################################### # 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 52690 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RKEC1_dopamine_298K _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 '1D 1H' . . . 52690 1 2 '2D 1H-1H NOESY' . . . 52690 1 3 '2D 1H-13C HSQC' . . . 52690 1 4 '2D 1H-1H NOESY' . . . 52690 1 5 '2D 1H-1H TOCSY' . . . 52690 1 6 '2D 1H-15N HSQC' . . . 52690 1 7 '2D 1H-15N HSQC' . . . 52690 1 8 '2D 1H-13C HSQC' . . . 52690 1 9 '2D 1H-13C HSQC' . . . 52690 1 10 '2D 1H-15N HSQC' . . . 52690 1 11 '2D 1H-15N HSQC' . . . 52690 1 12 '2D 1H-13C HSQC' . . . 52690 1 13 '2D 1H-15N HSQC' . . . 52690 1 14 '2D 1H-15N HSQC' . . . 52690 1 15 '2D 1H-13C HSQC' . . . 52690 1 16 '2D 1H-15N HSQC' . . . 52690 1 17 '2D 1H-15N HSQC' . . . 52690 1 18 '2D 1H-13C HSQC' . . . 52690 1 19 '2D 1H-15N HSQC' . . . 52690 1 20 '2D 1H-13C HSQC' . . . 52690 1 21 '2D DQF-COSY' . . . 52690 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 . . 52690 1 2 $software_2 . . 52690 1 3 $software_3 . . 52690 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 DT H1' H 1 6.358 0.02 . 1 . . . . . 11 DT H1' . 52690 1 2 . 1 . 1 1 1 DT H2' H 1 1.919 0.02 . 1 . . . . . 11 DT H2' . 52690 1 3 . 1 . 1 1 1 DT H2'' H 1 2.928 0.02 . 1 . . . . . 11 DT H2'' . 52690 1 4 . 1 . 1 1 1 DT H3' H 1 4.933 0.02 . 1 . . . . . 11 DT H3' . 52690 1 5 . 1 . 1 1 1 DT H4' H 1 4.238 0.02 . 1 . . . . . 11 DT H4' . 52690 1 6 . 1 . 1 1 1 DT H5' H 1 3.952 0.02 . 2 . . . . . 11 DT H5' . 52690 1 7 . 1 . 1 1 1 DT H5'' H 1 3.827 0.02 . 2 . . . . . 11 DT H5'' . 52690 1 8 . 1 . 1 1 1 DT H6 H 1 7.76 0.02 . 1 . . . . . 11 DT H6 . 52690 1 9 . 1 . 1 1 1 DT H71 H 1 1.609 0.02 . 1 . . . . . 11 DT H71 . 52690 1 10 . 1 . 1 1 1 DT H72 H 1 1.609 0.02 . 1 . . . . . 11 DT H72 . 52690 1 11 . 1 . 1 1 1 DT H73 H 1 1.609 0.02 . 1 . . . . . 11 DT H73 . 52690 1 12 . 1 . 1 1 1 DT C1' C 13 87.359 0.2 . 1 . . . . . 11 DT C1' . 52690 1 13 . 1 . 1 1 1 DT C2' C 13 40.236 0.2 . 1 . . . . . 11 DT C2' . 52690 1 14 . 1 . 1 1 1 DT C3' C 13 80.818 0.2 . 1 . . . . . 11 DT C3' . 52690 1 15 . 1 . 1 1 1 DT C4' C 13 89.366 0.2 . 1 . . . . . 11 DT C4' . 52690 1 16 . 1 . 1 1 1 DT C5' C 13 64.358 0.2 . 1 . . . . . 11 DT C5' . 52690 1 17 . 1 . 1 1 1 DT C6 C 13 140.03 0.2 . 1 . . . . . 11 DT C6 . 52690 1 18 . 1 . 1 2 2 DT H1' H 1 5.834 0.02 . 1 . . . . . 12 DT H1' . 52690 1 19 . 1 . 1 2 2 DT H2' H 1 2.298 0.02 . 1 . . . . . 12 DT H2' . 52690 1 20 . 1 . 1 2 2 DT H2'' H 1 2.632 0.02 . 1 . . . . . 12 DT H2'' . 52690 1 21 . 1 . 1 2 2 DT H3' H 1 5.02 0.02 . 1 . . . . . 12 DT H3' . 52690 1 22 . 1 . 1 2 2 DT H4' H 1 4.307 0.02 . 1 . . . . . 12 DT H4' . 52690 1 23 . 1 . 1 2 2 DT H5' H 1 4.048 0.02 . 2 . . . . . 12 DT H5' . 52690 1 24 . 1 . 1 2 2 DT H6 H 1 7.442 0.02 . 1 . . . . . 12 DT H6 . 52690 1 25 . 1 . 1 2 2 DT H71 H 1 1.757 0.02 . 1 . . . . . 12 DT H71 . 52690 1 26 . 1 . 1 2 2 DT H72 H 1 1.757 0.02 . 1 . . . . . 12 DT H72 . 52690 1 27 . 1 . 1 2 2 DT H73 H 1 1.757 0.02 . 1 . . . . . 12 DT H73 . 52690 1 28 . 1 . 1 2 2 DT C1' C 13 84.286 0.2 . 1 . . . . . 12 DT C1' . 52690 1 29 . 1 . 1 2 2 DT C3' C 13 78.477 0.2 . 1 . . . . . 12 DT C3' . 52690 1 30 . 1 . 1 2 2 DT C6 C 13 139.139 0.2 . 1 . . . . . 12 DT C6 . 52690 1 31 . 1 . 1 3 3 DG H1' H 1 5.88 0.02 . 1 . . . . . 13 DG H1' . 52690 1 32 . 1 . 1 3 3 DG H2' H 1 2.802 0.02 . 1 . . . . . 13 DG H2' . 52690 1 33 . 1 . 1 3 3 DG H2'' H 1 2.698 0.02 . 1 . . . . . 13 DG H2'' . 52690 1 34 . 1 . 1 3 3 DG H3' H 1 5.067 0.02 . 1 . . . . . 13 DG H3' . 52690 1 35 . 1 . 1 3 3 DG H4' H 1 4.5 0.02 . 1 . . . . . 13 DG H4' . 52690 1 36 . 1 . 1 3 3 DG H5' H 1 4.32 0.02 . 2 . . . . . 13 DG H5' . 52690 1 37 . 1 . 1 3 3 DG H5'' H 1 4.25 0.02 . 2 . . . . . 13 DG H5'' . 52690 1 38 . 1 . 1 3 3 DG H8 H 1 8.027 0.02 . 1 . . . . . 13 DG H8 . 52690 1 39 . 1 . 1 3 3 DG C1' C 13 84.88 0.2 . 1 . . . . . 13 DG C1' . 52690 1 40 . 1 . 1 3 3 DG C3' C 13 80.105 0.2 . 1 . . . . . 13 DG C3' . 52690 1 41 . 1 . 1 3 3 DG C4' C 13 89.338 0.2 . 1 . . . . . 13 DG C4' . 52690 1 42 . 1 . 1 3 3 DG C5' C 13 69.617 0.2 . 1 . . . . . 13 DG C5' . 52690 1 43 . 1 . 1 3 3 DG C8 C 13 139.05 0.2 . 1 . . . . . 13 DG C8 . 52690 1 44 . 1 . 1 4 4 DA H1' H 1 6.053 0.02 . 1 . . . . . 14 DA H1' . 52690 1 45 . 1 . 1 4 4 DA H2 H 1 7.658 0.02 . 1 . . . . . 14 DA H2 . 52690 1 46 . 1 . 1 4 4 DA H2' H 1 2.163 0.02 . 1 . . . . . 14 DA H2' . 52690 1 47 . 1 . 1 4 4 DA H2'' H 1 2.428 0.02 . 1 . . . . . 14 DA H2'' . 52690 1 48 . 1 . 1 4 4 DA H3' H 1 4.566 0.02 . 1 . . . . . 14 DA H3' . 52690 1 49 . 1 . 1 4 4 DA H5' H 1 3.854 0.02 . 2 . . . . . 14 DA H5' . 52690 1 50 . 1 . 1 4 4 DA H5'' H 1 3.214 0.02 . 2 . . . . . 14 DA H5'' . 52690 1 51 . 1 . 1 4 4 DA H8 H 1 8.059 0.02 . 1 . . . . . 14 DA H8 . 52690 1 52 . 1 . 1 4 4 DA C1' C 13 87.701 0.2 . 1 . . . . . 14 DA C1' . 52690 1 53 . 1 . 1 4 4 DA C2 C 13 154.448 0.2 . 1 . . . . . 14 DA C2 . 52690 1 54 . 1 . 1 4 4 DA C3' C 13 80.064 0.2 . 1 . . . . . 14 DA C3' . 52690 1 55 . 1 . 1 4 4 DA C5' C 13 69.115 0.2 . 1 . . . . . 14 DA C5' . 52690 1 56 . 1 . 1 4 4 DA C8 C 13 141.291 0.2 . 1 . . . . . 14 DA C8 . 52690 1 57 . 1 . 1 5 5 DA H1' H 1 6.247 0.02 . 1 . . . . . 15 DA H1' . 52690 1 58 . 1 . 1 5 5 DA H2 H 1 8.014 0.02 . 1 . . . . . 15 DA H2 . 52690 1 59 . 1 . 1 5 5 DA H2' H 1 2.769 0.02 . 1 . . . . . 15 DA H2' . 52690 1 60 . 1 . 1 5 5 DA H2'' H 1 3.009 0.02 . 1 . . . . . 15 DA H2'' . 52690 1 61 . 1 . 1 5 5 DA H3' H 1 4.855 0.02 . 1 . . . . . 15 DA H3' . 52690 1 62 . 1 . 1 5 5 DA H4' H 1 4.401 0.02 . 1 . . . . . 15 DA H4' . 52690 1 63 . 1 . 1 5 5 DA H5' H 1 4.078 0.02 . 2 . . . . . 15 DA H5' . 52690 1 64 . 1 . 1 5 5 DA H5'' H 1 3.802 0.02 . 2 . . . . . 15 DA H5'' . 52690 1 65 . 1 . 1 5 5 DA H8 H 1 8.281 0.02 . 1 . . . . . 15 DA H8 . 52690 1 66 . 1 . 1 5 5 DA C1' C 13 85.578 0.2 . 1 . . . . . 15 DA C1' . 52690 1 67 . 1 . 1 5 5 DA C2 C 13 155.396 0.2 . 1 . . . . . 15 DA C2 . 52690 1 68 . 1 . 1 5 5 DA C3' C 13 80.535 0.2 . 1 . . . . . 15 DA C3' . 52690 1 69 . 1 . 1 5 5 DA C4' C 13 89.22 0.2 . 1 . . . . . 15 DA C4' . 52690 1 70 . 1 . 1 5 5 DA C5' C 13 69.297 0.2 . 1 . . . . . 15 DA C5' . 52690 1 71 . 1 . 1 5 5 DA C8 C 13 142.274 0.2 . 1 . . . . . 15 DA C8 . 52690 1 72 . 1 . 1 6 6 DG H1' H 1 4.914 0.02 . 1 . . . . . 16 DG H1' . 52690 1 73 . 1 . 1 6 6 DG H2' H 1 2.561 0.02 . 1 . . . . . 16 DG H2' . 52690 1 74 . 1 . 1 6 6 DG H2'' H 1 2.651 0.02 . 1 . . . . . 16 DG H2'' . 52690 1 75 . 1 . 1 6 6 DG H3' H 1 4.992 0.02 . 1 . . . . . 16 DG H3' . 52690 1 76 . 1 . 1 6 6 DG H4' H 1 4.398 0.02 . 1 . . . . . 16 DG H4' . 52690 1 77 . 1 . 1 6 6 DG H5' H 1 4.22 0.02 . 2 . . . . . 16 DG H5' . 52690 1 78 . 1 . 1 6 6 DG H8 H 1 7.986 0.02 . 1 . . . . . 16 DG H8 . 52690 1 79 . 1 . 1 6 6 DG C1' C 13 83.54 0.2 . 1 . . . . . 16 DG C1' . 52690 1 80 . 1 . 1 6 6 DG C3' C 13 76.653 0.2 . 1 . . . . . 16 DG C3' . 52690 1 81 . 1 . 1 6 6 DG C4' C 13 87.317 0.2 . 1 . . . . . 16 DG C4' . 52690 1 82 . 1 . 1 6 6 DG C8 C 13 138.42 0.2 . 1 . . . . . 16 DG C8 . 52690 1 83 . 1 . 1 7 7 DG H1' H 1 6.215 0.02 . 1 . . . . . 17 DG H1' . 52690 1 84 . 1 . 1 7 7 DG H2' H 1 2.694 0.02 . 1 . . . . . 17 DG H2' . 52690 1 85 . 1 . 1 7 7 DG H2'' H 1 2.693 0.02 . 1 . . . . . 17 DG H2'' . 52690 1 86 . 1 . 1 7 7 DG H3' H 1 4.872 0.02 . 1 . . . . . 17 DG H3' . 52690 1 87 . 1 . 1 7 7 DG H4' H 1 4.393 0.02 . 1 . . . . . 17 DG H4' . 52690 1 88 . 1 . 1 7 7 DG H5' H 1 4.355 0.02 . 2 . . . . . 17 DG H5' . 52690 1 89 . 1 . 1 7 7 DG H5'' H 1 4.296 0.02 . 2 . . . . . 17 DG H5'' . 52690 1 90 . 1 . 1 7 7 DG H8 H 1 8.052 0.02 . 1 . . . . . 17 DG H8 . 52690 1 91 . 1 . 1 7 7 DG C1' C 13 85.662 0.2 . 1 . . . . . 17 DG C1' . 52690 1 92 . 1 . 1 7 7 DG C3' C 13 81.523 0.2 . 1 . . . . . 17 DG C3' . 52690 1 93 . 1 . 1 7 7 DG C4' C 13 86.417 0.2 . 1 . . . . . 17 DG C4' . 52690 1 94 . 1 . 1 7 7 DG C5' C 13 68.334 0.2 . 1 . . . . . 17 DG C5' . 52690 1 95 . 1 . 1 7 7 DG C8 C 13 138.65 0.2 . 1 . . . . . 17 DG C8 . 52690 1 96 . 1 . 1 8 8 DT H1' H 1 6.171 0.02 . 1 . . . . . 18 DT H1' . 52690 1 97 . 1 . 1 8 8 DT H2' H 1 2.172 0.02 . 1 . . . . . 18 DT H2' . 52690 1 98 . 1 . 1 8 8 DT H2'' H 1 2.389 0.02 . 1 . . . . . 18 DT H2'' . 52690 1 99 . 1 . 1 8 8 DT H3' H 1 4.819 0.02 . 1 . . . . . 18 DT H3' . 52690 1 100 . 1 . 1 8 8 DT H4' H 1 4.303 0.02 . 1 . . . . . 18 DT H4' . 52690 1 101 . 1 . 1 8 8 DT H5' H 1 4.382 0.02 . 2 . . . . . 18 DT H5' . 52690 1 102 . 1 . 1 8 8 DT H5'' H 1 4.207 0.02 . 2 . . . . . 18 DT H5'' . 52690 1 103 . 1 . 1 8 8 DT H6 H 1 7.435 0.02 . 1 . . . . . 18 DT H6 . 52690 1 104 . 1 . 1 8 8 DT H71 H 1 1.173 0.02 . 1 . . . . . 18 DT H71 . 52690 1 105 . 1 . 1 8 8 DT H72 H 1 1.173 0.02 . 1 . . . . . 18 DT H72 . 52690 1 106 . 1 . 1 8 8 DT H73 H 1 1.173 0.02 . 1 . . . . . 18 DT H73 . 52690 1 107 . 1 . 1 8 8 DT C1' C 13 85.992 0.2 . 1 . . . . . 18 DT C1' . 52690 1 108 . 1 . 1 8 8 DT C2' C 13 41.206 0.2 . 1 . . . . . 18 DT C2' . 52690 1 109 . 1 . 1 8 8 DT C3' C 13 71.905 0.2 . 1 . . . . . 18 DT C3' . 52690 1 110 . 1 . 1 8 8 DT C4' C 13 84.445 0.2 . 1 . . . . . 18 DT C4' . 52690 1 111 . 1 . 1 8 8 DT C5' C 13 64.724 0.2 . 1 . . . . . 18 DT C5' . 52690 1 112 . 1 . 1 8 8 DT C6 C 13 139.534 0.2 . 1 . . . . . 18 DT C6 . 52690 1 113 . 1 . 1 8 8 DT C7 C 13 13.656 0.2 . 1 . . . . . 18 DT C7 . 52690 1 114 . 1 . 1 9 9 DT H1' H 1 6.294 0.02 . 1 . . . . . 19 DT H1' . 52690 1 115 . 1 . 1 9 9 DT H2' H 1 2.292 0.02 . 1 . . . . . 19 DT H2' . 52690 1 116 . 1 . 1 9 9 DT H2'' H 1 2.807 0.02 . 1 . . . . . 19 DT H2'' . 52690 1 117 . 1 . 1 9 9 DT H3' H 1 4.888 0.02 . 1 . . . . . 19 DT H3' . 52690 1 118 . 1 . 1 9 9 DT H4' H 1 4.353 0.02 . 1 . . . . . 19 DT H4' . 52690 1 119 . 1 . 1 9 9 DT H5' H 1 4.28 0.02 . 2 . . . . . 19 DT H5' . 52690 1 120 . 1 . 1 9 9 DT H5'' H 1 4.191 0.02 . 2 . . . . . 19 DT H5'' . 52690 1 121 . 1 . 1 9 9 DT H6 H 1 7.446 0.02 . 1 . . . . . 19 DT H6 . 52690 1 122 . 1 . 1 9 9 DT H71 H 1 1.504 0.02 . 1 . . . . . 19 DT H71 . 52690 1 123 . 1 . 1 9 9 DT H72 H 1 1.504 0.02 . 1 . . . . . 19 DT H72 . 52690 1 124 . 1 . 1 9 9 DT H73 H 1 1.504 0.02 . 1 . . . . . 19 DT H73 . 52690 1 125 . 1 . 1 9 9 DT C1' C 13 86.451 0.2 . 1 . . . . . 19 DT C1' . 52690 1 126 . 1 . 1 9 9 DT C2' C 13 39.707 0.2 . 1 . . . . . 19 DT C2' . 52690 1 127 . 1 . 1 9 9 DT C3' C 13 79.699 0.2 . 1 . . . . . 19 DT C3' . 52690 1 128 . 1 . 1 9 9 DT C4' C 13 86.441 0.2 . 1 . . . . . 19 DT C4' . 52690 1 129 . 1 . 1 9 9 DT C5' C 13 64.287 0.2 . 1 . . . . . 19 DT C5' . 52690 1 130 . 1 . 1 9 9 DT C6 C 13 139.763 0.2 . 1 . . . . . 19 DT C6 . 52690 1 131 . 1 . 1 9 9 DT C7 C 13 14.7 0.2 . 1 . . . . . 19 DT C7 . 52690 1 132 . 1 . 1 10 10 DC H1' H 1 5.951 0.02 . 1 . . . . . 20 DC H1' . 52690 1 133 . 1 . 1 10 10 DC H2' H 1 2.079 0.02 . 1 . . . . . 20 DC H2' . 52690 1 134 . 1 . 1 10 10 DC H2'' H 1 1.384 0.02 . 1 . . . . . 20 DC H2'' . 52690 1 135 . 1 . 1 10 10 DC H3' H 1 4.871 0.02 . 1 . . . . . 20 DC H3' . 52690 1 136 . 1 . 1 10 10 DC H4' H 1 3.819 0.02 . 1 . . . . . 20 DC H4' . 52690 1 137 . 1 . 1 10 10 DC H5 H 1 5.848 0.02 . 1 . . . . . 20 DC H5 . 52690 1 138 . 1 . 1 10 10 DC H5' H 1 3.963 0.02 . 2 . . . . . 20 DC H5' . 52690 1 139 . 1 . 1 10 10 DC H5'' H 1 4.062 0.02 . 2 . . . . . 20 DC H5'' . 52690 1 140 . 1 . 1 10 10 DC H6 H 1 7.397 0.02 . 1 . . . . . 20 DC H6 . 52690 1 141 . 1 . 1 10 10 DC C1' C 13 85.979 0.2 . 1 . . . . . 20 DC C1' . 52690 1 142 . 1 . 1 10 10 DC C3' C 13 76.546 0.2 . 1 . . . . . 20 DC C3' . 52690 1 143 . 1 . 1 10 10 DC C4' C 13 84.141 0.2 . 1 . . . . . 20 DC C4' . 52690 1 144 . 1 . 1 10 10 DC C5 C 13 99.838 0.2 . 1 . . . . . 20 DC C5 . 52690 1 145 . 1 . 1 10 10 DC C5' C 13 68.08 0.2 . 1 . . . . . 20 DC C5' . 52690 1 146 . 1 . 1 10 10 DC C6 C 13 143.119 0.2 . 1 . . . . . 20 DC C6 . 52690 1 147 . 1 . 1 11 11 DG H1 H 1 13.721 0.02 . 1 . . . . . 21 DG H1 . 52690 1 148 . 1 . 1 11 11 DG H1' H 1 6.037 0.02 . 1 . . . . . 21 DG H1' . 52690 1 149 . 1 . 1 11 11 DG H2' H 1 2.989 0.02 . 1 . . . . . 21 DG H2' . 52690 1 150 . 1 . 1 11 11 DG H2'' H 1 2.596 0.02 . 1 . . . . . 21 DG H2'' . 52690 1 151 . 1 . 1 11 11 DG H3' H 1 5.046 0.02 . 1 . . . . . 21 DG H3' . 52690 1 152 . 1 . 1 11 11 DG H4' H 1 4.48 0.02 . 1 . . . . . 21 DG H4' . 52690 1 153 . 1 . 1 11 11 DG H5' H 1 4.106 0.02 . 2 . . . . . 21 DG H5' . 52690 1 154 . 1 . 1 11 11 DG H8 H 1 8.098 0.02 . 1 . . . . . 21 DG H8 . 52690 1 155 . 1 . 1 11 11 DG H21 H 1 9.062 0.02 . 1 . . . . . 21 DG H21 . 52690 1 156 . 1 . 1 11 11 DG C1' C 13 86.097 0.2 . 1 . . . . . 21 DG C1' . 52690 1 157 . 1 . 1 11 11 DG C3' C 13 80.615 0.2 . 1 . . . . . 21 DG C3' . 52690 1 158 . 1 . 1 11 11 DG C4' C 13 88.788 0.2 . 1 . . . . . 21 DG C4' . 52690 1 159 . 1 . 1 11 11 DG C5' C 13 67.945 0.2 . 1 . . . . . 21 DG C5' . 52690 1 160 . 1 . 1 11 11 DG C8 C 13 139.546 0.2 . 1 . . . . . 21 DG C8 . 52690 1 161 . 1 . 1 11 11 DG N1 N 15 153.289 0.2 . 1 . . . . . 21 DG N1 . 52690 1 162 . 1 . 1 12 12 DT H1' H 1 6.178 0.02 . 1 . . . . . 22 DT H1' . 52690 1 163 . 1 . 1 12 12 DT H2' H 1 1.946 0.02 . 1 . . . . . 22 DT H2' . 52690 1 164 . 1 . 1 12 12 DT H2'' H 1 2.271 0.02 . 1 . . . . . 22 DT H2'' . 52690 1 165 . 1 . 1 12 12 DT H3' H 1 4.737 0.02 . 1 . . . . . 22 DT H3' . 52690 1 166 . 1 . 1 12 12 DT H4' H 1 3.752 0.02 . 1 . . . . . 22 DT H4' . 52690 1 167 . 1 . 1 12 12 DT H5' H 1 3.805 0.02 . 2 . . . . . 22 DT H5' . 52690 1 168 . 1 . 1 12 12 DT H5'' H 1 3.742 0.02 . 2 . . . . . 22 DT H5'' . 52690 1 169 . 1 . 1 12 12 DT H6 H 1 7.56 0.02 . 1 . . . . . 22 DT H6 . 52690 1 170 . 1 . 1 12 12 DT H71 H 1 1.641 0.02 . 1 . . . . . 22 DT H71 . 52690 1 171 . 1 . 1 12 12 DT H72 H 1 1.641 0.02 . 1 . . . . . 22 DT H72 . 52690 1 172 . 1 . 1 12 12 DT H73 H 1 1.641 0.02 . 1 . . . . . 22 DT H73 . 52690 1 173 . 1 . 1 12 12 DT C1' C 13 87.864 0.2 . 1 . . . . . 22 DT C1' . 52690 1 174 . 1 . 1 12 12 DT C4' C 13 87.389 0.2 . 1 . . . . . 22 DT C4' . 52690 1 175 . 1 . 1 12 12 DT C5' C 13 68.992 0.2 . 1 . . . . . 22 DT C5' . 52690 1 176 . 1 . 1 12 12 DT C6 C 13 138.969 0.2 . 1 . . . . . 22 DT C6 . 52690 1 177 . 1 . 1 13 13 DT H1' H 1 6.441 0.02 . 1 . . . . . 23 DT H1' . 52690 1 178 . 1 . 1 13 13 DT H2' H 1 2.32 0.02 . 1 . . . . . 23 DT H2' . 52690 1 179 . 1 . 1 13 13 DT H2'' H 1 2.497 0.02 . 1 . . . . . 23 DT H2'' . 52690 1 180 . 1 . 1 13 13 DT H3' H 1 4.483 0.02 . 1 . . . . . 23 DT H3' . 52690 1 181 . 1 . 1 13 13 DT H4' H 1 4.557 0.02 . 1 . . . . . 23 DT H4' . 52690 1 182 . 1 . 1 13 13 DT H5' H 1 4.164 0.02 . 2 . . . . . 23 DT H5' . 52690 1 183 . 1 . 1 13 13 DT H5'' H 1 3.992 0.02 . 2 . . . . . 23 DT H5'' . 52690 1 184 . 1 . 1 13 13 DT H6 H 1 7.788 0.02 . 1 . . . . . 23 DT H6 . 52690 1 185 . 1 . 1 13 13 DT H71 H 1 1.891 0.02 . 1 . . . . . 23 DT H71 . 52690 1 186 . 1 . 1 13 13 DT H72 H 1 1.891 0.02 . 1 . . . . . 23 DT H72 . 52690 1 187 . 1 . 1 13 13 DT H73 H 1 1.891 0.02 . 1 . . . . . 23 DT H73 . 52690 1 188 . 1 . 1 13 13 DT C1' C 13 87.893 0.2 . 1 . . . . . 23 DT C1' . 52690 1 189 . 1 . 1 13 13 DT C2' C 13 41.07 0.2 . 1 . . . . . 23 DT C2' . 52690 1 190 . 1 . 1 13 13 DT C3' C 13 79.538 0.2 . 1 . . . . . 23 DT C3' . 52690 1 191 . 1 . 1 13 13 DT C4' C 13 86.903 0.2 . 1 . . . . . 23 DT C4' . 52690 1 192 . 1 . 1 13 13 DT C5' C 13 68.602 0.2 . 1 . . . . . 23 DT C5' . 52690 1 193 . 1 . 1 13 13 DT C6 C 13 139.914 0.2 . 1 . . . . . 23 DT C6 . 52690 1 194 . 1 . 1 13 13 DT C7 C 13 14.336 0.2 . 1 . . . . . 23 DT C7 . 52690 1 195 . 1 . 1 14 14 DC H1' H 1 6.233 0.02 . 1 . . . . . 24 DC H1' . 52690 1 196 . 1 . 1 14 14 DC H2' H 1 1.747 0.02 . 1 . . . . . 24 DC H2' . 52690 1 197 . 1 . 1 14 14 DC H2'' H 1 2.134 0.02 . 1 . . . . . 24 DC H2'' . 52690 1 198 . 1 . 1 14 14 DC H3' H 1 4.871 0.02 . 1 . . . . . 24 DC H3' . 52690 1 199 . 1 . 1 14 14 DC H4' H 1 4.333 0.02 . 1 . . . . . 24 DC H4' . 52690 1 200 . 1 . 1 14 14 DC H5 H 1 6.165 0.02 . 1 . . . . . 24 DC H5 . 52690 1 201 . 1 . 1 14 14 DC H5' H 1 4.062 0.02 . 2 . . . . . 24 DC H5' . 52690 1 202 . 1 . 1 14 14 DC H5'' H 1 3.971 0.02 . 2 . . . . . 24 DC H5'' . 52690 1 203 . 1 . 1 14 14 DC H6 H 1 7.619 0.02 . 1 . . . . . 24 DC H6 . 52690 1 204 . 1 . 1 14 14 DC C1' C 13 86.614 0.2 . 1 . . . . . 24 DC C1' . 52690 1 205 . 1 . 1 14 14 DC C3' C 13 73.416 0.2 . 1 . . . . . 24 DC C3' . 52690 1 206 . 1 . 1 14 14 DC C4' C 13 86.87 0.2 . 1 . . . . . 24 DC C4' . 52690 1 207 . 1 . 1 14 14 DC C5 C 13 101.968 0.2 . 1 . . . . . 24 DC C5 . 52690 1 208 . 1 . 1 14 14 DC C5' C 13 68.005 0.2 . 1 . . . . . 24 DC C5' . 52690 1 209 . 1 . 1 14 14 DC C6 C 13 142.864 0.2 . 1 . . . . . 24 DC C6 . 52690 1 210 . 1 . 1 15 15 DG H1' H 1 7.032 0.02 . 1 . . . . . 25 DG H1' . 52690 1 211 . 1 . 1 15 15 DG H2' H 1 3.169 0.02 . 1 . . . . . 25 DG H2' . 52690 1 212 . 1 . 1 15 15 DG H2'' H 1 2.873 0.02 . 1 . . . . . 25 DG H2'' . 52690 1 213 . 1 . 1 15 15 DG H3' H 1 5.269 0.02 . 1 . . . . . 25 DG H3' . 52690 1 214 . 1 . 1 15 15 DG H4' H 1 4.862 0.02 . 1 . . . . . 25 DG H4' . 52690 1 215 . 1 . 1 15 15 DG H5' H 1 4.325 0.02 . 2 . . . . . 25 DG H5' . 52690 1 216 . 1 . 1 15 15 DG H5'' H 1 4.06 0.02 . 2 . . . . . 25 DG H5'' . 52690 1 217 . 1 . 1 15 15 DG H8 H 1 8.234 0.02 . 1 . . . . . 25 DG H8 . 52690 1 218 . 1 . 1 15 15 DG C1' C 13 86.605 0.2 . 1 . . . . . 25 DG C1' . 52690 1 219 . 1 . 1 15 15 DG C2' C 13 39.251 0.2 . 1 . . . . . 25 DG C2' . 52690 1 220 . 1 . 1 15 15 DG C3' C 13 80.676 0.2 . 1 . . . . . 25 DG C3' . 52690 1 221 . 1 . 1 15 15 DG C4' C 13 89.022 0.2 . 1 . . . . . 25 DG C4' . 52690 1 222 . 1 . 1 15 15 DG C5' C 13 68.315 0.2 . 1 . . . . . 25 DG C5' . 52690 1 223 . 1 . 1 15 15 DG C8 C 13 139.481 0.2 . 1 . . . . . 25 DG C8 . 52690 1 224 . 1 . 1 16 16 DC H1' H 1 5.7 0.02 . 1 . . . . . 26 DC H1' . 52690 1 225 . 1 . 1 16 16 DC H2' H 1 -0.386 0.02 . 1 . . . . . 26 DC H2' . 52690 1 226 . 1 . 1 16 16 DC H2'' H 1 1.337 0.02 . 1 . . . . . 26 DC H2'' . 52690 1 227 . 1 . 1 16 16 DC H3' H 1 3.991 0.02 . 1 . . . . . 26 DC H3' . 52690 1 228 . 1 . 1 16 16 DC H4' H 1 4.078 0.02 . 1 . . . . . 26 DC H4' . 52690 1 229 . 1 . 1 16 16 DC H5 H 1 5.64 0.02 . 1 . . . . . 26 DC H5 . 52690 1 230 . 1 . 1 16 16 DC H5' H 1 3.956 0.02 . 2 . . . . . 26 DC H5' . 52690 1 231 . 1 . 1 16 16 DC H5'' H 1 3.815 0.02 . 2 . . . . . 26 DC H5'' . 52690 1 232 . 1 . 1 16 16 DC H6 H 1 7.684 0.02 . 1 . . . . . 26 DC H6 . 52690 1 233 . 1 . 1 16 16 DC C1' C 13 88.266 0.2 . 1 . . . . . 26 DC C1' . 52690 1 234 . 1 . 1 16 16 DC C3' C 13 79.262 0.2 . 1 . . . . . 26 DC C3' . 52690 1 235 . 1 . 1 16 16 DC C4' C 13 87.711 0.2 . 1 . . . . . 26 DC C4' . 52690 1 236 . 1 . 1 16 16 DC C5 C 13 99.385 0.2 . 1 . . . . . 26 DC C5 . 52690 1 237 . 1 . 1 16 16 DC C5' C 13 68.418 0.2 . 1 . . . . . 26 DC C5' . 52690 1 238 . 1 . 1 16 16 DC C6 C 13 142.489 0.2 . 1 . . . . . 26 DC C6 . 52690 1 239 . 1 . 1 17 17 DA H1' H 1 3.915 0.02 . 1 . . . . . 27 DA H1' . 52690 1 240 . 1 . 1 17 17 DA H2 H 1 8.179 0.02 . 1 . . . . . 27 DA H2 . 52690 1 241 . 1 . 1 17 17 DA H2' H 1 2.802 0.02 . 1 . . . . . 27 DA H2' . 52690 1 242 . 1 . 1 17 17 DA H2'' H 1 2.541 0.02 . 1 . . . . . 27 DA H2'' . 52690 1 243 . 1 . 1 17 17 DA H3' H 1 4.789 0.02 . 1 . . . . . 27 DA H3' . 52690 1 244 . 1 . 1 17 17 DA H4' H 1 4.3 0.02 . 1 . . . . . 27 DA H4' . 52690 1 245 . 1 . 1 17 17 DA H5' H 1 3.772 0.02 . 2 . . . . . 27 DA H5' . 52690 1 246 . 1 . 1 17 17 DA H8 H 1 8.301 0.02 . 1 . . . . . 27 DA H8 . 52690 1 247 . 1 . 1 17 17 DA C1' C 13 86.329 0.2 . 1 . . . . . 27 DA C1' . 52690 1 248 . 1 . 1 17 17 DA C2 C 13 154.9 0.2 . 1 . . . . . 27 DA C2 . 52690 1 249 . 1 . 1 17 17 DA C3' C 13 73.068 0.2 . 1 . . . . . 27 DA C3' . 52690 1 250 . 1 . 1 17 17 DA C4' C 13 86.165 0.2 . 1 . . . . . 27 DA C4' . 52690 1 251 . 1 . 1 17 17 DA C8 C 13 141.95 0.2 . 1 . . . . . 27 DA C8 . 52690 1 252 . 1 . 1 18 18 DG H1 H 1 11.563 0.02 . 1 . . . . . 28 DG H1 . 52690 1 253 . 1 . 1 18 18 DG H1' H 1 6.171 0.02 . 1 . . . . . 28 DG H1' . 52690 1 254 . 1 . 1 18 18 DG H2' H 1 2.504 0.02 . 1 . . . . . 28 DG H2' . 52690 1 255 . 1 . 1 18 18 DG H2'' H 1 2.756 0.02 . 1 . . . . . 28 DG H2'' . 52690 1 256 . 1 . 1 18 18 DG H3' H 1 5.005 0.02 . 1 . . . . . 28 DG H3' . 52690 1 257 . 1 . 1 18 18 DG H4' H 1 4.557 0.02 . 1 . . . . . 28 DG H4' . 52690 1 258 . 1 . 1 18 18 DG H5' H 1 4.14 0.02 . 2 . . . . . 28 DG H5' . 52690 1 259 . 1 . 1 18 18 DG H5'' H 1 4.066 0.02 . 2 . . . . . 28 DG H5'' . 52690 1 260 . 1 . 1 18 18 DG H8 H 1 7.285 0.02 . 1 . . . . . 28 DG H8 . 52690 1 261 . 1 . 1 18 18 DG H21 H 1 9.673 0.02 . 2 . . . . . 28 DG H21 . 52690 1 262 . 1 . 1 18 18 DG H22 H 1 6.269 0.02 . 2 . . . . . 28 DG H22 . 52690 1 263 . 1 . 1 18 18 DG C1' C 13 85.063 0.2 . 1 . . . . . 28 DG C1' . 52690 1 264 . 1 . 1 18 18 DG C3' C 13 80.947 0.2 . 1 . . . . . 28 DG C3' . 52690 1 265 . 1 . 1 18 18 DG C4' C 13 88.073 0.2 . 1 . . . . . 28 DG C4' . 52690 1 266 . 1 . 1 18 18 DG C5' C 13 68.722 0.2 . 1 . . . . . 28 DG C5' . 52690 1 267 . 1 . 1 18 18 DG C8 C 13 137.76 0.2 . 1 . . . . . 28 DG C8 . 52690 1 268 . 1 . 1 18 18 DG N1 N 15 150.549 0.2 . 1 . . . . . 28 DG N1 . 52690 1 269 . 1 . 1 18 18 DG N2 N 15 79.323 0.2 . 1 . . . . . 28 DG N2 . 52690 1 270 . 1 . 1 19 19 DG H1 H 1 13.781 0.02 . 1 . . . . . 29 DG H1 . 52690 1 271 . 1 . 1 19 19 DG H1' H 1 5.672 0.02 . 1 . . . . . 29 DG H1' . 52690 1 272 . 1 . 1 19 19 DG H2' H 1 2.752 0.02 . 1 . . . . . 29 DG H2' . 52690 1 273 . 1 . 1 19 19 DG H2'' H 1 2.391 0.02 . 1 . . . . . 29 DG H2'' . 52690 1 274 . 1 . 1 19 19 DG H3' H 1 5.016 0.02 . 1 . . . . . 29 DG H3' . 52690 1 275 . 1 . 1 19 19 DG H4' H 1 4.428 0.02 . 1 . . . . . 29 DG H4' . 52690 1 276 . 1 . 1 19 19 DG H5' H 1 4.2 0.02 . 2 . . . . . 29 DG H5' . 52690 1 277 . 1 . 1 19 19 DG H5'' H 1 4.579 0.02 . 2 . . . . . 29 DG H5'' . 52690 1 278 . 1 . 1 19 19 DG H8 H 1 8.256 0.02 . 1 . . . . . 29 DG H8 . 52690 1 279 . 1 . 1 19 19 DG H21 H 1 7.829 0.02 . 2 . . . . . 29 DG H21 . 52690 1 280 . 1 . 1 19 19 DG H22 H 1 7.508 0.02 . 2 . . . . . 29 DG H22 . 52690 1 281 . 1 . 1 19 19 DG C1' C 13 85.243 0.2 . 1 . . . . . 29 DG C1' . 52690 1 282 . 1 . 1 19 19 DG C2' C 13 40.951 0.2 . 1 . . . . . 29 DG C2' . 52690 1 283 . 1 . 1 19 19 DG C3' C 13 80.397 0.2 . 1 . . . . . 29 DG C3' . 52690 1 284 . 1 . 1 19 19 DG C4' C 13 88.171 0.2 . 1 . . . . . 29 DG C4' . 52690 1 285 . 1 . 1 19 19 DG C5' C 13 68.419 0.2 . 1 . . . . . 29 DG C5' . 52690 1 286 . 1 . 1 19 19 DG C8 C 13 139.171 0.2 . 1 . . . . . 29 DG C8 . 52690 1 287 . 1 . 1 19 19 DG N1 N 15 151.962 0.2 . 1 . . . . . 29 DG N1 . 52690 1 288 . 1 . 1 19 19 DG N2 N 15 76.204 0.2 . 1 . . . . . 29 DG N2 . 52690 1 289 . 1 . 1 20 20 DT H1' H 1 5.982 0.02 . 1 . . . . . 30 DT H1' . 52690 1 290 . 1 . 1 20 20 DT H2' H 1 1.718 0.02 . 1 . . . . . 30 DT H2' . 52690 1 291 . 1 . 1 20 20 DT H2'' H 1 2.086 0.02 . 1 . . . . . 30 DT H2'' . 52690 1 292 . 1 . 1 20 20 DT H3' H 1 4.558 0.02 . 1 . . . . . 30 DT H3' . 52690 1 293 . 1 . 1 20 20 DT H4' H 1 3.083 0.02 . 1 . . . . . 30 DT H4' . 52690 1 294 . 1 . 1 20 20 DT H5' H 1 3.357 0.02 . 2 . . . . . 30 DT H5' . 52690 1 295 . 1 . 1 20 20 DT H5'' H 1 2.773 0.02 . 2 . . . . . 30 DT H5'' . 52690 1 296 . 1 . 1 20 20 DT H6 H 1 7.395 0.02 . 1 . . . . . 30 DT H6 . 52690 1 297 . 1 . 1 20 20 DT H71 H 1 1.525 0.02 . 1 . . . . . 30 DT H71 . 52690 1 298 . 1 . 1 20 20 DT H72 H 1 1.525 0.02 . 1 . . . . . 30 DT H72 . 52690 1 299 . 1 . 1 20 20 DT H73 H 1 1.525 0.02 . 1 . . . . . 30 DT H73 . 52690 1 300 . 1 . 1 20 20 DT C1' C 13 88.241 0.2 . 1 . . . . . 30 DT C1' . 52690 1 301 . 1 . 1 20 20 DT C3' C 13 80.643 0.2 . 1 . . . . . 30 DT C3' . 52690 1 302 . 1 . 1 20 20 DT C4' C 13 87.243 0.2 . 1 . . . . . 30 DT C4' . 52690 1 303 . 1 . 1 20 20 DT C5' C 13 67.54 0.2 . 1 . . . . . 30 DT C5' . 52690 1 304 . 1 . 1 20 20 DT C6 C 13 138.389 0.2 . 1 . . . . . 30 DT C6 . 52690 1 305 . 1 . 1 20 20 DT C7 C 13 14.968 0.2 . 1 . . . . . 30 DT C7 . 52690 1 306 . 1 . 1 21 21 DG H1 H 1 11.344 0.02 . 1 . . . . . 31 DG H1 . 52690 1 307 . 1 . 1 21 21 DG H1' H 1 5.992 0.02 . 1 . . . . . 31 DG H1' . 52690 1 308 . 1 . 1 21 21 DG H2' H 1 3.497 0.02 . 1 . . . . . 31 DG H2' . 52690 1 309 . 1 . 1 21 21 DG H2'' H 1 2.667 0.02 . 1 . . . . . 31 DG H2'' . 52690 1 310 . 1 . 1 21 21 DG H3' H 1 4.714 0.02 . 1 . . . . . 31 DG H3' . 52690 1 311 . 1 . 1 21 21 DG H4' H 1 4.304 0.02 . 1 . . . . . 31 DG H4' . 52690 1 312 . 1 . 1 21 21 DG H5' H 1 3.941 0.02 . 2 . . . . . 31 DG H5' . 52690 1 313 . 1 . 1 21 21 DG H8 H 1 7.63 0.02 . 1 . . . . . 31 DG H8 . 52690 1 314 . 1 . 1 21 21 DG H21 H 1 6.652 0.02 . 2 . . . . . 31 DG H21 . 52690 1 315 . 1 . 1 21 21 DG C1' C 13 89.85 0.2 . 1 . . . . . 31 DG C1' . 52690 1 316 . 1 . 1 21 21 DG C2' C 13 34.421 0.2 . 1 . . . . . 31 DG C2' . 52690 1 317 . 1 . 1 21 21 DG C3' C 13 80.498 0.2 . 1 . . . . . 31 DG C3' . 52690 1 318 . 1 . 1 21 21 DG C4' C 13 89.36 0.2 . 1 . . . . . 31 DG C4' . 52690 1 319 . 1 . 1 21 21 DG C8 C 13 142.881 0.2 . 1 . . . . . 31 DG C8 . 52690 1 320 . 1 . 1 21 21 DG N1 N 15 150.561 0.2 . 1 . . . . . 31 DG N1 . 52690 1 321 . 1 . 1 21 21 DG N2 N 15 74.659 0.2 . 1 . . . . . 31 DG N2 . 52690 1 322 . 1 . 1 22 22 DT H1' H 1 5.641 0.02 . 1 . . . . . 32 DT H1' . 52690 1 323 . 1 . 1 22 22 DT H2' H 1 2.254 0.02 . 1 . . . . . 32 DT H2' . 52690 1 324 . 1 . 1 22 22 DT H2'' H 1 2.254 0.02 . 1 . . . . . 32 DT H2'' . 52690 1 325 . 1 . 1 22 22 DT H3' H 1 4.895 0.02 . 1 . . . . . 32 DT H3' . 52690 1 326 . 1 . 1 22 22 DT H4' H 1 4.14 0.02 . 1 . . . . . 32 DT H4' . 52690 1 327 . 1 . 1 22 22 DT H5' H 1 4.044 0.02 . 2 . . . . . 32 DT H5' . 52690 1 328 . 1 . 1 22 22 DT H5'' H 1 4.139 0.02 . 2 . . . . . 32 DT H5'' . 52690 1 329 . 1 . 1 22 22 DT H6 H 1 7.28 0.02 . 1 . . . . . 32 DT H6 . 52690 1 330 . 1 . 1 22 22 DT H71 H 1 1.369 0.02 . 1 . . . . . 32 DT H71 . 52690 1 331 . 1 . 1 22 22 DT H72 H 1 1.369 0.02 . 1 . . . . . 32 DT H72 . 52690 1 332 . 1 . 1 22 22 DT H73 H 1 1.369 0.02 . 1 . . . . . 32 DT H73 . 52690 1 333 . 1 . 1 22 22 DT C1' C 13 85.663 0.2 . 1 . . . . . 32 DT C1' . 52690 1 334 . 1 . 1 22 22 DT C2' C 13 38.216 0.2 . 1 . . . . . 32 DT C2' . 52690 1 335 . 1 . 1 22 22 DT C3' C 13 77.721 0.2 . 1 . . . . . 32 DT C3' . 52690 1 336 . 1 . 1 22 22 DT C4' C 13 85.834 0.2 . 1 . . . . . 32 DT C4' . 52690 1 337 . 1 . 1 22 22 DT C5' C 13 67.181 0.2 . 1 . . . . . 32 DT C5' . 52690 1 338 . 1 . 1 22 22 DT C6 C 13 138.712 0.2 . 1 . . . . . 32 DT C6 . 52690 1 339 . 1 . 1 22 22 DT C7 C 13 13.388 0.2 . 1 . . . . . 32 DT C7 . 52690 1 340 . 1 . 1 23 23 DG H1 H 1 13.784 0.02 . 1 . . . . . 33 DG H1 . 52690 1 341 . 1 . 1 23 23 DG H1' H 1 5.924 0.02 . 1 . . . . . 33 DG H1' . 52690 1 342 . 1 . 1 23 23 DG H2' H 1 2.804 0.02 . 1 . . . . . 33 DG H2' . 52690 1 343 . 1 . 1 23 23 DG H2'' H 1 3.051 0.02 . 1 . . . . . 33 DG H2'' . 52690 1 344 . 1 . 1 23 23 DG H3' H 1 5.009 0.02 . 1 . . . . . 33 DG H3' . 52690 1 345 . 1 . 1 23 23 DG H4' H 1 4.2 0.02 . 1 . . . . . 33 DG H4' . 52690 1 346 . 1 . 1 23 23 DG H5' H 1 4.014 0.02 . 1 . . . . . 33 DG H5' . 52690 1 347 . 1 . 1 23 23 DG H5'' H 1 3.943 0.02 . 1 . . . . . 33 DG H5'' . 52690 1 348 . 1 . 1 23 23 DG H8 H 1 7.524 0.02 . 1 . . . . . 33 DG H8 . 52690 1 349 . 1 . 1 23 23 DG C1' C 13 84.548 0.2 . 1 . . . . . 33 DG C1' . 52690 1 350 . 1 . 1 23 23 DG C2' C 13 37.433 0.2 . 1 . . . . . 33 DG C2' . 52690 1 351 . 1 . 1 23 23 DG C3' C 13 80.321 0.2 . 1 . . . . . 33 DG C3' . 52690 1 352 . 1 . 1 23 23 DG C4' C 13 87.566 0.2 . 1 . . . . . 33 DG C4' . 52690 1 353 . 1 . 1 23 23 DG C5' C 13 67.87 0.2 . 1 . . . . . 33 DG C5' . 52690 1 354 . 1 . 1 23 23 DG C8 C 13 137.101 0.2 . 1 . . . . . 33 DG C8 . 52690 1 355 . 1 . 1 23 23 DG N1 N 15 152.1 0.2 . 1 . . . . . 33 DG N1 . 52690 1 356 . 1 . 1 24 24 DG H1' H 1 5.524 0.02 . 1 . . . . . 34 DG H1' . 52690 1 357 . 1 . 1 24 24 DG H2' H 1 2.554 0.02 . 1 . . . . . 34 DG H2' . 52690 1 358 . 1 . 1 24 24 DG H2'' H 1 2.32 0.02 . 1 . . . . . 34 DG H2'' . 52690 1 359 . 1 . 1 24 24 DG H3' H 1 4.915 0.02 . 1 . . . . . 34 DG H3' . 52690 1 360 . 1 . 1 24 24 DG H4' H 1 4.277 0.02 . 1 . . . . . 34 DG H4' . 52690 1 361 . 1 . 1 24 24 DG H5' H 1 4.202 0.02 . 2 . . . . . 34 DG H5' . 52690 1 362 . 1 . 1 24 24 DG H8 H 1 7.673 0.02 . 1 . . . . . 34 DG H8 . 52690 1 363 . 1 . 1 24 24 DG C1' C 13 83.652 0.2 . 1 . . . . . 34 DG C1' . 52690 1 364 . 1 . 1 24 24 DG C3' C 13 77.314 0.2 . 1 . . . . . 34 DG C3' . 52690 1 365 . 1 . 1 24 24 DG C4' C 13 86.168 0.2 . 1 . . . . . 34 DG C4' . 52690 1 366 . 1 . 1 24 24 DG C8 C 13 137.804 0.2 . 1 . . . . . 34 DG C8 . 52690 1 367 . 1 . 1 25 25 DA H1' H 1 5.899 0.02 . 1 . . . . . 35 DA H1' . 52690 1 368 . 1 . 1 25 25 DA H2 H 1 8.085 0.02 . 1 . . . . . 35 DA H2 . 52690 1 369 . 1 . 1 25 25 DA H2' H 1 1.412 0.02 . 1 . . . . . 35 DA H2' . 52690 1 370 . 1 . 1 25 25 DA H2'' H 1 2.06 0.02 . 1 . . . . . 35 DA H2'' . 52690 1 371 . 1 . 1 25 25 DA H3' H 1 4.779 0.02 . 1 . . . . . 35 DA H3' . 52690 1 372 . 1 . 1 25 25 DA H4' H 1 4.296 0.02 . 1 . . . . . 35 DA H4' . 52690 1 373 . 1 . 1 25 25 DA H5' H 1 4.093 0.02 . 2 . . . . . 35 DA H5' . 52690 1 374 . 1 . 1 25 25 DA H5'' H 1 4.023 0.02 . 2 . . . . . 35 DA H5'' . 52690 1 375 . 1 . 1 25 25 DA H8 H 1 7.382 0.02 . 1 . . . . . 35 DA H8 . 52690 1 376 . 1 . 1 25 25 DA C1' C 13 83.948 0.2 . 1 . . . . . 35 DA C1' . 52690 1 377 . 1 . 1 25 25 DA C2 C 13 154.722 0.2 . 1 . . . . . 35 DA C2 . 52690 1 378 . 1 . 1 25 25 DA C5 C 13 67.976 0.2 . 1 . . . . . 35 DA C5 . 52690 1 379 . 1 . 1 25 25 DA C8 C 13 139.442 0.2 . 1 . . . . . 35 DA C8 . 52690 1 380 . 1 . 1 26 26 DG H1' H 1 5.473 0.02 . 1 . . . . . 36 DG H1' . 52690 1 381 . 1 . 1 26 26 DG H2' H 1 2.791 0.02 . 1 . . . . . 36 DG H2' . 52690 1 382 . 1 . 1 26 26 DG H2'' H 1 2.48 0.02 . 1 . . . . . 36 DG H2'' . 52690 1 383 . 1 . 1 26 26 DG H3' H 1 5.011 0.02 . 1 . . . . . 36 DG H3' . 52690 1 384 . 1 . 1 26 26 DG H4' H 1 4.313 0.02 . 1 . . . . . 36 DG H4' . 52690 1 385 . 1 . 1 26 26 DG H5' H 1 3.877 0.02 . 2 . . . . . 36 DG H5' . 52690 1 386 . 1 . 1 26 26 DG H5'' H 1 3.883 0.02 . 2 . . . . . 36 DG H5'' . 52690 1 387 . 1 . 1 26 26 DG H8 H 1 7.99 0.02 . 1 . . . . . 36 DG H8 . 52690 1 388 . 1 . 1 26 26 DG C1' C 13 84.996 0.2 . 1 . . . . . 36 DG C1' . 52690 1 389 . 1 . 1 26 26 DG C3' C 13 80.388 0.2 . 1 . . . . . 36 DG C3' . 52690 1 390 . 1 . 1 26 26 DG C5' C 13 67.815 0.2 . 1 . . . . . 36 DG C5' . 52690 1 391 . 1 . 1 26 26 DG C8 C 13 138.717 0.2 . 1 . . . . . 36 DG C8 . 52690 1 392 . 1 . 1 27 27 DT H1' H 1 5.939 0.02 . 1 . . . . . 37 DT H1' . 52690 1 393 . 1 . 1 27 27 DT H2' H 1 2.231 0.02 . 1 . . . . . 37 DT H2' . 52690 1 394 . 1 . 1 27 27 DT H2'' H 1 2.063 0.02 . 1 . . . . . 37 DT H2'' . 52690 1 395 . 1 . 1 27 27 DT H3' H 1 4.37 0.02 . 1 . . . . . 37 DT H3' . 52690 1 396 . 1 . 1 27 27 DT H4' H 1 4.126 0.02 . 1 . . . . . 37 DT H4' . 52690 1 397 . 1 . 1 27 27 DT H5' H 1 4.005 0.02 . 2 . . . . . 37 DT H5' . 52690 1 398 . 1 . 1 27 27 DT H5'' H 1 4.005 0.02 . 2 . . . . . 37 DT H5'' . 52690 1 399 . 1 . 1 27 27 DT H6 H 1 7.482 0.02 . 1 . . . . . 37 DT H6 . 52690 1 400 . 1 . 1 27 27 DT H71 H 1 1.644 0.02 . 1 . . . . . 37 DT H71 . 52690 1 401 . 1 . 1 27 27 DT H72 H 1 1.644 0.02 . 1 . . . . . 37 DT H72 . 52690 1 402 . 1 . 1 27 27 DT H73 H 1 1.644 0.02 . 1 . . . . . 37 DT H73 . 52690 1 403 . 1 . 1 27 27 DT C1' C 13 88.763 0.2 . 1 . . . . . 37 DT C1' . 52690 1 404 . 1 . 1 27 27 DT C3' C 13 73.119 0.2 . 1 . . . . . 37 DT C3' . 52690 1 405 . 1 . 1 27 27 DT C4' C 13 88.27 0.2 . 1 . . . . . 37 DT C4' . 52690 1 406 . 1 . 1 27 27 DT C5' C 13 67.534 0.2 . 1 . . . . . 37 DT C5' . 52690 1 407 . 1 . 1 27 27 DT C6 C 13 138.794 0.2 . 1 . . . . . 37 DT C6 . 52690 1 408 . 2 . 2 1 1 LDP H2 H 1 6.624 0.02 . 1 . . . . . 38 LDP H2 . 52690 1 409 . 2 . 2 1 1 LDP H5 H 1 5.375 0.02 . 1 . . . . . 38 LDP H5 . 52690 1 410 . 2 . 2 1 1 LDP H6 H 1 5.979 0.02 . 1 . . . . . 38 LDP H6 . 52690 1 411 . 2 . 2 1 1 LDP H71 H 1 2.823 0.02 . 2 . . . . . 38 LDP H71 . 52690 1 412 . 2 . 2 1 1 LDP H72 H 1 2.428 0.02 . 2 . . . . . 38 LDP H72 . 52690 1 413 . 2 . 2 1 1 LDP HB1 H 1 3.191 0.02 . 2 . . . . . 38 LDP HB1 . 52690 1 414 . 2 . 2 1 1 LDP HB2 H 1 2.98 0.02 . 2 . . . . . 38 LDP HB2 . 52690 1 stop_ save_