################################### # 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 30250 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 30250 1 2 '2D 1H-1H NOESY' . . . 30250 1 3 '2D DQF-COSY' . . . 30250 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 2 2 DG H1 H 1 13.12943 . . . . . . . A 2 DG H1 . 30250 1 2 . 1 . 1 3 3 5CM HN41 H 1 8.51449 . . . . . . . A 3 5CM HN41 . 30250 1 3 . 1 . 1 3 3 5CM HN42 H 1 7.01699 . . . . . . . A 3 5CM HN42 . 30250 1 4 . 1 . 1 4 4 DG H1 H 1 12.56039 . . . . . . . A 4 DG H1 . 30250 1 5 . 1 . 1 5 5 DA H2 H 1 7.17084 . . . . . . . A 5 DA H2 . 30250 1 6 . 1 . 1 6 6 DA H2 H 1 7.58466 . . . . . . . A 6 DA H2 . 30250 1 7 . 1 . 1 7 7 DT H3 H 1 13.75086 . . . . . . . A 7 DT H3 . 30250 1 8 . 1 . 1 8 8 DT H3 H 1 13.8587 . . . . . . . A 8 DT H3 . 30250 1 9 . 1 . 1 9 9 DC H41 H 1 8.45677 . . . . . . . A 9 DC H41 . 30250 1 10 . 1 . 1 9 9 DC H42 H 1 6.8374 . . . . . . . A 9 DC H42 . 30250 1 11 . 1 . 1 10 10 8OG H1 H 1 13.0408 . . . . . . . A 10 8OG H1 . 30250 1 12 . 1 . 1 11 11 DC H41 H 1 8.69192 . . . . . . . A 11 DC H41 . 30250 1 13 . 1 . 1 11 11 DC H42 H 1 6.15303 . . . . . . . A 11 DC H42 . 30250 1 14 . 2 . 1 2 2 DG H1 H 1 13.12943 . . . . . . . B 14 DG H1 . 30250 1 15 . 2 . 1 3 3 5CM HN41 H 1 8.51449 . . . . . . . B 15 5CM HN41 . 30250 1 16 . 2 . 1 3 3 5CM HN42 H 1 7.01699 . . . . . . . B 15 5CM HN42 . 30250 1 17 . 2 . 1 4 4 DG H1 H 1 12.56039 . . . . . . . B 16 DG H1 . 30250 1 18 . 2 . 1 5 5 DA H2 H 1 7.17084 . . . . . . . B 17 DA H2 . 30250 1 19 . 2 . 1 6 6 DA H2 H 1 7.58466 . . . . . . . B 18 DA H2 . 30250 1 20 . 2 . 1 7 7 DT H3 H 1 13.75086 . . . . . . . B 19 DT H3 . 30250 1 21 . 2 . 1 8 8 DT H3 H 1 13.8587 . . . . . . . B 20 DT H3 . 30250 1 22 . 2 . 1 9 9 DC H41 H 1 8.45677 . . . . . . . B 21 DC H41 . 30250 1 23 . 2 . 1 9 9 DC H42 H 1 6.8374 . . . . . . . B 21 DC H42 . 30250 1 24 . 2 . 1 10 10 8OG H1 H 1 13.0408 . . . . . . . B 22 8OG H1 . 30250 1 25 . 2 . 1 11 11 DC H41 H 1 8.69192 . . . . . . . B 23 DC H41 . 30250 1 26 . 2 . 1 11 11 DC H42 H 1 6.15303 . . . . . . . B 23 DC H42 . 30250 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 30250 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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' . . . 30250 2 2 '2D 1H-1H NOESY' . . . 30250 2 3 '2D DQF-COSY' . . . 30250 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 DC H1' H 1 5.775 . . . . . . . A 1 DC H1' . 30250 2 2 . 1 . 1 1 1 DC H2' H 1 2.01325 . . . . . . . A 1 DC H2' . 30250 2 3 . 1 . 1 1 1 DC H2'' H 1 2.40206 . . . . . . . A 1 DC H2'' . 30250 2 4 . 1 . 1 1 1 DC H3' H 1 4.69612 . . . . . . . A 1 DC H3' . 30250 2 5 . 1 . 1 1 1 DC H5 H 1 5.91706 . . . . . . . A 1 DC H5 . 30250 2 6 . 1 . 1 1 1 DC H6 H 1 7.65067 . . . . . . . A 1 DC H6 . 30250 2 7 . 1 . 1 2 2 DG H1' H 1 5.98335 . . . . . . . A 2 DG H1' . 30250 2 8 . 1 . 1 2 2 DG H2' H 1 2.59734 . . . . . . . A 2 DG H2' . 30250 2 9 . 1 . 1 2 2 DG H2'' H 1 2.77474 . . . . . . . A 2 DG H2'' . 30250 2 10 . 1 . 1 2 2 DG H3' H 1 4.9541 . . . . . . . A 2 DG H3' . 30250 2 11 . 1 . 1 2 2 DG H8 H 1 7.93553 . . . . . . . A 2 DG H8 . 30250 2 12 . 1 . 1 3 3 5CM H1' H 1 5.53135 . . . . . . . A 3 5CM H1' . 30250 2 13 . 1 . 1 3 3 5CM H2' H 1 1.82292 . . . . . . . A 3 5CM H2' . 30250 2 14 . 1 . 1 3 3 5CM H2'' H 1 2.18471 . . . . . . . A 3 5CM H2'' . 30250 2 15 . 1 . 1 3 3 5CM H5A1 H 1 1.58898 . . . . . . . A 3 5CM H5A1 . 30250 2 16 . 1 . 1 3 3 5CM H5A2 H 1 1.58898 . . . . . . . A 3 5CM H5A2 . 30250 2 17 . 1 . 1 3 3 5CM H5A3 H 1 1.58898 . . . . . . . A 3 5CM H5A3 . 30250 2 18 . 1 . 1 3 3 5CM H6 H 1 7.04123 . . . . . . . A 3 5CM H6 . 30250 2 19 . 1 . 1 4 4 DG H1' H 1 5.46472 . . . . . . . A 4 DG H1' . 30250 2 20 . 1 . 1 4 4 DG H2' H 1 2.65509 . . . . . . . A 4 DG H2' . 30250 2 21 . 1 . 1 4 4 DG H2'' H 1 2.74023 . . . . . . . A 4 DG H2'' . 30250 2 22 . 1 . 1 4 4 DG H3' H 1 4.97817 . . . . . . . A 4 DG H3' . 30250 2 23 . 1 . 1 4 4 DG H8 H 1 7.79733 . . . . . . . A 4 DG H8 . 30250 2 24 . 1 . 1 5 5 DA H1' H 1 6.01608 . . . . . . . A 5 DA H1' . 30250 2 25 . 1 . 1 5 5 DA H2 H 1 7.25334 . . . . . . . A 5 DA H2 . 30250 2 26 . 1 . 1 5 5 DA H2' H 1 2.66769 . . . . . . . A 5 DA H2' . 30250 2 27 . 1 . 1 5 5 DA H2'' H 1 2.92778 . . . . . . . A 5 DA H2'' . 30250 2 28 . 1 . 1 5 5 DA H3' H 1 5.0422 . . . . . . . A 5 DA H3' . 30250 2 29 . 1 . 1 5 5 DA H8 H 1 8.0823 . . . . . . . A 5 DA H8 . 30250 2 30 . 1 . 1 6 6 DA H1' H 1 6.13836 . . . . . . . A 6 DA H1' . 30250 2 31 . 1 . 1 6 6 DA H2 H 1 7.60507 . . . . . . . A 6 DA H2 . 30250 2 32 . 1 . 1 6 6 DA H2' H 1 2.5394 . . . . . . . A 6 DA H2' . 30250 2 33 . 1 . 1 6 6 DA H2'' H 1 2.91408 . . . . . . . A 6 DA H2'' . 30250 2 34 . 1 . 1 6 6 DA H3' H 1 4.98781 . . . . . . . A 6 DA H3' . 30250 2 35 . 1 . 1 6 6 DA H8 H 1 8.08068 . . . . . . . A 6 DA H8 . 30250 2 36 . 1 . 1 7 7 DT H1' H 1 5.89349 . . . . . . . A 7 DT H1' . 30250 2 37 . 1 . 1 7 7 DT H2' H 1 1.97834 . . . . . . . A 7 DT H2' . 30250 2 38 . 1 . 1 7 7 DT H2'' H 1 2.56816 . . . . . . . A 7 DT H2'' . 30250 2 39 . 1 . 1 7 7 DT H3' H 1 4.797 . . . . . . . A 7 DT H3' . 30250 2 40 . 1 . 1 7 7 DT H6 H 1 7.09713 . . . . . . . A 7 DT H6 . 30250 2 41 . 1 . 1 7 7 DT H71 H 1 1.25629 . . . . . . . A 7 DT H71 . 30250 2 42 . 1 . 1 7 7 DT H72 H 1 1.25629 . . . . . . . A 7 DT H72 . 30250 2 43 . 1 . 1 7 7 DT H73 H 1 1.25629 . . . . . . . A 7 DT H73 . 30250 2 44 . 1 . 1 8 8 DT H1' H 1 6.12222 . . . . . . . A 8 DT H1' . 30250 2 45 . 1 . 1 8 8 DT H2' H 1 2.18452 . . . . . . . A 8 DT H2' . 30250 2 46 . 1 . 1 8 8 DT H2'' H 1 2.57534 . . . . . . . A 8 DT H2'' . 30250 2 47 . 1 . 1 8 8 DT H3' H 1 4.89509 . . . . . . . A 8 DT H3' . 30250 2 48 . 1 . 1 8 8 DT H6 H 1 7.38273 . . . . . . . A 8 DT H6 . 30250 2 49 . 1 . 1 8 8 DT H71 H 1 1.51303 . . . . . . . A 8 DT H71 . 30250 2 50 . 1 . 1 8 8 DT H72 H 1 1.51303 . . . . . . . A 8 DT H72 . 30250 2 51 . 1 . 1 8 8 DT H73 H 1 1.51303 . . . . . . . A 8 DT H73 . 30250 2 52 . 1 . 1 9 9 DC H1' H 1 6.07543 . . . . . . . A 9 DC H1' . 30250 2 53 . 1 . 1 9 9 DC H2' H 1 1.95106 . . . . . . . A 9 DC H2' . 30250 2 54 . 1 . 1 9 9 DC H2'' H 1 2.65933 . . . . . . . A 9 DC H2'' . 30250 2 55 . 1 . 1 9 9 DC H3' H 1 4.89898 . . . . . . . A 9 DC H3' . 30250 2 56 . 1 . 1 9 9 DC H5 H 1 5.61643 . . . . . . . A 9 DC H5 . 30250 2 57 . 1 . 1 9 9 DC H6 H 1 7.50802 . . . . . . . A 9 DC H6 . 30250 2 58 . 1 . 1 10 10 8OG H1' H 1 5.47741 . . . . . . . A 10 8OG H1' . 30250 2 59 . 1 . 1 10 10 8OG H2' H 1 3.31572 . . . . . . . A 10 8OG H2' . 30250 2 60 . 1 . 1 10 10 8OG H2'' H 1 2.31235 . . . . . . . A 10 8OG H2'' . 30250 2 61 . 1 . 1 10 10 8OG H3' H 1 4.85301 . . . . . . . A 10 8OG H3' . 30250 2 62 . 1 . 1 11 11 DC H1' H 1 5.80308 . . . . . . . A 11 DC H1' . 30250 2 63 . 1 . 1 11 11 DC H2' H 1 1.93242 . . . . . . . A 11 DC H2' . 30250 2 64 . 1 . 1 11 11 DC H2'' H 1 2.36104 . . . . . . . A 11 DC H2'' . 30250 2 65 . 1 . 1 11 11 DC H3' H 1 4.80344 . . . . . . . A 11 DC H3' . 30250 2 66 . 1 . 1 11 11 DC H5 H 1 5.65152 . . . . . . . A 11 DC H5 . 30250 2 67 . 1 . 1 11 11 DC H6 H 1 7.46135 . . . . . . . A 11 DC H6 . 30250 2 68 . 1 . 1 12 12 DG H1' H 1 6.14087 . . . . . . . A 12 DG H1' . 30250 2 69 . 1 . 1 12 12 DG H2' H 1 2.59355 . . . . . . . A 12 DG H2' . 30250 2 70 . 1 . 1 12 12 DG H2'' H 1 2.35028 . . . . . . . A 12 DG H2'' . 30250 2 71 . 1 . 1 12 12 DG H3' H 1 4.65136 . . . . . . . A 12 DG H3' . 30250 2 72 . 1 . 1 12 12 DG H8 H 1 7.93622 . . . . . . . A 12 DG H8 . 30250 2 73 . 2 . 1 1 1 DC H1' H 1 5.775 . . . . . . . B 13 DC H1' . 30250 2 74 . 2 . 1 1 1 DC H2' H 1 2.01325 . . . . . . . B 13 DC H2' . 30250 2 75 . 2 . 1 1 1 DC H2'' H 1 2.40206 . . . . . . . B 13 DC H2'' . 30250 2 76 . 2 . 1 1 1 DC H3' H 1 4.69612 . . . . . . . B 13 DC H3' . 30250 2 77 . 2 . 1 1 1 DC H5 H 1 5.91706 . . . . . . . B 13 DC H5 . 30250 2 78 . 2 . 1 1 1 DC H6 H 1 7.65067 . . . . . . . B 13 DC H6 . 30250 2 79 . 2 . 1 2 2 DG H1' H 1 5.98335 . . . . . . . B 14 DG H1' . 30250 2 80 . 2 . 1 2 2 DG H2' H 1 2.59734 . . . . . . . B 14 DG H2' . 30250 2 81 . 2 . 1 2 2 DG H2'' H 1 2.77474 . . . . . . . B 14 DG H2'' . 30250 2 82 . 2 . 1 2 2 DG H3' H 1 4.9541 . . . . . . . B 14 DG H3' . 30250 2 83 . 2 . 1 2 2 DG H8 H 1 7.93553 . . . . . . . B 14 DG H8 . 30250 2 84 . 2 . 1 3 3 5CM H1' H 1 5.53135 . . . . . . . B 15 5CM H1' . 30250 2 85 . 2 . 1 3 3 5CM H2' H 1 1.82292 . . . . . . . B 15 5CM H2' . 30250 2 86 . 2 . 1 3 3 5CM H2'' H 1 2.18471 . . . . . . . B 15 5CM H2'' . 30250 2 87 . 2 . 1 3 3 5CM H5A1 H 1 1.58898 . . . . . . . B 15 5CM H5A1 . 30250 2 88 . 2 . 1 3 3 5CM H5A2 H 1 1.58898 . . . . . . . B 15 5CM H5A2 . 30250 2 89 . 2 . 1 3 3 5CM H5A3 H 1 1.58898 . . . . . . . B 15 5CM H5A3 . 30250 2 90 . 2 . 1 3 3 5CM H6 H 1 7.04123 . . . . . . . B 15 5CM H6 . 30250 2 91 . 2 . 1 4 4 DG H1' H 1 5.46472 . . . . . . . B 16 DG H1' . 30250 2 92 . 2 . 1 4 4 DG H2' H 1 2.65509 . . . . . . . B 16 DG H2' . 30250 2 93 . 2 . 1 4 4 DG H2'' H 1 2.74023 . . . . . . . B 16 DG H2'' . 30250 2 94 . 2 . 1 4 4 DG H3' H 1 4.97817 . . . . . . . B 16 DG H3' . 30250 2 95 . 2 . 1 4 4 DG H8 H 1 7.79733 . . . . . . . B 16 DG H8 . 30250 2 96 . 2 . 1 5 5 DA H1' H 1 6.01608 . . . . . . . B 17 DA H1' . 30250 2 97 . 2 . 1 5 5 DA H2 H 1 7.25334 . . . . . . . B 17 DA H2 . 30250 2 98 . 2 . 1 5 5 DA H2' H 1 2.66769 . . . . . . . B 17 DA H2' . 30250 2 99 . 2 . 1 5 5 DA H2'' H 1 2.92778 . . . . . . . B 17 DA H2'' . 30250 2 100 . 2 . 1 5 5 DA H3' H 1 5.0422 . . . . . . . B 17 DA H3' . 30250 2 101 . 2 . 1 5 5 DA H8 H 1 8.0823 . . . . . . . B 17 DA H8 . 30250 2 102 . 2 . 1 6 6 DA H1' H 1 6.13836 . . . . . . . B 18 DA H1' . 30250 2 103 . 2 . 1 6 6 DA H2 H 1 7.60507 . . . . . . . B 18 DA H2 . 30250 2 104 . 2 . 1 6 6 DA H2' H 1 2.5394 . . . . . . . B 18 DA H2' . 30250 2 105 . 2 . 1 6 6 DA H2'' H 1 2.91408 . . . . . . . B 18 DA H2'' . 30250 2 106 . 2 . 1 6 6 DA H3' H 1 4.98781 . . . . . . . B 18 DA H3' . 30250 2 107 . 2 . 1 6 6 DA H8 H 1 8.08068 . . . . . . . B 18 DA H8 . 30250 2 108 . 2 . 1 7 7 DT H1' H 1 5.89349 . . . . . . . B 19 DT H1' . 30250 2 109 . 2 . 1 7 7 DT H2' H 1 1.97834 . . . . . . . B 19 DT H2' . 30250 2 110 . 2 . 1 7 7 DT H2'' H 1 2.56816 . . . . . . . B 19 DT H2'' . 30250 2 111 . 2 . 1 7 7 DT H3' H 1 4.797 . . . . . . . B 19 DT H3' . 30250 2 112 . 2 . 1 7 7 DT H6 H 1 7.09713 . . . . . . . B 19 DT H6 . 30250 2 113 . 2 . 1 7 7 DT H71 H 1 1.25629 . . . . . . . B 19 DT H71 . 30250 2 114 . 2 . 1 7 7 DT H72 H 1 1.25629 . . . . . . . B 19 DT H72 . 30250 2 115 . 2 . 1 7 7 DT H73 H 1 1.25629 . . . . . . . B 19 DT H73 . 30250 2 116 . 2 . 1 8 8 DT H1' H 1 6.12222 . . . . . . . B 20 DT H1' . 30250 2 117 . 2 . 1 8 8 DT H2' H 1 2.18452 . . . . . . . B 20 DT H2' . 30250 2 118 . 2 . 1 8 8 DT H2'' H 1 2.57534 . . . . . . . B 20 DT H2'' . 30250 2 119 . 2 . 1 8 8 DT H3' H 1 4.89509 . . . . . . . B 20 DT H3' . 30250 2 120 . 2 . 1 8 8 DT H6 H 1 7.38273 . . . . . . . B 20 DT H6 . 30250 2 121 . 2 . 1 8 8 DT H71 H 1 1.51303 . . . . . . . B 20 DT H71 . 30250 2 122 . 2 . 1 8 8 DT H72 H 1 1.51303 . . . . . . . B 20 DT H72 . 30250 2 123 . 2 . 1 8 8 DT H73 H 1 1.51303 . . . . . . . B 20 DT H73 . 30250 2 124 . 2 . 1 9 9 DC H1' H 1 6.07543 . . . . . . . B 21 DC H1' . 30250 2 125 . 2 . 1 9 9 DC H2' H 1 1.95106 . . . . . . . B 21 DC H2' . 30250 2 126 . 2 . 1 9 9 DC H2'' H 1 2.65933 . . . . . . . B 21 DC H2'' . 30250 2 127 . 2 . 1 9 9 DC H3' H 1 4.89898 . . . . . . . B 21 DC H3' . 30250 2 128 . 2 . 1 9 9 DC H5 H 1 5.61643 . . . . . . . B 21 DC H5 . 30250 2 129 . 2 . 1 9 9 DC H6 H 1 7.50802 . . . . . . . B 21 DC H6 . 30250 2 130 . 2 . 1 10 10 8OG H1' H 1 5.47741 . . . . . . . B 22 8OG H1' . 30250 2 131 . 2 . 1 10 10 8OG H2' H 1 3.31572 . . . . . . . B 22 8OG H2' . 30250 2 132 . 2 . 1 10 10 8OG H2'' H 1 2.31235 . . . . . . . B 22 8OG H2'' . 30250 2 133 . 2 . 1 10 10 8OG H3' H 1 4.85301 . . . . . . . B 22 8OG H3' . 30250 2 134 . 2 . 1 11 11 DC H1' H 1 5.80308 . . . . . . . B 23 DC H1' . 30250 2 135 . 2 . 1 11 11 DC H2' H 1 1.93242 . . . . . . . B 23 DC H2' . 30250 2 136 . 2 . 1 11 11 DC H2'' H 1 2.36104 . . . . . . . B 23 DC H2'' . 30250 2 137 . 2 . 1 11 11 DC H3' H 1 4.80344 . . . . . . . B 23 DC H3' . 30250 2 138 . 2 . 1 11 11 DC H5 H 1 5.65152 . . . . . . . B 23 DC H5 . 30250 2 139 . 2 . 1 11 11 DC H6 H 1 7.46135 . . . . . . . B 23 DC H6 . 30250 2 140 . 2 . 1 12 12 DG H1' H 1 6.14087 . . . . . . . B 24 DG H1' . 30250 2 141 . 2 . 1 12 12 DG H2' H 1 2.59355 . . . . . . . B 24 DG H2' . 30250 2 142 . 2 . 1 12 12 DG H2'' H 1 2.35028 . . . . . . . B 24 DG H2'' . 30250 2 143 . 2 . 1 12 12 DG H3' H 1 4.65136 . . . . . . . B 24 DG H3' . 30250 2 144 . 2 . 1 12 12 DG H8 H 1 7.93622 . . . . . . . B 24 DG H8 . 30250 2 stop_ save_