################################### # 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 30251 _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' . . . 30251 1 2 '2D 1H-1H NOESY' . . . 30251 1 3 '2D DQF-COSY' . . . 30251 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 13.10769 . . . . . . . A 2 DG H1 . 30251 1 2 . 1 . 1 3 3 5CM HN41 H 1 8.49948 . . . . . . . A 3 5CM HN41 . 30251 1 3 . 1 . 1 3 3 5CM HN42 H 1 6.98712 . . . . . . . A 3 5CM HN42 . 30251 1 4 . 1 . 1 4 4 DG H1 H 1 12.63534 . . . . . . . A 4 DG H1 . 30251 1 5 . 1 . 1 5 5 DA H2 H 1 7.21024 . . . . . . . A 5 DA H2 . 30251 1 6 . 1 . 1 6 6 DA H2 H 1 7.55931 . . . . . . . A 6 DA H2 . 30251 1 7 . 1 . 1 7 7 DT H3 H 1 13.7537 . . . . . . . A 7 DT H3 . 30251 1 8 . 1 . 1 8 8 DT H3 H 1 13.85848 . . . . . . . A 8 DT H3 . 30251 1 9 . 1 . 1 9 9 5CM HN41 H 1 8.64453 . . . . . . . A 9 5CM HN41 . 30251 1 10 . 1 . 1 9 9 5CM HN42 H 1 6.50783 . . . . . . . A 9 5CM HN42 . 30251 1 11 . 1 . 1 10 10 8OG H1 H 1 13.04809 . . . . . . . A 10 8OG H1 . 30251 1 12 . 1 . 1 11 11 DC H41 H 1 8.74248 . . . . . . . A 11 DC H41 . 30251 1 13 . 1 . 1 11 11 DC H42 H 1 6.06763 . . . . . . . A 11 DC H42 . 30251 1 14 . 2 . 1 2 2 DG H1 H 1 13.10646 . . . . . . . B 14 DG H1 . 30251 1 15 . 2 . 1 3 3 5CM HN41 H 1 8.49948 . . . . . . . B 15 5CM HN41 . 30251 1 16 . 2 . 1 3 3 5CM HN42 H 1 6.98712 . . . . . . . B 15 5CM HN42 . 30251 1 17 . 2 . 1 4 4 DG H1 H 1 12.63534 . . . . . . . B 16 DG H1 . 30251 1 18 . 2 . 1 5 5 DA H2 H 1 7.21024 . . . . . . . B 17 DA H2 . 30251 1 19 . 2 . 1 6 6 DA H2 H 1 7.56537 . . . . . . . B 18 DA H2 . 30251 1 20 . 2 . 1 7 7 DT H3 H 1 13.7537 . . . . . . . B 19 DT H3 . 30251 1 21 . 2 . 1 8 8 DT H3 H 1 13.85813 . . . . . . . B 20 DT H3 . 30251 1 22 . 2 . 1 9 9 5CM HN41 H 1 8.64453 . . . . . . . B 21 5CM HN41 . 30251 1 23 . 2 . 1 9 9 5CM HN42 H 1 6.50783 . . . . . . . B 21 5CM HN42 . 30251 1 24 . 2 . 1 10 10 8OG H1 H 1 13.04809 . . . . . . . B 22 8OG H1 . 30251 1 25 . 2 . 1 11 11 DC H41 H 1 8.74248 . . . . . . . B 23 DC H41 . 30251 1 26 . 2 . 1 11 11 DC H42 H 1 6.06763 . . . . . . . B 23 DC H42 . 30251 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 30251 _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' . . . 30251 2 2 '2D 1H-1H NOESY' . . . 30251 2 3 '2D DQF-COSY' . . . 30251 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 5.78528 . . . . . . . A 1 DC H1' . 30251 2 2 . 1 . 1 1 1 DC H2' H 1 2.02658 . . . . . . . A 1 DC H2' . 30251 2 3 . 1 . 1 1 1 DC H2'' H 1 2.41938 . . . . . . . A 1 DC H2'' . 30251 2 4 . 1 . 1 1 1 DC H3' H 1 4.70607 . . . . . . . A 1 DC H3' . 30251 2 5 . 1 . 1 1 1 DC H5 H 1 5.9191 . . . . . . . A 1 DC H5 . 30251 2 6 . 1 . 1 1 1 DC H6 H 1 7.66465 . . . . . . . A 1 DC H6 . 30251 2 7 . 1 . 1 2 2 DG H1' H 1 6.00779 . . . . . . . A 2 DG H1' . 30251 2 8 . 1 . 1 2 2 DG H2' H 1 2.60862 . . . . . . . A 2 DG H2' . 30251 2 9 . 1 . 1 2 2 DG H2'' H 1 2.80798 . . . . . . . A 2 DG H2'' . 30251 2 10 . 1 . 1 2 2 DG H3' H 1 4.9665 . . . . . . . A 2 DG H3' . 30251 2 11 . 1 . 1 2 2 DG H8 H 1 7.94478 . . . . . . . A 2 DG H8 . 30251 2 12 . 1 . 1 3 3 5CM H1' H 1 5.53709 . . . . . . . A 3 5CM H1' . 30251 2 13 . 1 . 1 3 3 5CM H2' H 1 1.81975 . . . . . . . A 3 5CM H2' . 30251 2 14 . 1 . 1 3 3 5CM H2'' H 1 2.20509 . . . . . . . A 3 5CM H2'' . 30251 2 15 . 1 . 1 3 3 5CM H3' H 1 4.78897 . . . . . . . A 3 5CM H3' . 30251 2 16 . 1 . 1 3 3 5CM H5A1 H 1 1.6108 . . . . . . . A 3 5CM H5A1 . 30251 2 17 . 1 . 1 3 3 5CM H5A2 H 1 1.6108 . . . . . . . A 3 5CM H5A2 . 30251 2 18 . 1 . 1 3 3 5CM H5A3 H 1 1.6108 . . . . . . . A 3 5CM H5A3 . 30251 2 19 . 1 . 1 3 3 5CM H6 H 1 7.04725 . . . . . . . A 3 5CM H6 . 30251 2 20 . 1 . 1 4 4 DG H1' H 1 5.47063 . . . . . . . A 4 DG H1' . 30251 2 21 . 1 . 1 4 4 DG H2' H 1 2.6707 . . . . . . . A 4 DG H2' . 30251 2 22 . 1 . 1 4 4 DG H2'' H 1 2.74413 . . . . . . . A 4 DG H2'' . 30251 2 23 . 1 . 1 4 4 DG H3' H 1 4.98918 . . . . . . . A 4 DG H3' . 30251 2 24 . 1 . 1 4 4 DG H8 H 1 7.81804 . . . . . . . A 4 DG H8 . 30251 2 25 . 1 . 1 5 5 DA H1' H 1 6.01838 . . . . . . . A 5 DA H1' . 30251 2 26 . 1 . 1 5 5 DA H2 H 1 7.28239 . . . . . . . A 5 DA H2 . 30251 2 27 . 1 . 1 5 5 DA H2' H 1 2.68336 . . . . . . . A 5 DA H2' . 30251 2 28 . 1 . 1 5 5 DA H2'' H 1 2.94162 . . . . . . . A 5 DA H2'' . 30251 2 29 . 1 . 1 5 5 DA H3' H 1 5.05885 . . . . . . . A 5 DA H3' . 30251 2 30 . 1 . 1 5 5 DA H8 H 1 8.10991 . . . . . . . A 5 DA H8 . 30251 2 31 . 1 . 1 6 6 DA H1' H 1 6.16378 . . . . . . . A 6 DA H1' . 30251 2 32 . 1 . 1 6 6 DA H2 H 1 7.59233 . . . . . . . A 6 DA H2 . 30251 2 33 . 1 . 1 6 6 DA H2' H 1 2.55995 . . . . . . . A 6 DA H2' . 30251 2 34 . 1 . 1 6 6 DA H2'' H 1 2.93878 . . . . . . . A 6 DA H2'' . 30251 2 35 . 1 . 1 6 6 DA H3' H 1 5.00672 . . . . . . . A 6 DA H3' . 30251 2 36 . 1 . 1 6 6 DA H8 H 1 8.11357 . . . . . . . A 6 DA H8 . 30251 2 37 . 1 . 1 7 7 DT H1' H 1 5.91875 . . . . . . . A 7 DT H1' . 30251 2 38 . 1 . 1 7 7 DT H2' H 1 1.99466 . . . . . . . A 7 DT H2' . 30251 2 39 . 1 . 1 7 7 DT H2'' H 1 2.57157 . . . . . . . A 7 DT H2'' . 30251 2 40 . 1 . 1 7 7 DT H3' H 1 4.8344 . . . . . . . A 7 DT H3' . 30251 2 41 . 1 . 1 7 7 DT H6 H 1 7.10617 . . . . . . . A 7 DT H6 . 30251 2 42 . 1 . 1 7 7 DT H71 H 1 1.26317 . . . . . . . A 7 DT H71 . 30251 2 43 . 1 . 1 7 7 DT H72 H 1 1.26317 . . . . . . . A 7 DT H72 . 30251 2 44 . 1 . 1 7 7 DT H73 H 1 1.26317 . . . . . . . A 7 DT H73 . 30251 2 45 . 1 . 1 8 8 DT H1' H 1 6.13809 . . . . . . . A 8 DT H1' . 30251 2 46 . 1 . 1 8 8 DT H2' H 1 2.13825 . . . . . . . A 8 DT H2' . 30251 2 47 . 1 . 1 8 8 DT H2'' H 1 2.64966 . . . . . . . A 8 DT H2'' . 30251 2 48 . 1 . 1 8 8 DT H3' H 1 4.90551 . . . . . . . A 8 DT H3' . 30251 2 49 . 1 . 1 8 8 DT H6 H 1 7.42895 . . . . . . . A 8 DT H6 . 30251 2 50 . 1 . 1 8 8 DT H71 H 1 1.53426 . . . . . . . A 8 DT H71 . 30251 2 51 . 1 . 1 8 8 DT H72 H 1 1.53426 . . . . . . . A 8 DT H72 . 30251 2 52 . 1 . 1 8 8 DT H73 H 1 1.53426 . . . . . . . A 8 DT H73 . 30251 2 53 . 1 . 1 9 9 5CM H1' H 1 6.023 . . . . . . . A 9 5CM H1' . 30251 2 54 . 1 . 1 9 9 5CM H2' H 1 1.95598 . . . . . . . A 9 5CM H2' . 30251 2 55 . 1 . 1 9 9 5CM H2'' H 1 2.60858 . . . . . . . A 9 5CM H2'' . 30251 2 56 . 1 . 1 9 9 5CM H3' H 1 4.90116 . . . . . . . A 9 5CM H3' . 30251 2 57 . 1 . 1 9 9 5CM H5A1 H 1 1.72792 . . . . . . . A 9 5CM H5A1 . 30251 2 58 . 1 . 1 9 9 5CM H5A2 H 1 1.72792 . . . . . . . A 9 5CM H5A2 . 30251 2 59 . 1 . 1 9 9 5CM H5A3 H 1 1.72792 . . . . . . . A 9 5CM H5A3 . 30251 2 60 . 1 . 1 9 9 5CM H6 H 1 7.31642 . . . . . . . A 9 5CM H6 . 30251 2 61 . 1 . 1 10 10 8OG H1' H 1 5.47132 . . . . . . . A 10 8OG H1' . 30251 2 62 . 1 . 1 10 10 8OG H2' H 1 3.35021 . . . . . . . A 10 8OG H2' . 30251 2 63 . 1 . 1 10 10 8OG H2'' H 1 2.30395 . . . . . . . A 10 8OG H2'' . 30251 2 64 . 1 . 1 10 10 8OG H3' H 1 4.85858 . . . . . . . A 10 8OG H3' . 30251 2 65 . 1 . 1 11 11 DC H1' H 1 5.84541 . . . . . . . A 11 DC H1' . 30251 2 66 . 1 . 1 11 11 DC H2' H 1 1.94403 . . . . . . . A 11 DC H2' . 30251 2 67 . 1 . 1 11 11 DC H2'' H 1 2.37985 . . . . . . . A 11 DC H2'' . 30251 2 68 . 1 . 1 11 11 DC H3' H 1 4.81802 . . . . . . . A 11 DC H3' . 30251 2 69 . 1 . 1 11 11 DC H5 H 1 5.66213 . . . . . . . A 11 DC H5 . 30251 2 70 . 1 . 1 11 11 DC H6 H 1 7.46987 . . . . . . . A 11 DC H6 . 30251 2 71 . 1 . 1 12 12 DG H1' H 1 6.14363 . . . . . . . A 12 DG H1' . 30251 2 72 . 1 . 1 12 12 DG H2' H 1 2.60161 . . . . . . . A 12 DG H2' . 30251 2 73 . 1 . 1 12 12 DG H2'' H 1 2.36188 . . . . . . . A 12 DG H2'' . 30251 2 74 . 1 . 1 12 12 DG H3' H 1 4.66205 . . . . . . . A 12 DG H3' . 30251 2 75 . 1 . 1 12 12 DG H8 H 1 7.94635 . . . . . . . A 12 DG H8 . 30251 2 76 . 2 . 1 1 1 DC H1' H 1 5.78528 . . . . . . . B 13 DC H1' . 30251 2 77 . 2 . 1 1 1 DC H2' H 1 2.02658 . . . . . . . B 13 DC H2' . 30251 2 78 . 2 . 1 1 1 DC H2'' H 1 2.41938 . . . . . . . B 13 DC H2'' . 30251 2 79 . 2 . 1 1 1 DC H3' H 1 4.70607 . . . . . . . B 13 DC H3' . 30251 2 80 . 2 . 1 1 1 DC H5 H 1 5.9191 . . . . . . . B 13 DC H5 . 30251 2 81 . 2 . 1 1 1 DC H6 H 1 7.66465 . . . . . . . B 13 DC H6 . 30251 2 82 . 2 . 1 2 2 DG H1' H 1 6.00779 . . . . . . . B 14 DG H1' . 30251 2 83 . 2 . 1 2 2 DG H2' H 1 2.60862 . . . . . . . B 14 DG H2' . 30251 2 84 . 2 . 1 2 2 DG H2'' H 1 2.80798 . . . . . . . B 14 DG H2'' . 30251 2 85 . 2 . 1 2 2 DG H3' H 1 4.9665 . . . . . . . B 14 DG H3' . 30251 2 86 . 2 . 1 2 2 DG H8 H 1 7.94478 . . . . . . . B 14 DG H8 . 30251 2 87 . 2 . 1 3 3 5CM H1' H 1 5.53709 . . . . . . . B 15 5CM H1' . 30251 2 88 . 2 . 1 3 3 5CM H2' H 1 1.81975 . . . . . . . B 15 5CM H2' . 30251 2 89 . 2 . 1 3 3 5CM H2'' H 1 2.20509 . . . . . . . B 15 5CM H2'' . 30251 2 90 . 2 . 1 3 3 5CM H3' H 1 4.78897 . . . . . . . B 15 5CM H3' . 30251 2 91 . 2 . 1 3 3 5CM H5A1 H 1 1.6108 . . . . . . . B 15 5CM H5A1 . 30251 2 92 . 2 . 1 3 3 5CM H5A2 H 1 1.6108 . . . . . . . B 15 5CM H5A2 . 30251 2 93 . 2 . 1 3 3 5CM H5A3 H 1 1.6108 . . . . . . . B 15 5CM H5A3 . 30251 2 94 . 2 . 1 3 3 5CM H6 H 1 7.04725 . . . . . . . B 15 5CM H6 . 30251 2 95 . 2 . 1 4 4 DG H1' H 1 5.47063 . . . . . . . B 16 DG H1' . 30251 2 96 . 2 . 1 4 4 DG H2' H 1 2.6707 . . . . . . . B 16 DG H2' . 30251 2 97 . 2 . 1 4 4 DG H2'' H 1 2.74413 . . . . . . . B 16 DG H2'' . 30251 2 98 . 2 . 1 4 4 DG H3' H 1 4.98918 . . . . . . . B 16 DG H3' . 30251 2 99 . 2 . 1 4 4 DG H8 H 1 7.81804 . . . . . . . B 16 DG H8 . 30251 2 100 . 2 . 1 5 5 DA H1' H 1 6.01838 . . . . . . . B 17 DA H1' . 30251 2 101 . 2 . 1 5 5 DA H2 H 1 7.28239 . . . . . . . B 17 DA H2 . 30251 2 102 . 2 . 1 5 5 DA H2' H 1 2.68336 . . . . . . . B 17 DA H2' . 30251 2 103 . 2 . 1 5 5 DA H2'' H 1 2.94162 . . . . . . . B 17 DA H2'' . 30251 2 104 . 2 . 1 5 5 DA H3' H 1 5.05885 . . . . . . . B 17 DA H3' . 30251 2 105 . 2 . 1 5 5 DA H8 H 1 8.10991 . . . . . . . B 17 DA H8 . 30251 2 106 . 2 . 1 6 6 DA H1' H 1 6.16378 . . . . . . . B 18 DA H1' . 30251 2 107 . 2 . 1 6 6 DA H2 H 1 7.59233 . . . . . . . B 18 DA H2 . 30251 2 108 . 2 . 1 6 6 DA H2' H 1 2.55995 . . . . . . . B 18 DA H2' . 30251 2 109 . 2 . 1 6 6 DA H2'' H 1 2.93878 . . . . . . . B 18 DA H2'' . 30251 2 110 . 2 . 1 6 6 DA H3' H 1 5.00672 . . . . . . . B 18 DA H3' . 30251 2 111 . 2 . 1 6 6 DA H8 H 1 8.11357 . . . . . . . B 18 DA H8 . 30251 2 112 . 2 . 1 7 7 DT H1' H 1 5.91875 . . . . . . . B 19 DT H1' . 30251 2 113 . 2 . 1 7 7 DT H2' H 1 1.99466 . . . . . . . B 19 DT H2' . 30251 2 114 . 2 . 1 7 7 DT H2'' H 1 2.57157 . . . . . . . B 19 DT H2'' . 30251 2 115 . 2 . 1 7 7 DT H3' H 1 4.8344 . . . . . . . B 19 DT H3' . 30251 2 116 . 2 . 1 7 7 DT H6 H 1 7.10617 . . . . . . . B 19 DT H6 . 30251 2 117 . 2 . 1 7 7 DT H71 H 1 1.26317 . . . . . . . B 19 DT H71 . 30251 2 118 . 2 . 1 7 7 DT H72 H 1 1.26317 . . . . . . . B 19 DT H72 . 30251 2 119 . 2 . 1 7 7 DT H73 H 1 1.26317 . . . . . . . B 19 DT H73 . 30251 2 120 . 2 . 1 8 8 DT H1' H 1 6.13809 . . . . . . . B 20 DT H1' . 30251 2 121 . 2 . 1 8 8 DT H2' H 1 2.13825 . . . . . . . B 20 DT H2' . 30251 2 122 . 2 . 1 8 8 DT H2'' H 1 2.64966 . . . . . . . B 20 DT H2'' . 30251 2 123 . 2 . 1 8 8 DT H3' H 1 4.90551 . . . . . . . B 20 DT H3' . 30251 2 124 . 2 . 1 8 8 DT H6 H 1 7.42895 . . . . . . . B 20 DT H6 . 30251 2 125 . 2 . 1 8 8 DT H71 H 1 1.53426 . . . . . . . B 20 DT H71 . 30251 2 126 . 2 . 1 8 8 DT H72 H 1 1.53426 . . . . . . . B 20 DT H72 . 30251 2 127 . 2 . 1 8 8 DT H73 H 1 1.53426 . . . . . . . B 20 DT H73 . 30251 2 128 . 2 . 1 9 9 5CM H1' H 1 6.023 . . . . . . . B 21 5CM H1' . 30251 2 129 . 2 . 1 9 9 5CM H2' H 1 1.95598 . . . . . . . B 21 5CM H2' . 30251 2 130 . 2 . 1 9 9 5CM H2'' H 1 2.60858 . . . . . . . B 21 5CM H2'' . 30251 2 131 . 2 . 1 9 9 5CM H3' H 1 4.90116 . . . . . . . B 21 5CM H3' . 30251 2 132 . 2 . 1 9 9 5CM H5A1 H 1 1.72792 . . . . . . . B 21 5CM H5A1 . 30251 2 133 . 2 . 1 9 9 5CM H5A2 H 1 1.72792 . . . . . . . B 21 5CM H5A2 . 30251 2 134 . 2 . 1 9 9 5CM H5A3 H 1 1.72792 . . . . . . . B 21 5CM H5A3 . 30251 2 135 . 2 . 1 9 9 5CM H6 H 1 7.31642 . . . . . . . B 21 5CM H6 . 30251 2 136 . 2 . 1 10 10 8OG H1' H 1 5.47132 . . . . . . . B 22 8OG H1' . 30251 2 137 . 2 . 1 10 10 8OG H2' H 1 3.35021 . . . . . . . B 22 8OG H2' . 30251 2 138 . 2 . 1 10 10 8OG H2'' H 1 2.30395 . . . . . . . B 22 8OG H2'' . 30251 2 139 . 2 . 1 10 10 8OG H3' H 1 4.85858 . . . . . . . B 22 8OG H3' . 30251 2 140 . 2 . 1 11 11 DC H1' H 1 5.84541 . . . . . . . B 23 DC H1' . 30251 2 141 . 2 . 1 11 11 DC H2' H 1 1.94403 . . . . . . . B 23 DC H2' . 30251 2 142 . 2 . 1 11 11 DC H2'' H 1 2.37985 . . . . . . . B 23 DC H2'' . 30251 2 143 . 2 . 1 11 11 DC H3' H 1 4.81802 . . . . . . . B 23 DC H3' . 30251 2 144 . 2 . 1 11 11 DC H5 H 1 5.66213 . . . . . . . B 23 DC H5 . 30251 2 145 . 2 . 1 11 11 DC H6 H 1 7.46987 . . . . . . . B 23 DC H6 . 30251 2 146 . 2 . 1 12 12 DG H1' H 1 6.14363 . . . . . . . B 24 DG H1' . 30251 2 147 . 2 . 1 12 12 DG H2' H 1 2.60161 . . . . . . . B 24 DG H2' . 30251 2 148 . 2 . 1 12 12 DG H2'' H 1 2.36188 . . . . . . . B 24 DG H2'' . 30251 2 149 . 2 . 1 12 12 DG H3' H 1 4.66205 . . . . . . . B 24 DG H3' . 30251 2 150 . 2 . 1 12 12 DG H8 H 1 7.94635 . . . . . . . B 24 DG H8 . 30251 2 stop_ save_