################################### # 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 53233 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ChemicalShifts_298K_alpha5SL5a_WT _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' . . . 53233 1 2 '3D HCCNH-TOCSY' . . . 53233 1 3 '2D 1H-15N HSQC' . . . 53233 1 4 '2D 1H-1H NOESY' . . . 53233 1 5 '2D 1H-13C HSQC' . . . 53233 1 6 '2D 1H-13C HSQC' . . . 53233 1 7 '2D 1H-1H NOESY' . . . 53233 1 8 '2D 1H-1H TOCSY' . . . 53233 1 9 '2D 1H-1H NOESY' . . . 53233 1 10 '2D 1H-1H TOCSY' . . . 53233 1 11 '3D HCNC' . . . 53233 1 12 '3D HCCH-TOCSY' . . . 53233 1 13 '2D 1H-13C HSQC' . . . 53233 1 14 '2D 1H-13C HSQC' . . . 53233 1 15 '2D 1H-13C HSQC' . . . 53233 1 16 '3D NOESY-HSQC' . . . 53233 1 17 '3D HCN' . . . 53233 1 18 '2D 1H-15N HNN-COSY' . . . 53233 1 19 '2D 1H-15N TROSY' . . . 53233 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 2 $software_2 . . 53233 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.839 0.000 . 1 . . . . . 1 G H1' . 53233 1 2 . 1 . 1 1 1 G H8 H 1 8.157 0.003 . 1 . . . . . 1 G H8 . 53233 1 3 . 1 . 1 1 1 G C1' C 13 91.458 0.000 . 1 . . . . . 1 G C1' . 53233 1 4 . 1 . 1 1 1 G C8 C 13 139.082 0.019 . 1 . . . . . 1 G C8 . 53233 1 5 . 1 . 1 1 1 G N7 N 15 232.589 0.000 . 1 . . . . . 1 G N7 . 53233 1 6 . 1 . 1 1 1 G N9 N 15 168.724 0.061 . 1 . . . . . 1 G N9 . 53233 1 7 . 1 . 1 2 2 G H1 H 1 13.340 0.004 . 1 . . . . . 2 G H1 . 53233 1 8 . 1 . 1 2 2 G H1' H 1 5.925 0.007 . 1 . . . . . 2 G H1' . 53233 1 9 . 1 . 1 2 2 G H8 H 1 7.611 0.003 . 1 . . . . . 2 G H8 . 53233 1 10 . 1 . 1 2 2 G C1' C 13 91.800 0.000 . 1 . . . . . 2 G C1' . 53233 1 11 . 1 . 1 2 2 G C8 C 13 136.707 0.045 . 1 . . . . . 2 G C8 . 53233 1 12 . 1 . 1 2 2 G N1 N 15 149.295 0.004 . 1 . . . . . 2 G N1 . 53233 1 13 . 1 . 1 2 2 G N7 N 15 233.849 0.000 . 1 . . . . . 2 G N7 . 53233 1 14 . 1 . 1 2 2 G N9 N 15 169.324 0.053 . 1 . . . . . 2 G N9 . 53233 1 15 . 1 . 1 3 3 C H1' H 1 5.583 0.003 . 1 . . . . . 3 C H1' . 53233 1 16 . 1 . 1 3 3 C H5 H 1 5.307 0.004 . 1 . . . . . 3 C H5 . 53233 1 17 . 1 . 1 3 3 C H6 H 1 7.642 0.017 . 1 . . . . . 3 C H6 . 53233 1 18 . 1 . 1 3 3 C H41 H 1 6.758 0.007 . 1 . . . . . 3 C H41 . 53233 1 19 . 1 . 1 3 3 C H42 H 1 8.452 0.004 . 1 . . . . . 3 C H42 . 53233 1 20 . 1 . 1 3 3 C C1' C 13 93.844 0.044 . 1 . . . . . 3 C C1' . 53233 1 21 . 1 . 1 3 3 C C2' C 13 75.720 0.000 . 1 . . . . . 3 C C2' . 53233 1 22 . 1 . 1 3 3 C C3' C 13 72.268 0.000 . 1 . . . . . 3 C C3' . 53233 1 23 . 1 . 1 3 3 C C4' C 13 81.800 0.000 . 1 . . . . . 3 C C4' . 53233 1 24 . 1 . 1 3 3 C C5 C 13 97.660 0.000 . 1 . . . . . 3 C C5 . 53233 1 25 . 1 . 1 3 3 C C5' C 13 64.783 0.000 . 1 . . . . . 3 C C5' . 53233 1 26 . 1 . 1 3 3 C C6 C 13 140.559 0.047 . 1 . . . . . 3 C C6 . 53233 1 27 . 1 . 1 3 3 C N1 N 15 150.373 0.000 . 1 . . . . . 3 C N1 . 53233 1 28 . 1 . 1 3 3 C N3 N 15 197.126 0.000 . 1 . . . . . 3 C N3 . 53233 1 29 . 1 . 1 4 4 G H1 H 1 12.910 0.005 . 1 . . . . . 4 G H1 . 53233 1 30 . 1 . 1 4 4 G H1' H 1 5.772 0.006 . 1 . . . . . 4 G H1' . 53233 1 31 . 1 . 1 4 4 G H8 H 1 7.557 0.004 . 1 . . . . . 4 G H8 . 53233 1 32 . 1 . 1 4 4 G C1' C 13 93.272 0.035 . 1 . . . . . 4 G C1' . 53233 1 33 . 1 . 1 4 4 G C2' C 13 75.539 0.000 . 1 . . . . . 4 G C2' . 53233 1 34 . 1 . 1 4 4 G C3' C 13 73.066 0.000 . 1 . . . . . 4 G C3' . 53233 1 35 . 1 . 1 4 4 G C4' C 13 82.135 0.000 . 1 . . . . . 4 G C4' . 53233 1 36 . 1 . 1 4 4 G C5' C 13 66.150 0.000 . 1 . . . . . 4 G C5' . 53233 1 37 . 1 . 1 4 4 G C8 C 13 136.252 0.030 . 1 . . . . . 4 G C8 . 53233 1 38 . 1 . 1 4 4 G N1 N 15 148.361 0.000 . 1 . . . . . 4 G N1 . 53233 1 39 . 1 . 1 4 4 G N7 N 15 235.767 0.000 . 1 . . . . . 4 G N7 . 53233 1 40 . 1 . 1 4 4 G N9 N 15 169.046 0.062 . 1 . . . . . 4 G N9 . 53233 1 41 . 1 . 1 5 5 U H1' H 1 5.512 0.004 . 1 . . . . . 5 U H1' . 53233 1 42 . 1 . 1 5 5 U H3 H 1 13.894 0.005 . 1 . . . . . 5 U H3 . 53233 1 43 . 1 . 1 5 5 U H5 H 1 5.130 0.007 . 1 . . . . . 5 U H5 . 53233 1 44 . 1 . 1 5 5 U H6 H 1 7.726 0.008 . 1 . . . . . 5 U H6 . 53233 1 45 . 1 . 1 5 5 U C1' C 13 93.608 0.001 . 1 . . . . . 5 U C1' . 53233 1 46 . 1 . 1 5 5 U C5 C 13 102.910 0.000 . 1 . . . . . 5 U C5 . 53233 1 47 . 1 . 1 5 5 U C6 C 13 141.128 0.028 . 1 . . . . . 5 U C6 . 53233 1 48 . 1 . 1 5 5 U N1 N 15 145.650 0.002 . 1 . . . . . 5 U N1 . 53233 1 49 . 1 . 1 5 5 U N3 N 15 163.075 0.019 . 1 . . . . . 5 U N3 . 53233 1 50 . 1 . 1 6 6 G H1 H 1 12.691 0.006 . 1 . . . . . 6 G H1 . 53233 1 51 . 1 . 1 6 6 G H1' H 1 5.826 0.003 . 1 . . . . . 6 G H1' . 53233 1 52 . 1 . 1 6 6 G H2' H 1 4.614 0.000 . 1 . . . . . 6 G H2' . 53233 1 53 . 1 . 1 6 6 G H8 H 1 7.705 0.004 . 1 . . . . . 6 G H8 . 53233 1 54 . 1 . 1 6 6 G C1' C 13 93.000 0.017 . 1 . . . . . 6 G C1' . 53233 1 55 . 1 . 1 6 6 G C2' C 13 75.823 0.000 . 1 . . . . . 6 G C2' . 53233 1 56 . 1 . 1 6 6 G C3' C 13 72.886 0.000 . 1 . . . . . 6 G C3' . 53233 1 57 . 1 . 1 6 6 G C4' C 13 82.341 0.000 . 1 . . . . . 6 G C4' . 53233 1 58 . 1 . 1 6 6 G C5' C 13 65.415 0.000 . 1 . . . . . 6 G C5' . 53233 1 59 . 1 . 1 6 6 G C8 C 13 136.660 0.039 . 1 . . . . . 6 G C8 . 53233 1 60 . 1 . 1 6 6 G N1 N 15 148.712 0.012 . 1 . . . . . 6 G N1 . 53233 1 61 . 1 . 1 6 6 G N7 N 15 236.724 0.000 . 1 . . . . . 6 G N7 . 53233 1 62 . 1 . 1 6 6 G N9 N 15 169.791 0.058 . 1 . . . . . 6 G N9 . 53233 1 63 . 1 . 1 7 7 U H1' H 1 5.783 0.005 . 1 . . . . . 7 U H1' . 53233 1 64 . 1 . 1 7 7 U H5 H 1 5.205 0.006 . 1 . . . . . 7 U H5 . 53233 1 65 . 1 . 1 7 7 U H6 H 1 7.571 0.005 . 1 . . . . . 7 U H6 . 53233 1 66 . 1 . 1 7 7 U C1' C 13 90.264 0.001 . 1 . . . . . 7 U C1' . 53233 1 67 . 1 . 1 7 7 U C5 C 13 104.762 0.000 . 1 . . . . . 7 U C5 . 53233 1 68 . 1 . 1 7 7 U C6 C 13 142.416 0.022 . 1 . . . . . 7 U C6 . 53233 1 69 . 1 . 1 7 7 U N1 N 15 143.260 0.000 . 1 . . . . . 7 U N1 . 53233 1 70 . 1 . 1 8 8 U H1' H 1 5.838 0.002 . 1 . . . . . 8 U H1' . 53233 1 71 . 1 . 1 8 8 U H5 H 1 5.832 0.005 . 1 . . . . . 8 U H5 . 53233 1 72 . 1 . 1 8 8 U H6 H 1 7.862 0.006 . 1 . . . . . 8 U H6 . 53233 1 73 . 1 . 1 8 8 U C1' C 13 91.520 0.067 . 1 . . . . . 8 U C1' . 53233 1 74 . 1 . 1 8 8 U C5 C 13 105.148 0.000 . 1 . . . . . 8 U C5 . 53233 1 75 . 1 . 1 8 8 U C6 C 13 143.558 0.030 . 1 . . . . . 8 U C6 . 53233 1 76 . 1 . 1 8 8 U N1 N 15 144.366 0.001 . 1 . . . . . 8 U N1 . 53233 1 77 . 1 . 1 9 9 C H1' H 1 6.049 0.001 . 1 . . . . . 9 C H1' . 53233 1 78 . 1 . 1 9 9 C H5 H 1 6.244 0.006 . 1 . . . . . 9 C H5 . 53233 1 79 . 1 . 1 9 9 C H6 H 1 7.847 0.009 . 1 . . . . . 9 C H6 . 53233 1 80 . 1 . 1 9 9 C C1' C 13 89.952 0.019 . 1 . . . . . 9 C C1' . 53233 1 81 . 1 . 1 9 9 C C5 C 13 99.772 0.000 . 1 . . . . . 9 C C5 . 53233 1 82 . 1 . 1 9 9 C C6 C 13 144.003 0.005 . 1 . . . . . 9 C C6 . 53233 1 83 . 1 . 1 9 9 C N1 N 15 149.358 0.002 . 1 . . . . . 9 C N1 . 53233 1 84 . 1 . 1 10 10 C H1' H 1 5.832 0.000 . 1 . . . . . 10 C H1' . 53233 1 85 . 1 . 1 10 10 C H5 H 1 5.874 0.008 . 1 . . . . . 10 C H5 . 53233 1 86 . 1 . 1 10 10 C H6 H 1 7.522 0.008 . 1 . . . . . 10 C H6 . 53233 1 87 . 1 . 1 10 10 C C1' C 13 89.689 0.000 . 1 . . . . . 10 C C1' . 53233 1 88 . 1 . 1 10 10 C C5 C 13 98.454 0.000 . 1 . . . . . 10 C C5 . 53233 1 89 . 1 . 1 10 10 C C6 C 13 142.869 0.005 . 1 . . . . . 10 C C6 . 53233 1 90 . 1 . 1 10 10 C N1 N 15 150.542 0.005 . 1 . . . . . 10 C N1 . 53233 1 91 . 1 . 1 11 11 G H1' H 1 5.928 0.006 . 1 . . . . . 11 G H1' . 53233 1 92 . 1 . 1 11 11 G H8 H 1 7.866 0.003 . 1 . . . . . 11 G H8 . 53233 1 93 . 1 . 1 11 11 G C1' C 13 93.023 0.014 . 1 . . . . . 11 G C1' . 53233 1 94 . 1 . 1 11 11 G C2' C 13 75.462 0.000 . 1 . . . . . 11 G C2' . 53233 1 95 . 1 . 1 11 11 G C3' C 13 73.066 0.000 . 1 . . . . . 11 G C3' . 53233 1 96 . 1 . 1 11 11 G C4' C 13 82.547 0.000 . 1 . . . . . 11 G C4' . 53233 1 97 . 1 . 1 11 11 G C5' C 13 66.548 0.000 . 1 . . . . . 11 G C5' . 53233 1 98 . 1 . 1 11 11 G C8 C 13 142.082 0.000 . 1 . . . . . 11 G C8 . 53233 1 99 . 1 . 1 11 11 G N7 N 15 234.418 0.000 . 1 . . . . . 11 G N7 . 53233 1 100 . 1 . 1 11 11 G N9 N 15 168.041 0.031 . 1 . . . . . 11 G N9 . 53233 1 101 . 1 . 1 12 12 U H1' H 1 5.864 0.048 . 1 . . . . . 12 U H1' . 53233 1 102 . 1 . 1 12 12 U H5 H 1 5.976 0.005 . 1 . . . . . 12 U H5 . 53233 1 103 . 1 . 1 12 12 U H6 H 1 7.937 0.006 . 1 . . . . . 12 U H6 . 53233 1 104 . 1 . 1 12 12 U C1' C 13 91.796 0.007 . 1 . . . . . 12 U C1' . 53233 1 105 . 1 . 1 12 12 U C5 C 13 105.313 0.000 . 1 . . . . . 12 U C5 . 53233 1 106 . 1 . 1 12 12 U C6 C 13 144.048 0.039 . 1 . . . . . 12 U C6 . 53233 1 107 . 1 . 1 12 12 U N1 N 15 144.790 0.000 . 1 . . . . . 12 U N1 . 53233 1 108 . 1 . 1 13 13 C H1' H 1 5.266 0.003 . 1 . . . . . 13 C H1' . 53233 1 109 . 1 . 1 13 13 C H5 H 1 5.777 0.005 . 1 . . . . . 13 C H5 . 53233 1 110 . 1 . 1 13 13 C H6 H 1 7.739 0.005 . 1 . . . . . 13 C H6 . 53233 1 111 . 1 . 1 13 13 C H41 H 1 7.148 0.010 . 1 . . . . . 13 C H41 . 53233 1 112 . 1 . 1 13 13 C H42 H 1 8.463 0.014 . 1 . . . . . 13 C H42 . 53233 1 113 . 1 . 1 13 13 C C1' C 13 94.012 0.013 . 1 . . . . . 13 C C1' . 53233 1 114 . 1 . 1 13 13 C C2' C 13 75.230 0.000 . 1 . . . . . 13 C C2' . 53233 1 115 . 1 . 1 13 13 C C3' C 13 72.837 0.000 . 1 . . . . . 13 C C3' . 53233 1 116 . 1 . 1 13 13 C C4' C 13 82.289 0.000 . 1 . . . . . 13 C C4' . 53233 1 117 . 1 . 1 13 13 C C5 C 13 98.591 0.000 . 1 . . . . . 13 C C5 . 53233 1 118 . 1 . 1 13 13 C C5' C 13 65.586 0.000 . 1 . . . . . 13 C C5' . 53233 1 119 . 1 . 1 13 13 C C6 C 13 141.588 0.027 . 1 . . . . . 13 C C6 . 53233 1 120 . 1 . 1 13 13 C N1 N 15 151.052 0.001 . 1 . . . . . 13 C N1 . 53233 1 121 . 1 . 1 13 13 C N3 N 15 197.167 0.000 . 1 . . . . . 13 C N3 . 53233 1 122 . 1 . 1 14 14 A H1' H 1 5.979 0.003 . 1 . . . . . 14 A H1' . 53233 1 123 . 1 . 1 14 14 A H2 H 1 7.425 0.004 . 1 . . . . . 14 A H2 . 53233 1 124 . 1 . 1 14 14 A H8 H 1 8.174 0.003 . 1 . . . . . 14 A H8 . 53233 1 125 . 1 . 1 14 14 A C1' C 13 92.936 0.043 . 1 . . . . . 14 A C1' . 53233 1 126 . 1 . 1 14 14 A C2 C 13 153.284 0.000 . 1 . . . . . 14 A C2 . 53233 1 127 . 1 . 1 14 14 A C2' C 13 75.642 0.000 . 1 . . . . . 14 A C2' . 53233 1 128 . 1 . 1 14 14 A C3' C 13 72.345 0.000 . 1 . . . . . 14 A C3' . 53233 1 129 . 1 . 1 14 14 A C4' C 13 82.032 0.000 . 1 . . . . . 14 A C4' . 53233 1 130 . 1 . 1 14 14 A C5' C 13 64.977 0.000 . 1 . . . . . 14 A C5' . 53233 1 131 . 1 . 1 14 14 A C8 C 13 139.710 0.012 . 1 . . . . . 14 A C8 . 53233 1 132 . 1 . 1 14 14 A N1 N 15 221.546 0.013 . 1 . . . . . 14 A N1 . 53233 1 133 . 1 . 1 14 14 A N3 N 15 212.922 0.000 . 1 . . . . . 14 A N3 . 53233 1 134 . 1 . 1 14 14 A N7 N 15 230.440 0.000 . 1 . . . . . 14 A N7 . 53233 1 135 . 1 . 1 14 14 A N9 N 15 171.017 0.059 . 1 . . . . . 14 A N9 . 53233 1 136 . 1 . 1 15 15 C H1' H 1 5.438 0.002 . 1 . . . . . 15 C H1' . 53233 1 137 . 1 . 1 15 15 C H5 H 1 5.256 0.005 . 1 . . . . . 15 C H5 . 53233 1 138 . 1 . 1 15 15 C H6 H 1 7.535 0.013 . 1 . . . . . 15 C H6 . 53233 1 139 . 1 . 1 15 15 C H41 H 1 6.836 0.011 . 1 . . . . . 15 C H41 . 53233 1 140 . 1 . 1 15 15 C H42 H 1 8.275 0.003 . 1 . . . . . 15 C H42 . 53233 1 141 . 1 . 1 15 15 C C1' C 13 93.361 0.031 . 1 . . . . . 15 C C1' . 53233 1 142 . 1 . 1 15 15 C C2' C 13 75.668 0.000 . 1 . . . . . 15 C C2' . 53233 1 143 . 1 . 1 15 15 C C3' C 13 72.305 0.000 . 1 . . . . . 15 C C3' . 53233 1 144 . 1 . 1 15 15 C C4' C 13 81.671 0.000 . 1 . . . . . 15 C C4' . 53233 1 145 . 1 . 1 15 15 C C5 C 13 97.669 0.000 . 1 . . . . . 15 C C5 . 53233 1 146 . 1 . 1 15 15 C C5' C 13 64.784 0.000 . 1 . . . . . 15 C C5' . 53233 1 147 . 1 . 1 15 15 C C6 C 13 140.182 0.026 . 1 . . . . . 15 C C6 . 53233 1 148 . 1 . 1 15 15 C N1 N 15 150.185 0.021 . 1 . . . . . 15 C N1 . 53233 1 149 . 1 . 1 15 15 C N3 N 15 197.126 0.000 . 1 . . . . . 15 C N3 . 53233 1 150 . 1 . 1 16 16 G H1 H 1 12.940 0.006 . 1 . . . . . 16 G H1 . 53233 1 151 . 1 . 1 16 16 G H1' H 1 5.708 0.002 . 1 . . . . . 16 G H1' . 53233 1 152 . 1 . 1 16 16 G H8 H 1 7.517 0.003 . 1 . . . . . 16 G H8 . 53233 1 153 . 1 . 1 16 16 G C1' C 13 93.077 0.051 . 1 . . . . . 16 G C1' . 53233 1 154 . 1 . 1 16 16 G C2' C 13 75.462 0.000 . 1 . . . . . 16 G C2' . 53233 1 155 . 1 . 1 16 16 G C3' C 13 72.783 0.000 . 1 . . . . . 16 G C3' . 53233 1 156 . 1 . 1 16 16 G C4' C 13 82.032 0.000 . 1 . . . . . 16 G C4' . 53233 1 157 . 1 . 1 16 16 G C5' C 13 65.658 0.000 . 1 . . . . . 16 G C5' . 53233 1 158 . 1 . 1 16 16 G C8 C 13 135.885 0.046 . 1 . . . . . 16 G C8 . 53233 1 159 . 1 . 1 16 16 G N1 N 15 148.768 0.033 . 1 . . . . . 16 G N1 . 53233 1 160 . 1 . 1 16 16 G N7 N 15 235.244 0.000 . 1 . . . . . 16 G N7 . 53233 1 161 . 1 . 1 16 16 G N9 N 15 168.753 0.063 . 1 . . . . . 16 G N9 . 53233 1 162 . 1 . 1 17 17 C H1' H 1 5.540 0.005 . 1 . . . . . 17 C H1' . 53233 1 163 . 1 . 1 17 17 C H5 H 1 5.226 0.005 . 1 . . . . . 17 C H5 . 53233 1 164 . 1 . 1 17 17 C H6 H 1 7.671 0.013 . 1 . . . . . 17 C H6 . 53233 1 165 . 1 . 1 17 17 C H41 H 1 6.851 0.012 . 1 . . . . . 17 C H41 . 53233 1 166 . 1 . 1 17 17 C H42 H 1 8.545 0.010 . 1 . . . . . 17 C H42 . 53233 1 167 . 1 . 1 17 17 C C1' C 13 94.524 0.056 . 1 . . . . . 17 C C1' . 53233 1 168 . 1 . 1 17 17 C C2' C 13 75.720 0.000 . 1 . . . . . 17 C C2' . 53233 1 169 . 1 . 1 17 17 C C3' C 13 71.984 0.000 . 1 . . . . . 17 C C3' . 53233 1 170 . 1 . 1 17 17 C C4' C 13 82.135 0.000 . 1 . . . . . 17 C C4' . 53233 1 171 . 1 . 1 17 17 C C5 C 13 97.030 0.000 . 1 . . . . . 17 C C5 . 53233 1 172 . 1 . 1 17 17 C C5' C 13 64.468 0.000 . 1 . . . . . 17 C C5' . 53233 1 173 . 1 . 1 17 17 C C6 C 13 141.204 0.017 . 1 . . . . . 17 C C6 . 53233 1 174 . 1 . 1 17 17 C N1 N 15 151.304 0.002 . 1 . . . . . 17 C N1 . 53233 1 175 . 1 . 1 17 17 C N3 N 15 198.283 0.000 . 1 . . . . . 17 C N3 . 53233 1 176 . 1 . 1 18 18 C H1' H 1 6.123 0.006 . 1 . . . . . 18 C H1' . 53233 1 177 . 1 . 1 18 18 C H5 H 1 5.547 0.017 . 1 . . . . . 18 C H5 . 53233 1 178 . 1 . 1 18 18 C H6 H 1 7.536 0.080 . 1 . . . . . 18 C H6 . 53233 1 179 . 1 . 1 18 18 C H41 H 1 7.018 0.061 . 1 . . . . . 18 C H41 . 53233 1 180 . 1 . 1 18 18 C H42 H 1 8.495 0.069 . 1 . . . . . 18 C H42 . 53233 1 181 . 1 . 1 18 18 C C1' C 13 91.983 0.009 . 1 . . . . . 18 C C1' . 53233 1 182 . 1 . 1 18 18 C C5 C 13 99.286 0.000 . 1 . . . . . 18 C C5 . 53233 1 183 . 1 . 1 18 18 C C6 C 13 141.663 0.035 . 1 . . . . . 18 C C6 . 53233 1 184 . 1 . 1 18 18 C N1 N 15 150.104 0.001 . 1 . . . . . 18 C N1 . 53233 1 stop_ save_