################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25528 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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' 1 $sample_1 isotropic 25528 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25528 1 3 '2D 1H-1H COSY' 1 $sample_1 isotropic 25528 1 4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25528 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.76356 0.01 . . . . 0 A 1 DC H1' 0 25528 1 2 . 1 1 1 1 DC H2' H 1 1.96319 0.01 . . . . 0 A 1 DC H2' 0 25528 1 3 . 1 1 1 1 DC H2'' H 1 2.4086 0.01 . . . . 0 A 1 DC H2'' 0 25528 1 4 . 1 1 1 1 DC H3' H 1 4.70401 0.01 . . . . 0 A 1 DC H3' 0 25528 1 5 . 1 1 1 1 DC H4' H 1 4.06546 0.01 . . . . 0 A 1 DC H4' 0 25528 1 6 . 1 1 1 1 DC H5 H 1 5.91705 0.01 . . . . 0 A 1 DC H5 0 25528 1 7 . 1 1 1 1 DC H6 H 1 7.63229 0.01 . . . . 0 A 1 DC H6 0 25528 1 8 . 1 1 2 2 DG H1' H 1 5.87625 0.01 . . . . 0 A 2 DG H1' 0 25528 1 9 . 1 1 2 2 DG H2' H 1 2.67017 0.01 . . . . 0 A 2 DG H2' 0 25528 1 10 . 1 1 2 2 DG H2'' H 1 2.70574 0.01 . . . . 0 A 2 DG H2'' 0 25528 1 11 . 1 1 2 2 DG H3' H 1 4.96994 0.01 . . . . 0 A 2 DG H3' 0 25528 1 12 . 1 1 2 2 DG H8 H 1 7.96354 0.01 . . . . 0 A 2 DG H8 0 25528 1 13 . 1 1 3 3 DC H1' H 1 6.00873 0.01 . . . . 0 A 3 DC H1' 0 25528 1 14 . 1 1 3 3 DC H2' H 1 1.84538 0.01 . . . . 0 A 3 DC H2' 0 25528 1 15 . 1 1 3 3 DC H2'' H 1 2.55374 0.01 . . . . 0 A 3 DC H2'' 0 25528 1 16 . 1 1 3 3 DC H3' H 1 4.85588 0.01 . . . . 0 A 3 DC H3' 0 25528 1 17 . 1 1 3 3 DC H4' H 1 4.23675 0.01 . . . . 0 A 3 DC H4' 0 25528 1 18 . 1 1 3 3 DC H5 H 1 5.38593 0.01 . . . . 0 A 3 DC H5 0 25528 1 19 . 1 1 3 3 DC H6 H 1 7.39014 0.01 . . . . 0 A 3 DC H6 0 25528 1 20 . 1 1 4 4 8OG H1' H 1 5.15807 0.01 . . . . 0 A 4 8OG H1' 0 25528 1 21 . 1 1 4 4 8OG H2' H 1 3.35263 0.01 . . . . 0 A 4 8OG H2' 0 25528 1 22 . 1 1 4 4 8OG H2'' H 1 2.41274 0.01 . . . . 0 A 4 8OG H2'' 0 25528 1 23 . 1 1 4 4 8OG H3' H 1 4.84911 0.01 . . . . 0 A 4 8OG H3' 0 25528 1 24 . 1 1 5 5 DA H1' H 1 6.00023 0.01 . . . . 0 A 5 DA H1' 0 25528 1 25 . 1 1 5 5 DA H2 H 1 7.22441 0.01 . . . . 0 A 5 DA H2 0 25528 1 26 . 1 1 5 5 DA H2' H 1 2.71147 0.01 . . . . 0 A 5 DA H2' 0 25528 1 27 . 1 1 5 5 DA H2'' H 1 2.93296 0.01 . . . . 0 A 5 DA H2'' 0 25528 1 28 . 1 1 5 5 DA H3' H 1 5.05892 0.01 . . . . 0 A 5 DA H3' 0 25528 1 29 . 1 1 5 5 DA H4' H 1 4.43796 0.01 . . . . 0 A 5 DA H4' 0 25528 1 30 . 1 1 5 5 DA H8 H 1 8.19533 0.01 . . . . 0 A 5 DA H8 0 25528 1 31 . 1 1 6 6 DA H1' H 1 6.15762 0.01 . . . . 0 A 6 DA H1' 0 25528 1 32 . 1 1 6 6 DA H2 H 1 7.63345 0.01 . . . . 0 A 6 DA H2 0 25528 1 33 . 1 1 6 6 DA H2' H 1 2.56474 0.01 . . . . 0 A 6 DA H2' 0 25528 1 34 . 1 1 6 6 DA H2'' H 1 2.93421 0.01 . . . . 0 A 6 DA H2'' 0 25528 1 35 . 1 1 6 6 DA H3' H 1 4.99886 0.01 . . . . 0 A 6 DA H3' 0 25528 1 36 . 1 1 6 6 DA H4' H 1 4.45649 0.01 . . . . 0 A 6 DA H4' 0 25528 1 37 . 1 1 6 6 DA H8 H 1 8.11901 0.01 . . . . 0 A 6 DA H8 0 25528 1 38 . 1 1 7 7 DT H1' H 1 5.91002 0.01 . . . . 0 A 7 DT H1' 0 25528 1 39 . 1 1 7 7 DT H2' H 1 1.98029 0.01 . . . . 0 A 7 DT H2' 0 25528 1 40 . 1 1 7 7 DT H2'' H 1 2.56445 0.01 . . . . 0 A 7 DT H2'' 0 25528 1 41 . 1 1 7 7 DT H3' H 1 4.8167 0.01 . . . . 0 A 7 DT H3' 0 25528 1 42 . 1 1 7 7 DT H4' H 1 4.21143 0.01 . . . . 0 A 7 DT H4' 0 25528 1 43 . 1 1 7 7 DT H6 H 1 7.11222 0.01 . . . . 0 A 7 DT H6 0 25528 1 44 . 1 1 7 7 DT H71 H 1 1.27232 0.01 . . . . 0 A 7 DT H71 0 25528 1 45 . 1 1 7 7 DT H72 H 1 1.27232 0.01 . . . . 0 A 7 DT H72 0 25528 1 46 . 1 1 7 7 DT H73 H 1 1.27232 0.01 . . . . 0 A 7 DT H73 0 25528 1 47 . 1 1 8 8 DT H1' H 1 6.09451 0.01 . . . . 0 A 8 DT H1' 0 25528 1 48 . 1 1 8 8 DT H2' H 1 2.16406 0.01 . . . . 0 A 8 DT H2' 0 25528 1 49 . 1 1 8 8 DT H2'' H 1 2.55118 0.01 . . . . 0 A 8 DT H2'' 0 25528 1 50 . 1 1 8 8 DT H3' H 1 4.89308 0.01 . . . . 0 A 8 DT H3' 0 25528 1 51 . 1 1 8 8 DT H4' H 1 4.20213 0.01 . . . . 0 A 8 DT H4' 0 25528 1 52 . 1 1 8 8 DT H6 H 1 7.36211 0.01 . . . . 0 A 8 DT H6 0 25528 1 53 . 1 1 8 8 DT H71 H 1 1.51388 0.01 . . . . 0 A 8 DT H71 0 25528 1 54 . 1 1 8 8 DT H72 H 1 1.51388 0.01 . . . . 0 A 8 DT H72 0 25528 1 55 . 1 1 8 8 DT H73 H 1 1.51388 0.01 . . . . 0 A 8 DT H73 0 25528 1 56 . 1 1 9 9 DC H1' H 1 5.67649 0.01 . . . . 0 A 9 DC H1' 0 25528 1 57 . 1 1 9 9 DC H2' H 1 2.04057 0.01 . . . . 0 A 9 DC H2' 0 25528 1 58 . 1 1 9 9 DC H2'' H 1 2.39034 0.01 . . . . 0 A 9 DC H2'' 0 25528 1 59 . 1 1 9 9 DC H3' H 1 4.86605 0.01 . . . . 0 A 9 DC H3' 0 25528 1 60 . 1 1 9 9 DC H4' H 1 4.12752 0.01 . . . . 0 A 9 DC H4' 0 25528 1 61 . 1 1 9 9 DC H5 H 1 5.62503 0.01 . . . . 0 A 9 DC H5 0 25528 1 62 . 1 1 9 9 DC H6 H 1 7.46242 0.01 . . . . 0 A 9 DC H6 0 25528 1 63 . 1 1 10 10 DG H1' H 1 5.86349 0.01 . . . . 0 A 10 DG H1' 0 25528 1 64 . 1 1 10 10 DG H2' H 1 2.62111 0.01 . . . . 0 A 10 DG H2' 0 25528 1 65 . 1 1 10 10 DG H2'' H 1 2.69728 0.01 . . . . 0 A 10 DG H2'' 0 25528 1 66 . 1 1 10 10 DG H3' H 1 4.97984 0.01 . . . . 0 A 10 DG H3' 0 25528 1 67 . 1 1 10 10 DG H4' H 1 4.36372 0.01 . . . . 0 A 10 DG H4' 0 25528 1 68 . 1 1 10 10 DG H8 H 1 7.88674 0.01 . . . . 0 A 10 DG H8 0 25528 1 69 . 1 1 11 11 DC H1' H 1 5.74921 0.01 . . . . 0 A 11 DC H1' 0 25528 1 70 . 1 1 11 11 DC H2' H 1 1.87875 0.01 . . . . 0 A 11 DC H2' 0 25528 1 71 . 1 1 11 11 DC H2'' H 1 2.32385 0.01 . . . . 0 A 11 DC H2'' 0 25528 1 72 . 1 1 11 11 DC H3' H 1 4.81341 0.01 . . . . 0 A 11 DC H3' 0 25528 1 73 . 1 1 11 11 DC H4' H 1 4.1352 0.01 . . . . 0 A 11 DC H4' 0 25528 1 74 . 1 1 11 11 DC H5 H 1 5.44661 0.01 . . . . 0 A 11 DC H5 0 25528 1 75 . 1 1 11 11 DC H6 H 1 7.31511 0.01 . . . . 0 A 11 DC H6 0 25528 1 76 . 1 1 12 12 DG H1' H 1 6.16397 0.01 . . . . 0 A 12 DG H1' 0 25528 1 77 . 1 1 12 12 DG H2' H 1 2.61262 0.01 . . . . 0 A 12 DG H2' 0 25528 1 78 . 1 1 12 12 DG H2'' H 1 2.37063 0.01 . . . . 0 A 12 DG H2'' 0 25528 1 79 . 1 1 12 12 DG H3' H 1 4.67263 0.01 . . . . 0 A 12 DG H3' 0 25528 1 80 . 1 1 12 12 DG H4' H 1 4.17258 0.01 . . . . 0 A 12 DG H4' 0 25528 1 81 . 1 1 12 12 DG H8 H 1 7.94141 0.01 . . . . 0 A 12 DG H8 0 25528 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25528 _Assigned_chem_shift_list.ID 2 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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' 1 $sample_1 isotropic 25528 2 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25528 2 3 '2D 1H-1H COSY' 1 $sample_1 isotropic 25528 2 4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25528 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 2 1 1 1 DC H1' H 1 5.76356 0.01 . . . . 0 B 13 DC H1' 0 25528 2 2 . 2 1 1 1 DC H2' H 1 1.96319 0.01 . . . . 0 B 13 DC H2' 0 25528 2 3 . 2 1 1 1 DC H2'' H 1 2.4086 0.01 . . . . 0 B 13 DC H2'' 0 25528 2 4 . 2 1 1 1 DC H3' H 1 4.70401 0.01 . . . . 0 B 13 DC H3' 0 25528 2 5 . 2 1 1 1 DC H4' H 1 4.06546 0.01 . . . . 0 B 13 DC H4' 0 25528 2 6 . 2 1 1 1 DC H5 H 1 5.91705 0.01 . . . . 0 B 13 DC H5 0 25528 2 7 . 2 1 1 1 DC H6 H 1 7.63229 0.01 . . . . 0 B 13 DC H6 0 25528 2 8 . 2 1 2 2 DG H1' H 1 5.87625 0.01 . . . . 0 B 14 DG H1' 0 25528 2 9 . 2 1 2 2 DG H2' H 1 2.67017 0.01 . . . . 0 B 14 DG H2' 0 25528 2 10 . 2 1 2 2 DG H2'' H 1 2.70574 0.01 . . . . 0 B 14 DG H2'' 0 25528 2 11 . 2 1 2 2 DG H3' H 1 4.96994 0.01 . . . . 0 B 14 DG H3' 0 25528 2 12 . 2 1 2 2 DG H8 H 1 7.96354 0.01 . . . . 0 B 14 DG H8 0 25528 2 13 . 2 1 3 3 DC H1' H 1 6.00873 0.01 . . . . 0 B 15 DC H1' 0 25528 2 14 . 2 1 3 3 DC H2' H 1 1.84538 0.01 . . . . 0 B 15 DC H2' 0 25528 2 15 . 2 1 3 3 DC H2'' H 1 2.55374 0.01 . . . . 0 B 15 DC H2'' 0 25528 2 16 . 2 1 3 3 DC H3' H 1 4.85588 0.01 . . . . 0 B 15 DC H3' 0 25528 2 17 . 2 1 3 3 DC H4' H 1 4.23675 0.01 . . . . 0 B 15 DC H4' 0 25528 2 18 . 2 1 3 3 DC H5 H 1 5.38593 0.01 . . . . 0 B 15 DC H5 0 25528 2 19 . 2 1 3 3 DC H6 H 1 7.39014 0.01 . . . . 0 B 15 DC H6 0 25528 2 20 . 2 1 4 4 8OG H1' H 1 5.15807 0.01 . . . . 0 B 16 8OG H1' 0 25528 2 21 . 2 1 4 4 8OG H2' H 1 3.35263 0.01 . . . . 0 B 16 8OG H2' 0 25528 2 22 . 2 1 4 4 8OG H2'' H 1 2.41274 0.01 . . . . 0 B 16 8OG H2'' 0 25528 2 23 . 2 1 4 4 8OG H3' H 1 4.84911 0.01 . . . . 0 B 16 8OG H3' 0 25528 2 24 . 2 1 5 5 DA H1' H 1 6.00023 0.01 . . . . 0 B 17 DA H1' 0 25528 2 25 . 2 1 5 5 DA H2 H 1 7.22441 0.01 . . . . 0 B 17 DA H2 0 25528 2 26 . 2 1 5 5 DA H2' H 1 2.71147 0.01 . . . . 0 B 17 DA H2' 0 25528 2 27 . 2 1 5 5 DA H2'' H 1 2.93296 0.01 . . . . 0 B 17 DA H2'' 0 25528 2 28 . 2 1 5 5 DA H3' H 1 5.05892 0.01 . . . . 0 B 17 DA H3' 0 25528 2 29 . 2 1 5 5 DA H4' H 1 4.43796 0.01 . . . . 0 B 17 DA H4' 0 25528 2 30 . 2 1 5 5 DA H8 H 1 8.19533 0.01 . . . . 0 B 17 DA H8 0 25528 2 31 . 2 1 6 6 DA H1' H 1 6.15762 0.01 . . . . 0 B 18 DA H1' 0 25528 2 32 . 2 1 6 6 DA H2 H 1 7.63345 0.01 . . . . 0 B 18 DA H2 0 25528 2 33 . 2 1 6 6 DA H2' H 1 2.56474 0.01 . . . . 0 B 18 DA H2' 0 25528 2 34 . 2 1 6 6 DA H2'' H 1 2.93421 0.01 . . . . 0 B 18 DA H2'' 0 25528 2 35 . 2 1 6 6 DA H3' H 1 4.99886 0.01 . . . . 0 B 18 DA H3' 0 25528 2 36 . 2 1 6 6 DA H4' H 1 4.45649 0.01 . . . . 0 B 18 DA H4' 0 25528 2 37 . 2 1 6 6 DA H8 H 1 8.11901 0.01 . . . . 0 B 18 DA H8 0 25528 2 38 . 2 1 7 7 DT H1' H 1 5.91002 0.01 . . . . 0 B 19 DT H1' 0 25528 2 39 . 2 1 7 7 DT H2' H 1 1.98029 0.01 . . . . 0 B 19 DT H2' 0 25528 2 40 . 2 1 7 7 DT H2'' H 1 2.56445 0.01 . . . . 0 B 19 DT H2'' 0 25528 2 41 . 2 1 7 7 DT H3' H 1 4.8167 0.01 . . . . 0 B 19 DT H3' 0 25528 2 42 . 2 1 7 7 DT H4' H 1 4.21143 0.01 . . . . 0 B 19 DT H4' 0 25528 2 43 . 2 1 7 7 DT H6 H 1 7.11222 0.01 . . . . 0 B 19 DT H6 0 25528 2 44 . 2 1 7 7 DT H71 H 1 1.27232 0.01 . . . . 0 B 19 DT H71 0 25528 2 45 . 2 1 7 7 DT H72 H 1 1.27232 0.01 . . . . 0 B 19 DT H72 0 25528 2 46 . 2 1 7 7 DT H73 H 1 1.27232 0.01 . . . . 0 B 19 DT H73 0 25528 2 47 . 2 1 8 8 DT H1' H 1 6.09451 0.01 . . . . 0 B 20 DT H1' 0 25528 2 48 . 2 1 8 8 DT H2' H 1 2.16406 0.01 . . . . 0 B 20 DT H2' 0 25528 2 49 . 2 1 8 8 DT H2'' H 1 2.55118 0.01 . . . . 0 B 20 DT H2'' 0 25528 2 50 . 2 1 8 8 DT H3' H 1 4.89308 0.01 . . . . 0 B 20 DT H3' 0 25528 2 51 . 2 1 8 8 DT H4' H 1 4.20213 0.01 . . . . 0 B 20 DT H4' 0 25528 2 52 . 2 1 8 8 DT H6 H 1 7.36211 0.01 . . . . 0 B 20 DT H6 0 25528 2 53 . 2 1 8 8 DT H71 H 1 1.51388 0.01 . . . . 0 B 20 DT H71 0 25528 2 54 . 2 1 8 8 DT H72 H 1 1.51388 0.01 . . . . 0 B 20 DT H72 0 25528 2 55 . 2 1 8 8 DT H73 H 1 1.51388 0.01 . . . . 0 B 20 DT H73 0 25528 2 56 . 2 1 9 9 DC H1' H 1 5.67649 0.01 . . . . 0 B 21 DC H1' 0 25528 2 57 . 2 1 9 9 DC H2' H 1 2.04057 0.01 . . . . 0 B 21 DC H2' 0 25528 2 58 . 2 1 9 9 DC H2'' H 1 2.39034 0.01 . . . . 0 B 21 DC H2'' 0 25528 2 59 . 2 1 9 9 DC H3' H 1 4.86605 0.01 . . . . 0 B 21 DC H3' 0 25528 2 60 . 2 1 9 9 DC H4' H 1 4.12752 0.01 . . . . 0 B 21 DC H4' 0 25528 2 61 . 2 1 9 9 DC H5 H 1 5.62503 0.01 . . . . 0 B 21 DC H5 0 25528 2 62 . 2 1 9 9 DC H6 H 1 7.46242 0.01 . . . . 0 B 21 DC H6 0 25528 2 63 . 2 1 10 10 DG H1' H 1 5.86349 0.01 . . . . 0 B 22 DG H1' 0 25528 2 64 . 2 1 10 10 DG H2' H 1 2.62111 0.01 . . . . 0 B 22 DG H2' 0 25528 2 65 . 2 1 10 10 DG H2'' H 1 2.69728 0.01 . . . . 0 B 22 DG H2'' 0 25528 2 66 . 2 1 10 10 DG H3' H 1 4.97984 0.01 . . . . 0 B 22 DG H3' 0 25528 2 67 . 2 1 10 10 DG H4' H 1 4.36372 0.01 . . . . 0 B 22 DG H4' 0 25528 2 68 . 2 1 10 10 DG H8 H 1 7.88674 0.01 . . . . 0 B 22 DG H8 0 25528 2 69 . 2 1 11 11 DC H1' H 1 5.74921 0.01 . . . . 0 B 23 DC H1' 0 25528 2 70 . 2 1 11 11 DC H2' H 1 1.87875 0.01 . . . . 0 B 23 DC H2' 0 25528 2 71 . 2 1 11 11 DC H2'' H 1 2.32385 0.01 . . . . 0 B 23 DC H2'' 0 25528 2 72 . 2 1 11 11 DC H3' H 1 4.81341 0.01 . . . . 0 B 23 DC H3' 0 25528 2 73 . 2 1 11 11 DC H4' H 1 4.1352 0.01 . . . . 0 B 23 DC H4' 0 25528 2 74 . 2 1 11 11 DC H5 H 1 5.44661 0.01 . . . . 0 B 23 DC H5 0 25528 2 75 . 2 1 11 11 DC H6 H 1 7.31511 0.01 . . . . 0 B 23 DC H6 0 25528 2 76 . 2 1 12 12 DG H1' H 1 6.16397 0.01 . . . . 0 B 24 DG H1' 0 25528 2 77 . 2 1 12 12 DG H2' H 1 2.61262 0.01 . . . . 0 B 24 DG H2' 0 25528 2 78 . 2 1 12 12 DG H2'' H 1 2.37063 0.01 . . . . 0 B 24 DG H2'' 0 25528 2 79 . 2 1 12 12 DG H3' H 1 4.67263 0.01 . . . . 0 B 24 DG H3' 0 25528 2 80 . 2 1 12 12 DG H4' H 1 4.17258 0.01 . . . . 0 B 24 DG H4' 0 25528 2 81 . 2 1 12 12 DG H8 H 1 7.94141 0.01 . . . . 0 B 24 DG H8 0 25528 2 stop_ save_