################################### # 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 53690 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20C_H2O _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-13C HMBC' . . . 53690 1 2 '2D 1H-1H NOESY' . . . 53690 1 3 '2D 1H-31P COSY' . . . 53690 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 . . 53690 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 DG H1 H 1 12.065 0.01 . 1 . . . . . 1 DG H1 . 53690 1 2 . 1 . 1 1 1 DG H1' H 1 5.959 0.01 . 1 . . . . . 1 DG H1' . 53690 1 3 . 1 . 1 1 1 DG H2' H 1 2.931 0.01 . 1 . . . . . 1 DG H2' . 53690 1 4 . 1 . 1 1 1 DG H2'' H 1 3.045 0.01 . 1 . . . . . 1 DG H2'' . 53690 1 5 . 1 . 1 1 1 DG H3' H 1 5.025 0.01 . 1 . . . . . 1 DG H3' . 53690 1 6 . 1 . 1 1 1 DG H4' H 1 4.395 0.01 . 1 . . . . . 1 DG H4' . 53690 1 7 . 1 . 1 1 1 DG H5' H 1 4.028 0.01 . 2 . . . . . 1 DG H5' . 53690 1 8 . 1 . 1 1 1 DG H5'' H 1 3.944 0.01 . 2 . . . . . 1 DG H5'' . 53690 1 9 . 1 . 1 1 1 DG H8 H 1 7.492 0.01 . 1 . . . . . 1 DG H8 . 53690 1 10 . 1 . 1 1 1 DG C5 C 13 115.709 0.20 . 1 . . . . . 1 DG C5 . 53690 1 11 . 1 . 1 2 2 DG H1 H 1 12.055 0.01 . 1 . . . . . 2 DG H1 . 53690 1 12 . 1 . 1 2 2 DG H1' H 1 6.012 0.01 . 1 . . . . . 2 DG H1' . 53690 1 13 . 1 . 1 2 2 DG H2' H 1 2.687 0.01 . 1 . . . . . 2 DG H2' . 53690 1 14 . 1 . 1 2 2 DG H2'' H 1 2.488 0.01 . 1 . . . . . 2 DG H2'' . 53690 1 15 . 1 . 1 2 2 DG H3' H 1 5.096 0.01 . 1 . . . . . 2 DG H3' . 53690 1 16 . 1 . 1 2 2 DG H4' H 1 4.391 0.01 . 1 . . . . . 2 DG H4' . 53690 1 17 . 1 . 1 2 2 DG H5' H 1 4.286 0.01 . 2 . . . . . 2 DG H5' . 53690 1 18 . 1 . 1 2 2 DG H5'' H 1 4.245 0.01 . 2 . . . . . 2 DG H5'' . 53690 1 19 . 1 . 1 2 2 DG H8 H 1 8.044 0.01 . 1 . . . . . 2 DG H8 . 53690 1 20 . 1 . 1 2 2 DG C5 C 13 114.786 0.20 . 1 . . . . . 2 DG C5 . 53690 1 21 . 1 . 1 2 2 DG P P 31 -4.289 0.05 . 1 . . . . . 2 DG P . 53690 1 22 . 1 . 1 3 3 DT H1' H 1 6.374 0.01 . 1 . . . . . 3 DT H1' . 53690 1 23 . 1 . 1 3 3 DT H2' H 1 2.361 0.01 . 1 . . . . . 3 DT H2' . 53690 1 24 . 1 . 1 3 3 DT H2'' H 1 2.618 0.01 . 1 . . . . . 3 DT H2'' . 53690 1 25 . 1 . 1 3 3 DT H3' H 1 4.861 0.01 . 1 . . . . . 3 DT H3' . 53690 1 26 . 1 . 1 3 3 DT H4' H 1 4.419 0.01 . 1 . . . . . 3 DT H4' . 53690 1 27 . 1 . 1 3 3 DT H5' H 1 4.247 0.01 . 2 . . . . . 3 DT H5' . 53690 1 28 . 1 . 1 3 3 DT H5'' H 1 4.179 0.01 . 2 . . . . . 3 DT H5'' . 53690 1 29 . 1 . 1 3 3 DT H6 H 1 7.886 0.01 . 1 . . . . . 3 DT H6 . 53690 1 30 . 1 . 1 3 3 DT H71 H 1 1.996 0.01 . 3 . . . . . 3 DT H71 . 53690 1 31 . 1 . 1 3 3 DT H72 H 1 1.996 0.01 . 3 . . . . . 3 DT H72 . 53690 1 32 . 1 . 1 3 3 DT H73 H 1 1.996 0.01 . 3 . . . . . 3 DT H73 . 53690 1 33 . 1 . 1 3 3 DT P P 31 -3.704 0.05 . 1 . . . . . 3 DT P . 53690 1 34 . 1 . 1 4 4 DT H1' H 1 6.043 0.01 . 1 . . . . . 4 DT H1' . 53690 1 35 . 1 . 1 4 4 DT H2' H 1 2.022 0.01 . 1 . . . . . 4 DT H2' . 53690 1 36 . 1 . 1 4 4 DT H2'' H 1 2.314 0.01 . 1 . . . . . 4 DT H2'' . 53690 1 37 . 1 . 1 4 4 DT H3' H 1 4.702 0.01 . 1 . . . . . 4 DT H3' . 53690 1 38 . 1 . 1 4 4 DT H4' H 1 4.041 0.01 . 1 . . . . . 4 DT H4' . 53690 1 39 . 1 . 1 4 4 DT H5' H 1 4.116 0.01 . 2 . . . . . 4 DT H5' . 53690 1 40 . 1 . 1 4 4 DT H6 H 1 7.428 0.01 . 1 . . . . . 4 DT H6 . 53690 1 41 . 1 . 1 4 4 DT H71 H 1 1.684 0.01 . 3 . . . . . 4 DT H71 . 53690 1 42 . 1 . 1 4 4 DT H72 H 1 1.684 0.01 . 3 . . . . . 4 DT H72 . 53690 1 43 . 1 . 1 4 4 DT H73 H 1 1.684 0.01 . 3 . . . . . 4 DT H73 . 53690 1 44 . 1 . 1 4 4 DT P P 31 -4.434 0.05 . 1 . . . . . 4 DT P . 53690 1 45 . 1 . 1 5 5 DT H1' H 1 5.986 0.01 . 1 . . . . . 5 DT H1' . 53690 1 46 . 1 . 1 5 5 DT H2' H 1 2.035 0.01 . 1 . . . . . 5 DT H2' . 53690 1 47 . 1 . 1 5 5 DT H2'' H 1 2.360 0.01 . 1 . . . . . 5 DT H2'' . 53690 1 48 . 1 . 1 5 5 DT H3' H 1 4.697 0.01 . 1 . . . . . 5 DT H3' . 53690 1 49 . 1 . 1 5 5 DT H4' H 1 3.967 0.01 . 1 . . . . . 5 DT H4' . 53690 1 50 . 1 . 1 5 5 DT H5' H 1 3.643 0.01 . 2 . . . . . 5 DT H5' . 53690 1 51 . 1 . 1 5 5 DT H5'' H 1 3.157 0.01 . 2 . . . . . 5 DT H5'' . 53690 1 52 . 1 . 1 5 5 DT H6 H 1 7.323 0.01 . 1 . . . . . 5 DT H6 . 53690 1 53 . 1 . 1 5 5 DT H71 H 1 1.599 0.01 . 3 . . . . . 5 DT H71 . 53690 1 54 . 1 . 1 5 5 DT H72 H 1 1.599 0.01 . 3 . . . . . 5 DT H72 . 53690 1 55 . 1 . 1 5 5 DT H73 H 1 1.599 0.01 . 3 . . . . . 5 DT H73 . 53690 1 56 . 1 . 1 5 5 DT P P 31 -3.585 0.05 . 1 . . . . . 5 DT P . 53690 1 57 . 1 . 1 6 6 DG H1 H 1 12.115 0.01 . 1 . . . . . 6 DG H1 . 53690 1 58 . 1 . 1 6 6 DG H1' H 1 6.039 0.01 . 1 . . . . . 6 DG H1' . 53690 1 59 . 1 . 1 6 6 DG H2' H 1 3.393 0.01 . 1 . . . . . 6 DG H2' . 53690 1 60 . 1 . 1 6 6 DG H2'' H 1 2.753 0.01 . 1 . . . . . 6 DG H2'' . 53690 1 61 . 1 . 1 6 6 DG H3' H 1 4.871 0.01 . 1 . . . . . 6 DG H3' . 53690 1 62 . 1 . 1 6 6 DG H4' H 1 4.414 0.01 . 1 . . . . . 6 DG H4' . 53690 1 63 . 1 . 1 6 6 DG H5' H 1 4.375 0.01 . 2 . . . . . 6 DG H5' . 53690 1 64 . 1 . 1 6 6 DG H5'' H 1 4.151 0.01 . 2 . . . . . 6 DG H5'' . 53690 1 65 . 1 . 1 6 6 DG H8 H 1 7.486 0.01 . 1 . . . . . 6 DG H8 . 53690 1 66 . 1 . 1 6 6 DG C5 C 13 117.263 0.20 . 1 . . . . . 6 DG C5 . 53690 1 67 . 1 . 1 6 6 DG P P 31 -4.345 0.05 . 1 . . . . . 6 DG P . 53690 1 68 . 1 . 1 7 7 DG H1 H 1 11.871 0.01 . 1 . . . . . 7 DG H1 . 53690 1 69 . 1 . 1 7 7 DG H1' H 1 6.040 0.01 . 1 . . . . . 7 DG H1' . 53690 1 70 . 1 . 1 7 7 DG H2' H 1 2.625 0.01 . 1 . . . . . 7 DG H2' . 53690 1 71 . 1 . 1 7 7 DG H2'' H 1 2.685 0.01 . 1 . . . . . 7 DG H2'' . 53690 1 72 . 1 . 1 7 7 DG H3' H 1 5.013 0.01 . 1 . . . . . 7 DG H3' . 53690 1 73 . 1 . 1 7 7 DG H4' H 1 4.529 0.01 . 1 . . . . . 7 DG H4' . 53690 1 74 . 1 . 1 7 7 DG H5' H 1 4.226 0.01 . 2 . . . . . 7 DG H5' . 53690 1 75 . 1 . 1 7 7 DG H8 H 1 8.015 0.01 . 1 . . . . . 7 DG H8 . 53690 1 76 . 1 . 1 7 7 DG C5 C 13 114.142 0.20 . 1 . . . . . 7 DG C5 . 53690 1 77 . 1 . 1 7 7 DG P P 31 -4.361 0.05 . 1 . . . . . 7 DG P . 53690 1 78 . 1 . 1 8 8 DT H1' H 1 5.658 0.01 . 1 . . . . . 8 DT H1' . 53690 1 79 . 1 . 1 8 8 DT H2' H 1 1.434 0.01 . 1 . . . . . 8 DT H2' . 53690 1 80 . 1 . 1 8 8 DT H2'' H 1 2.288 0.01 . 1 . . . . . 8 DT H2'' . 53690 1 81 . 1 . 1 8 8 DT H3' H 1 4.606 0.01 . 1 . . . . . 8 DT H3' . 53690 1 82 . 1 . 1 8 8 DT H4' H 1 4.062 0.01 . 1 . . . . . 8 DT H4' . 53690 1 83 . 1 . 1 8 8 DT H5' H 1 4.442 0.01 . 2 . . . . . 8 DT H5' . 53690 1 84 . 1 . 1 8 8 DT H6 H 1 7.068 0.01 . 1 . . . . . 8 DT H6 . 53690 1 85 . 1 . 1 8 8 DT H71 H 1 1.833 0.01 . 3 . . . . . 8 DT H71 . 53690 1 86 . 1 . 1 8 8 DT H72 H 1 1.833 0.01 . 3 . . . . . 8 DT H72 . 53690 1 87 . 1 . 1 8 8 DT H73 H 1 1.833 0.01 . 3 . . . . . 8 DT H73 . 53690 1 88 . 1 . 1 8 8 DT P P 31 -4.814 0.05 . 1 . . . . . 8 DT P . 53690 1 89 . 1 . 1 9 9 DT H1' H 1 5.561 0.01 . 1 . . . . . 9 DT H1' . 53690 1 90 . 1 . 1 9 9 DT H2' H 1 2.095 0.01 . 1 . . . . . 9 DT H2' . 53690 1 91 . 1 . 1 9 9 DT H2'' H 1 1.981 0.01 . 1 . . . . . 9 DT H2'' . 53690 1 92 . 1 . 1 9 9 DT H3' H 1 4.604 0.01 . 1 . . . . . 9 DT H3' . 53690 1 93 . 1 . 1 9 9 DT H4' H 1 3.558 0.01 . 1 . . . . . 9 DT H4' . 53690 1 94 . 1 . 1 9 9 DT H5' H 1 3.657 0.01 . 2 . . . . . 9 DT H5' . 53690 1 95 . 1 . 1 9 9 DT H5'' H 1 3.587 0.01 . 2 . . . . . 9 DT H5'' . 53690 1 96 . 1 . 1 9 9 DT H6 H 1 7.314 0.01 . 1 . . . . . 9 DT H6 . 53690 1 97 . 1 . 1 9 9 DT H71 H 1 1.611 0.01 . 3 . . . . . 9 DT H71 . 53690 1 98 . 1 . 1 9 9 DT H72 H 1 1.611 0.01 . 3 . . . . . 9 DT H72 . 53690 1 99 . 1 . 1 9 9 DT H73 H 1 1.611 0.01 . 3 . . . . . 9 DT H73 . 53690 1 100 . 1 . 1 9 9 DT P P 31 -4.471 0.05 . 1 . . . . . 9 DT P . 53690 1 101 . 1 . 1 10 10 DT H1' H 1 5.442 0.01 . 1 . . . . . 10 DT H1' . 53690 1 102 . 1 . 1 10 10 DT H2' H 1 1.800 0.01 . 1 . . . . . 10 DT H2' . 53690 1 103 . 1 . 1 10 10 DT H2'' H 1 2.397 0.01 . 1 . . . . . 10 DT H2'' . 53690 1 104 . 1 . 1 10 10 DT H3' H 1 4.774 0.01 . 1 . . . . . 10 DT H3' . 53690 1 105 . 1 . 1 10 10 DT H4' H 1 4.506 0.01 . 1 . . . . . 10 DT H4' . 53690 1 106 . 1 . 1 10 10 DT H5' H 1 4.060 0.01 . 2 . . . . . 10 DT H5' . 53690 1 107 . 1 . 1 10 10 DT H5'' H 1 4.011 0.01 . 2 . . . . . 10 DT H5'' . 53690 1 108 . 1 . 1 10 10 DT H6 H 1 7.231 0.01 . 1 . . . . . 10 DT H6 . 53690 1 109 . 1 . 1 10 10 DT H71 H 1 1.567 0.01 . 3 . . . . . 10 DT H71 . 53690 1 110 . 1 . 1 10 10 DT H72 H 1 1.567 0.01 . 3 . . . . . 10 DT H72 . 53690 1 111 . 1 . 1 10 10 DT H73 H 1 1.567 0.01 . 3 . . . . . 10 DT H73 . 53690 1 112 . 1 . 1 10 10 DT P P 31 -4.061 0.05 . 1 . . . . . 10 DT P . 53690 1 113 . 1 . 1 11 11 DT H1' H 1 6.271 0.01 . 1 . . . . . 11 DT H1' . 53690 1 114 . 1 . 1 11 11 DT H2' H 1 2.139 0.01 . 1 . . . . . 11 DT H2' . 53690 1 115 . 1 . 1 11 11 DT H2'' H 1 2.462 0.01 . 1 . . . . . 11 DT H2'' . 53690 1 116 . 1 . 1 11 11 DT H3' H 1 4.548 0.01 . 1 . . . . . 11 DT H3' . 53690 1 117 . 1 . 1 11 11 DT H4' H 1 3.069 0.01 . 1 . . . . . 11 DT H4' . 53690 1 118 . 1 . 1 11 11 DT H5' H 1 2.973 0.01 . 2 . . . . . 11 DT H5' . 53690 1 119 . 1 . 1 11 11 DT H5'' H 1 2.927 0.01 . 2 . . . . . 11 DT H5'' . 53690 1 120 . 1 . 1 11 11 DT H6 H 1 7.613 0.01 . 1 . . . . . 11 DT H6 . 53690 1 121 . 1 . 1 11 11 DT H71 H 1 1.796 0.01 . 3 . . . . . 11 DT H71 . 53690 1 122 . 1 . 1 11 11 DT H72 H 1 1.796 0.01 . 3 . . . . . 11 DT H72 . 53690 1 123 . 1 . 1 11 11 DT H73 H 1 1.796 0.01 . 3 . . . . . 11 DT H73 . 53690 1 124 . 1 . 1 11 11 DT P P 31 -5.765 0.05 . 1 . . . . . 11 DT P . 53690 1 125 . 1 . 1 12 12 DG H1 H 1 12.004 0.01 . 1 . . . . . 12 DG H1 . 53690 1 126 . 1 . 1 12 12 DG H1' H 1 6.129 0.01 . 1 . . . . . 12 DG H1' . 53690 1 127 . 1 . 1 12 12 DG H2' H 1 3.495 0.01 . 1 . . . . . 12 DG H2' . 53690 1 128 . 1 . 1 12 12 DG H2'' H 1 2.936 0.01 . 1 . . . . . 12 DG H2'' . 53690 1 129 . 1 . 1 12 12 DG H3' H 1 4.957 0.01 . 1 . . . . . 12 DG H3' . 53690 1 130 . 1 . 1 12 12 DG H4' H 1 4.486 0.01 . 1 . . . . . 12 DG H4' . 53690 1 131 . 1 . 1 12 12 DG H5' H 1 4.155 0.01 . 2 . . . . . 12 DG H5' . 53690 1 132 . 1 . 1 12 12 DG H8 H 1 7.628 0.01 . 1 . . . . . 12 DG H8 . 53690 1 133 . 1 . 1 12 12 DG C5 C 13 115.475 0.20 . 1 . . . . . 12 DG C5 . 53690 1 134 . 1 . 1 12 12 DG P P 31 -4.748 0.05 . 1 . . . . . 12 DG P . 53690 1 135 . 1 . 1 13 13 DG H1 H 1 11.850 0.01 . 1 . . . . . 13 DG H1 . 53690 1 136 . 1 . 1 13 13 DG H1' H 1 6.063 0.01 . 1 . . . . . 13 DG H1' . 53690 1 137 . 1 . 1 13 13 DG H2' H 1 2.680 0.01 . 1 . . . . . 13 DG H2' . 53690 1 138 . 1 . 1 13 13 DG H2'' H 1 2.398 0.01 . 1 . . . . . 13 DG H2'' . 53690 1 139 . 1 . 1 13 13 DG H3' H 1 5.177 0.01 . 1 . . . . . 13 DG H3' . 53690 1 140 . 1 . 1 13 13 DG H4' H 1 4.453 0.01 . 1 . . . . . 13 DG H4' . 53690 1 141 . 1 . 1 13 13 DG H5' H 1 4.306 0.01 . 2 . . . . . 13 DG H5' . 53690 1 142 . 1 . 1 13 13 DG H8 H 1 8.057 0.01 . 1 . . . . . 13 DG H8 . 53690 1 143 . 1 . 1 13 13 DG C5 C 13 114.861 0.20 . 1 . . . . . 13 DG C5 . 53690 1 144 . 1 . 1 13 13 DG P P 31 -4.583 0.05 . 1 . . . . . 13 DG P . 53690 1 145 . 1 . 1 14 14 DT H1' H 1 6.358 0.01 . 1 . . . . . 14 DT H1' . 53690 1 146 . 1 . 1 14 14 DT H2' H 1 2.243 0.01 . 1 . . . . . 14 DT H2' . 53690 1 147 . 1 . 1 14 14 DT H2'' H 1 2.493 0.01 . 1 . . . . . 14 DT H2'' . 53690 1 148 . 1 . 1 14 14 DT H3' H 1 4.893 0.01 . 1 . . . . . 14 DT H3' . 53690 1 149 . 1 . 1 14 14 DT H4' H 1 4.492 0.01 . 1 . . . . . 14 DT H4' . 53690 1 150 . 1 . 1 14 14 DT H5' H 1 4.244 0.01 . 2 . . . . . 14 DT H5' . 53690 1 151 . 1 . 1 14 14 DT H5'' H 1 4.151 0.01 . 2 . . . . . 14 DT H5'' . 53690 1 152 . 1 . 1 14 14 DT H6 H 1 7.897 0.01 . 1 . . . . . 14 DT H6 . 53690 1 153 . 1 . 1 14 14 DT H71 H 1 2.086 0.01 . 3 . . . . . 14 DT H71 . 53690 1 154 . 1 . 1 14 14 DT H72 H 1 2.086 0.01 . 3 . . . . . 14 DT H72 . 53690 1 155 . 1 . 1 14 14 DT H73 H 1 2.086 0.01 . 3 . . . . . 14 DT H73 . 53690 1 156 . 1 . 1 14 14 DT P P 31 -3.337 0.05 . 1 . . . . . 14 DT P . 53690 1 157 . 1 . 1 15 15 DT H1' H 1 6.091 0.01 . 1 . . . . . 15 DT H1' . 53690 1 158 . 1 . 1 15 15 DT H2' H 1 1.871 0.01 . 1 . . . . . 15 DT H2' . 53690 1 159 . 1 . 1 15 15 DT H2'' H 1 2.461 0.01 . 1 . . . . . 15 DT H2'' . 53690 1 160 . 1 . 1 15 15 DT H3' H 1 4.845 0.01 . 1 . . . . . 15 DT H3' . 53690 1 161 . 1 . 1 15 15 DT H4' H 1 4.307 0.01 . 1 . . . . . 15 DT H4' . 53690 1 162 . 1 . 1 15 15 DT H5' H 1 4.084 0.01 . 2 . . . . . 15 DT H5' . 53690 1 163 . 1 . 1 15 15 DT H6 H 1 7.545 0.01 . 1 . . . . . 15 DT H6 . 53690 1 164 . 1 . 1 15 15 DT H71 H 1 1.695 0.01 . 3 . . . . . 15 DT H71 . 53690 1 165 . 1 . 1 15 15 DT H72 H 1 1.695 0.01 . 3 . . . . . 15 DT H72 . 53690 1 166 . 1 . 1 15 15 DT H73 H 1 1.695 0.01 . 3 . . . . . 15 DT H73 . 53690 1 167 . 1 . 1 15 15 DT P P 31 -3.903 0.05 . 1 . . . . . 15 DT P . 53690 1 168 . 1 . 1 16 16 DT H1' H 1 6.132 0.01 . 1 . . . . . 16 DT H1' . 53690 1 169 . 1 . 1 16 16 DT H2' H 1 2.430 0.01 . 1 . . . . . 16 DT H2' . 53690 1 170 . 1 . 1 16 16 DT H2'' H 1 2.557 0.01 . 1 . . . . . 16 DT H2'' . 53690 1 171 . 1 . 1 16 16 DT H3' H 1 4.957 0.01 . 1 . . . . . 16 DT H3' . 53690 1 172 . 1 . 1 16 16 DT H4' H 1 4.252 0.01 . 1 . . . . . 16 DT H4' . 53690 1 173 . 1 . 1 16 16 DT H5' H 1 3.969 0.01 . 2 . . . . . 16 DT H5' . 53690 1 174 . 1 . 1 16 16 DT H6 H 1 7.431 0.01 . 1 . . . . . 16 DT H6 . 53690 1 175 . 1 . 1 16 16 DT H71 H 1 1.448 0.01 . 3 . . . . . 16 DT H71 . 53690 1 176 . 1 . 1 16 16 DT H72 H 1 1.448 0.01 . 3 . . . . . 16 DT H72 . 53690 1 177 . 1 . 1 16 16 DT H73 H 1 1.448 0.01 . 3 . . . . . 16 DT H73 . 53690 1 178 . 1 . 1 16 16 DT P P 31 -4.061 0.05 . 1 . . . . . 16 DT P . 53690 1 179 . 1 . 1 17 17 DG H1 H 1 11.623 0.01 . 1 . . . . . 17 DG H1 . 53690 1 180 . 1 . 1 17 17 DG H1' H 1 6.101 0.01 . 1 . . . . . 17 DG H1' . 53690 1 181 . 1 . 1 17 17 DG H2' H 1 3.591 0.01 . 1 . . . . . 17 DG H2' . 53690 1 182 . 1 . 1 17 17 DG H2'' H 1 3.027 0.01 . 1 . . . . . 17 DG H2'' . 53690 1 183 . 1 . 1 17 17 DG H3' H 1 5.000 0.01 . 1 . . . . . 17 DG H3' . 53690 1 184 . 1 . 1 17 17 DG H4' H 1 4.473 0.01 . 1 . . . . . 17 DG H4' . 53690 1 185 . 1 . 1 17 17 DG H5' H 1 4.405 0.01 . 2 . . . . . 17 DG H5' . 53690 1 186 . 1 . 1 17 17 DG H5'' H 1 4.313 0.01 . 2 . . . . . 17 DG H5'' . 53690 1 187 . 1 . 1 17 17 DG H8 H 1 7.439 0.01 . 1 . . . . . 17 DG H8 . 53690 1 188 . 1 . 1 17 17 DG C5 C 13 116.736 0.20 . 1 . . . . . 17 DG C5 . 53690 1 189 . 1 . 1 17 17 DG P P 31 -2.917 0.05 . 1 . . . . . 17 DG P . 53690 1 190 . 1 . 1 18 18 DG H1 H 1 11.720 0.01 . 1 . . . . . 18 DG H1 . 53690 1 191 . 1 . 1 18 18 DG H1' H 1 6.267 0.01 . 1 . . . . . 18 DG H1' . 53690 1 192 . 1 . 1 18 18 DG H2' H 1 2.657 0.01 . 1 . . . . . 18 DG H2' . 53690 1 193 . 1 . 1 18 18 DG H2'' H 1 2.420 0.01 . 1 . . . . . 18 DG H2'' . 53690 1 194 . 1 . 1 18 18 DG H3' H 1 4.803 0.01 . 1 . . . . . 18 DG H3' . 53690 1 195 . 1 . 1 18 18 DG H4' H 1 4.283 0.01 . 1 . . . . . 18 DG H4' . 53690 1 196 . 1 . 1 18 18 DG H5' H 1 4.332 0.01 . 2 . . . . . 18 DG H5' . 53690 1 197 . 1 . 1 18 18 DG H5'' H 1 4.222 0.01 . 2 . . . . . 18 DG H5'' . 53690 1 198 . 1 . 1 18 18 DG H8 H 1 8.259 0.01 . 1 . . . . . 18 DG H8 . 53690 1 199 . 1 . 1 18 18 DG C5 C 13 114.547 0.20 . 1 . . . . . 18 DG C5 . 53690 1 200 . 1 . 1 18 18 DG P P 31 -4.250 0.05 . 1 . . . . . 18 DG P . 53690 1 stop_ save_