . . . . 4 X C5' . 52126 2 55 . 1 . 1 4 4 X C9 C 13 18.298 0 . 1 . . . . . 4 X C9 . 52126 2 56 . 1 . 1 4 4 X H9 H 1 2.194 0.002 . 1 . . . . . 4 X M9 . 52126 2 57 . 1 . 1 5 5 C H1' H 1 5.786 0.002 . 1 . . . . . 5 C H1' . 52126 2 58 . 1 . 1 5 5 C H2' H 1 3.971 0.001 . 1 . . . . . 5 C H2' . 52126 2 59 . 1 . 1 5 5 C H3' H 1 4.531 0 . 1 . . . . . 5 C H3' . 52126 2 60 . 1 . 1 5 5 C H4' H 1 4.01 0.001 . 1 . . . . . 5 C H4' . 52126 2 61 . 1 . 1 5 5 C H5 H 1 5.064 0.001 . 1 . . . . . 5 C H5 . 52126 2 62 . 1 . 1 5 5 C H5' H 1 2.648 0.004 . 1 . . . . . 5 C H5' . 52126 2 63 . 1 . 1 5 5 C H5'' H 1 2.53 0.002 . 1 . . . . . 5 C H5'' . 52126 2 64 . 1 . 1 5 5 C H6 H 1 7.232 0.002 . 1 . . . . . 5 C H6 . 52126 2 65 . 1 . 1 5 5 C C1' C 13 88.737 0 . 1 . . . . . 5 C C1' . 52126 2 66 . 1 . 1 5 5 C C2' C 13 78.576 0 . 1 . . . . . 5 C C2' . 52126 2 67 . 1 . 1 5 5 C C3' C 13 77.464 0 . 1 . . . . . 5 C C3' . 52126 2 68 . 1 . 1 5 5 C C4' C 13 84.759 0 . 1 . . . . . 5 C C4' . 52126 2 69 . 1 . 1 5 5 C C5 C 13 98.754 0 . 1 . . . . . 5 C C5 . 52126 2 70 . 1 . 1 5 5 C C5' C 13 67.543 0.055 . 1 . . . . . 5 C C5' . 52126 2 71 . 1 . 1 5 5 C C6 C 13 142.006 0 . 1 . . . . . 5 C C6 . 52126 2 72 . 1 . 1 6 6 G H1' H 1 5.849 0.007 . 1 . . . . . 6 G H1' . 52126 2 73 . 1 . 1 6 6 G H2' H 1 5.176 0.001 . 1 . . . . . 6 G H2' . 52126 2 74 . 1 . 1 6 6 G H3' H 1 4.68 0.003 . 1 . . . . . 6 G H3' . 52126 2 75 . 1 . 1 6 6 G H4' H 1 4.286 0 . 1 . . . . . 6 G H4' . 52126 2 76 . 1 . 1 6 6 G H5' H 1 4.284 0.004 . 1 . . . . . 6 G H5' . 52126 2 77 . 1 . 1 6 6 G H5'' H 1 4.156 0.002 . 1 . . . . . 6 G H5'' . 52126 2 78 . 1 . 1 6 6 G H8 H 1 7.859 0.001 . 1 . . . . . 6 G H8 . 52126 2 79 . 1 . 1 6 6 G C1' C 13 93.031 0 . 1 . . . . . 6 G C1' . 52126 2 80 . 1 . 1 6 6 G C2' C 13 74.546 0 . 1 . . . . . 6 G C2' . 52126 2 81 . 1 . 1 6 6 G C3' C 13 72.99 0 . 1 . . . . . 6 G C3' . 52126 2 82 . 1 . 1 6 6 G C4' C 13 86.346 0 . 1 . . . . . 6 G C4' . 52126 2 83 . 1 . 1 6 6 G C5' C 13 69.159 0.019 . 1 . . . . . 6 G C5' . 52126 2 84 . 1 . 1 6 6 G C8 C 13 142.862 0 . 1 . . . . . 6 G C8 . 52126 2 stop_ save_