################################### # 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 30151 _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 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' . . . 30151 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 3 $software_3 . . 30151 1 5 $software_5 . . 30151 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 12.8501 0.01 . . . . . . A 2 DG H1 . 30151 1 2 . 1 . 1 3 3 DC H42 H 1 8.46328 0.01 . . . . . . A 3 DC H42 . 30151 1 3 . 1 . 1 4 4 DG H1 H 1 12.72366 0.01 . . . . . . A 4 DG H1 . 30151 1 4 . 1 . 1 5 5 DA H2 H 1 7.20667 0.01 . . . . . . A 5 DA H2 . 30151 1 5 . 1 . 1 6 6 DA H2 H 1 7.58176 0.01 . . . . . . A 6 DA H2 . 30151 1 6 . 1 . 1 7 7 DT H3 H 1 13.73903 0.01 . . . . . . A 7 DT H3 . 30151 1 7 . 1 . 1 8 8 DT H3 H 1 13.80161 0.01 . . . . . . A 8 DT H3 . 30151 1 8 . 1 . 1 9 9 5CM HN41 H 1 8.57597 0.01 . . . . . . A 9 5CM HN41 . 30151 1 9 . 1 . 1 9 9 5CM HN42 H 1 6.57107 0.01 . . . . . . A 9 5CM HN42 . 30151 1 10 . 1 . 1 10 10 DG H1 H 1 13.06357 0.01 . . . . . . A 10 DG H1 . 30151 1 11 . 1 . 1 11 11 DC H41 H 1 8.43364 0.01 . . . . . . A 11 DC H41 . 30151 1 12 . 1 . 1 11 11 DC H42 H 1 6.46838 0.01 . . . . . . A 11 DC H42 . 30151 1 13 . 2 . 1 2 2 DG H1 H 1 12.8501 0.01 . . . . . . B 14 DG H1 . 30151 1 14 . 2 . 1 3 3 DC H42 H 1 8.46328 0.01 . . . . . . B 15 DC H42 . 30151 1 15 . 2 . 1 4 4 DG H1 H 1 12.72366 0.01 . . . . . . B 16 DG H1 . 30151 1 16 . 2 . 1 5 5 DA H2 H 1 7.20667 0.01 . . . . . . B 17 DA H2 . 30151 1 17 . 2 . 1 6 6 DA H2 H 1 7.58176 0.01 . . . . . . B 18 DA H2 . 30151 1 18 . 2 . 1 7 7 DT H3 H 1 13.73903 0.01 . . . . . . B 19 DT H3 . 30151 1 19 . 2 . 1 8 8 DT H3 H 1 13.80161 0.01 . . . . . . B 20 DT H3 . 30151 1 20 . 2 . 1 9 9 5CM HN41 H 1 8.57597 0.01 . . . . . . B 21 5CM HN41 . 30151 1 21 . 2 . 1 9 9 5CM HN42 H 1 6.57107 0.01 . . . . . . B 21 5CM HN42 . 30151 1 22 . 2 . 1 10 10 DG H1 H 1 13.06357 0.01 . . . . . . B 22 DG H1 . 30151 1 23 . 2 . 1 11 11 DC H41 H 1 8.43364 0.01 . . . . . . B 23 DC H41 . 30151 1 24 . 2 . 1 11 11 DC H42 H 1 6.46838 0.01 . . . . . . B 23 DC H42 . 30151 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 30151 _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 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' . . . 30151 2 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 3 $software_3 . . 30151 2 5 $software_5 . . 30151 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 5.74611 0.01 . . . . . . A 1 DC H1' . 30151 2 2 . 1 . 1 1 1 DC H2' H 1 1.96208 0.01 . . . . . . A 1 DC H2' . 30151 2 3 . 1 . 1 1 1 DC H2'' H 1 2.39232 0.01 . . . . . . A 1 DC H2'' . 30151 2 4 . 1 . 1 1 1 DC H3' H 1 4.68371 0.01 . . . . . . A 1 DC H3' . 30151 2 5 . 1 . 1 1 1 DC H4' H 1 4.05066 0.01 . . . . . . A 1 DC H4' . 30151 2 6 . 1 . 1 1 1 DC H5 H 1 5.88981 0.01 . . . . . . A 1 DC H5 . 30151 2 7 . 1 . 1 1 1 DC H6 H 1 7.62096 0.01 . . . . . . A 1 DC H6 . 30151 2 8 . 1 . 1 2 2 DG H1' H 1 5.87299 0.01 . . . . . . A 2 DG H1' . 30151 2 9 . 1 . 1 2 2 DG H2' H 1 2.63503 0.01 . . . . . . A 2 DG H2' . 30151 2 10 . 1 . 1 2 2 DG H2'' H 1 2.70653 0.01 . . . . . . A 2 DG H2'' . 30151 2 11 . 1 . 1 2 2 DG H3' H 1 4.94365 0.01 . . . . . . A 2 DG H3' . 30151 2 12 . 1 . 1 2 2 DG H4' H 1 4.32345 0.01 . . . . . . A 2 DG H4' . 30151 2 13 . 1 . 1 2 2 DG H8 H 1 7.92915 0.01 . . . . . . A 2 DG H8 . 30151 2 14 . 1 . 1 3 3 DC H1' H 1 5.61071 0.01 . . . . . . A 3 DC H1' . 30151 2 15 . 1 . 1 3 3 DC H2' H 1 1.83428 0.01 . . . . . . A 3 DC H2' . 30151 2 16 . 1 . 1 3 3 DC H2'' H 1 2.28265 0.01 . . . . . . A 3 DC H2'' . 30151 2 17 . 1 . 1 3 3 DC H4' H 1 4.09735 0.01 . . . . . . A 3 DC H4' . 30151 2 18 . 1 . 1 3 3 DC H5 H 1 5.35988 0.01 . . . . . . A 3 DC H5 . 30151 2 19 . 1 . 1 3 3 DC H6 H 1 7.23737 0.01 . . . . . . A 3 DC H6 . 30151 2 20 . 1 . 1 4 4 DG H1' H 1 5.41396 0.01 . . . . . . A 4 DG H1' . 30151 2 21 . 1 . 1 4 4 DG H2' H 1 2.63542 0.01 . . . . . . A 4 DG H2' . 30151 2 22 . 1 . 1 4 4 DG H2'' H 1 2.70681 0.01 . . . . . . A 4 DG H2'' . 30151 2 23 . 1 . 1 4 4 DG H3' H 1 4.96665 0.01 . . . . . . A 4 DG H3' . 30151 2 24 . 1 . 1 4 4 DG H4' H 1 4.28977 0.01 . . . . . . A 4 DG H4' . 30151 2 25 . 1 . 1 4 4 DG H8 H 1 7.82812 0.01 . . . . . . A 4 DG H8 . 30151 2 26 . 1 . 1 5 5 DA H1' H 1 5.96806 0.01 . . . . . . A 5 DA H1' . 30151 2 27 . 1 . 1 5 5 DA H2 H 1 7.2306 0.01 . . . . . . A 5 DA H2 . 30151 2 28 . 1 . 1 5 5 DA H2' H 1 2.67689 0.01 . . . . . . A 5 DA H2' . 30151 2 29 . 1 . 1 5 5 DA H2'' H 1 2.90742 0.01 . . . . . . A 5 DA H2'' . 30151 2 30 . 1 . 1 5 5 DA H3' H 1 5.04038 0.01 . . . . . . A 5 DA H3' . 30151 2 31 . 1 . 1 5 5 DA H4' H 1 4.43787 0.01 . . . . . . A 5 DA H4' . 30151 2 32 . 1 . 1 5 5 DA H8 H 1 8.10039 0.01 . . . . . . A 5 DA H8 . 30151 2 33 . 1 . 1 6 6 DA H1' H 1 6.14204 0.01 . . . . . . A 6 DA H1' . 30151 2 34 . 1 . 1 6 6 DA H2 H 1 7.57557 0.01 . . . . . . A 6 DA H2 . 30151 2 35 . 1 . 1 6 6 DA H2' H 1 2.54982 0.01 . . . . . . A 6 DA H2' . 30151 2 36 . 1 . 1 6 6 DA H2'' H 1 2.90877 0.01 . . . . . . A 6 DA H2'' . 30151 2 37 . 1 . 1 6 6 DA H3' H 1 4.98576 0.01 . . . . . . A 6 DA H3' . 30151 2 38 . 1 . 1 6 6 DA H4' H 1 4.44539 0.01 . . . . . . A 6 DA H4' . 30151 2 39 . 1 . 1 6 6 DA H8 H 1 8.10148 0.01 . . . . . . A 6 DA H8 . 30151 2 40 . 1 . 1 7 7 DT H1' H 1 5.88994 0.01 . . . . . . A 7 DT H1' . 30151 2 41 . 1 . 1 7 7 DT H2' H 1 1.96105 0.01 . . . . . . A 7 DT H2' . 30151 2 42 . 1 . 1 7 7 DT H2'' H 1 2.54077 0.01 . . . . . . A 7 DT H2'' . 30151 2 43 . 1 . 1 7 7 DT H4' H 1 4.18394 0.01 . . . . . . A 7 DT H4' . 30151 2 44 . 1 . 1 7 7 DT H6 H 1 7.08546 0.01 . . . . . . A 7 DT H6 . 30151 2 45 . 1 . 1 7 7 DT H71 H 1 1.24434 0.01 . . . . . . A 7 DT H71 . 30151 2 46 . 1 . 1 7 7 DT H72 H 1 1.24434 0.01 . . . . . . A 7 DT H72 . 30151 2 47 . 1 . 1 7 7 DT H73 H 1 1.24434 0.01 . . . . . . A 7 DT H73 . 30151 2 48 . 1 . 1 8 8 DT H1' H 1 6.08203 0.01 . . . . . . A 8 DT H1' . 30151 2 49 . 1 . 1 8 8 DT H2' H 1 2.06986 0.01 . . . . . . A 8 DT H2' . 30151 2 50 . 1 . 1 8 8 DT H2'' H 1 2.58021 0.01 . . . . . . A 8 DT H2'' . 30151 2 51 . 1 . 1 8 8 DT H3' H 1 4.87678 0.01 . . . . . . A 8 DT H3' . 30151 2 52 . 1 . 1 8 8 DT H4' H 1 4.18176 0.01 . . . . . . A 8 DT H4' . 30151 2 53 . 1 . 1 8 8 DT H6 H 1 7.38733 0.01 . . . . . . A 8 DT H6 . 30151 2 54 . 1 . 1 8 8 DT H71 H 1 1.51965 0.01 . . . . . . A 8 DT H71 . 30151 2 55 . 1 . 1 8 8 DT H72 H 1 1.51965 0.01 . . . . . . A 8 DT H72 . 30151 2 56 . 1 . 1 8 8 DT H73 H 1 1.51965 0.01 . . . . . . A 8 DT H73 . 30151 2 57 . 1 . 1 9 9 5CM H1' H 1 5.61383 0.01 . . . . . . A 9 5CM H1' . 30151 2 58 . 1 . 1 9 9 5CM H2' H 1 2.03881 0.01 . . . . . . A 9 5CM H2' . 30151 2 59 . 1 . 1 9 9 5CM H2'' H 1 2.34683 0.01 . . . . . . A 9 5CM H2'' . 30151 2 60 . 1 . 1 9 9 5CM H3' H 1 4.849 0.01 . . . . . . A 9 5CM H3' . 30151 2 61 . 1 . 1 9 9 5CM H4' H 1 4.1721 0.01 . . . . . . A 9 5CM H4' . 30151 2 62 . 1 . 1 9 9 5CM H5A1 H 1 1.71302 0.01 . . . . . . A 9 5CM H5A1 . 30151 2 63 . 1 . 1 9 9 5CM H5A2 H 1 1.71302 0.01 . . . . . . A 9 5CM H5A2 . 30151 2 64 . 1 . 1 9 9 5CM H5A3 H 1 1.71302 0.01 . . . . . . A 9 5CM H5A3 . 30151 2 65 . 1 . 1 9 9 5CM H6 H 1 7.24825 0.01 . . . . . . A 9 5CM H6 . 30151 2 66 . 1 . 1 10 10 DG H1' H 1 5.80349 0.01 . . . . . . A 10 DG H1' . 30151 2 67 . 1 . 1 10 10 DG H2' H 1 2.62153 0.01 . . . . . . A 10 DG H2' . 30151 2 68 . 1 . 1 10 10 DG H2'' H 1 2.66134 0.01 . . . . . . A 10 DG H2'' . 30151 2 69 . 1 . 1 10 10 DG H3' H 1 4.95921 0.01 . . . . . . A 10 DG H3' . 30151 2 70 . 1 . 1 10 10 DG H4' H 1 4.3436 0.01 . . . . . . A 10 DG H4' . 30151 2 71 . 1 . 1 10 10 DG H8 H 1 7.86466 0.01 . . . . . . A 10 DG H8 . 30151 2 72 . 1 . 1 11 11 DC H1' H 1 5.75832 0.01 . . . . . . A 11 DC H1' . 30151 2 73 . 1 . 1 11 11 DC H2' H 1 1.88094 0.01 . . . . . . A 11 DC H2' . 30151 2 74 . 1 . 1 11 11 DC H2'' H 1 2.32104 0.01 . . . . . . A 11 DC H2'' . 30151 2 75 . 1 . 1 11 11 DC H4' H 1 4.13335 0.01 . . . . . . A 11 DC H4' . 30151 2 76 . 1 . 1 11 11 DC H5 H 1 5.41072 0.01 . . . . . . A 11 DC H5 . 30151 2 77 . 1 . 1 11 11 DC H6 H 1 7.31561 0.01 . . . . . . A 11 DC H6 . 30151 2 78 . 1 . 1 12 12 DG H1' H 1 6.13366 0.01 . . . . . . A 12 DG H1' . 30151 2 79 . 1 . 1 12 12 DG H2' H 1 2.59196 0.01 . . . . . . A 12 DG H2' . 30151 2 80 . 1 . 1 12 12 DG H2'' H 1 2.33821 0.01 . . . . . . A 12 DG H2'' . 30151 2 81 . 1 . 1 12 12 DG H3' H 1 4.65435 0.01 . . . . . . A 12 DG H3' . 30151 2 82 . 1 . 1 12 12 DG H4' H 1 4.14359 0.01 . . . . . . A 12 DG H4' . 30151 2 83 . 1 . 1 12 12 DG H8 H 1 7.92319 0.01 . . . . . . A 12 DG H8 . 30151 2 84 . 2 . 1 1 1 DC H1' H 1 5.74611 0.01 . . . . . . B 13 DC H1' . 30151 2 85 . 2 . 1 1 1 DC H2' H 1 1.96208 0.01 . . . . . . B 13 DC H2' . 30151 2 86 . 2 . 1 1 1 DC H2'' H 1 2.39232 0.01 . . . . . . B 13 DC H2'' . 30151 2 87 . 2 . 1 1 1 DC H3' H 1 4.68371 0.01 . . . . . . B 13 DC H3' . 30151 2 88 . 2 . 1 1 1 DC H4' H 1 4.05066 0.01 . . . . . . B 13 DC H4' . 30151 2 89 . 2 . 1 1 1 DC H5 H 1 5.88981 0.01 . . . . . . B 13 DC H5 . 30151 2 90 . 2 . 1 1 1 DC H6 H 1 7.62096 0.01 . . . . . . B 13 DC H6 . 30151 2 91 . 2 . 1 2 2 DG H1' H 1 5.87299 0.01 . . . . . . B 14 DG H1' . 30151 2 92 . 2 . 1 2 2 DG H2' H 1 2.63503 0.01 . . . . . . B 14 DG H2' . 30151 2 93 . 2 . 1 2 2 DG H2'' H 1 2.70653 0.01 . . . . . . B 14 DG H2'' . 30151 2 94 . 2 . 1 2 2 DG H3' H 1 4.94365 0.01 . . . . . . B 14 DG H3' . 30151 2 95 . 2 . 1 2 2 DG H4' H 1 4.32345 0.01 . . . . . . B 14 DG H4' . 30151 2 96 . 2 . 1 2 2 DG H8 H 1 7.92915 0.01 . . . . . . B 14 DG H8 . 30151 2 97 . 2 . 1 3 3 DC H1' H 1 5.61071 0.01 . . . . . . B 15 DC H1' . 30151 2 98 . 2 . 1 3 3 DC H2' H 1 1.83428 0.01 . . . . . . B 15 DC H2' . 30151 2 99 . 2 . 1 3 3 DC H2'' H 1 2.28265 0.01 . . . . . . B 15 DC H2'' . 30151 2 100 . 2 . 1 3 3 DC H4' H 1 4.09735 0.01 . . . . . . B 15 DC H4' . 30151 2 101 . 2 . 1 3 3 DC H5 H 1 5.35988 0.01 . . . . . . B 15 DC H5 . 30151 2 102 . 2 . 1 3 3 DC H6 H 1 7.23737 0.01 . . . . . . B 15 DC H6 . 30151 2 103 . 2 . 1 4 4 DG H1' H 1 5.41396 0.01 . . . . . . B 16 DG H1' . 30151 2 104 . 2 . 1 4 4 DG H2' H 1 2.63542 0.01 . . . . . . B 16 DG H2' . 30151 2 105 . 2 . 1 4 4 DG H2'' H 1 2.70681 0.01 . . . . . . B 16 DG H2'' . 30151 2 106 . 2 . 1 4 4 DG H3' H 1 4.96665 0.01 . . . . . . B 16 DG H3' . 30151 2 107 . 2 . 1 4 4 DG H4' H 1 4.28977 0.01 . . . . . . B 16 DG H4' . 30151 2 108 . 2 . 1 4 4 DG H8 H 1 7.82812 0.01 . . . . . . B 16 DG H8 . 30151 2 109 . 2 . 1 5 5 DA H1' H 1 5.96806 0.01 . . . . . . B 17 DA H1' . 30151 2 110 . 2 . 1 5 5 DA H2 H 1 7.2306 0.01 . . . . . . B 17 DA H2 . 30151 2 111 . 2 . 1 5 5 DA H2' H 1 2.67689 0.01 . . . . . . B 17 DA H2' . 30151 2 112 . 2 . 1 5 5 DA H2'' H 1 2.90742 0.01 . . . . . . B 17 DA H2'' . 30151 2 113 . 2 . 1 5 5 DA H3' H 1 5.04038 0.01 . . . . . . B 17 DA H3' . 30151 2 114 . 2 . 1 5 5 DA H4' H 1 4.43787 0.01 . . . . . . B 17 DA H4' . 30151 2 115 . 2 . 1 5 5 DA H8 H 1 8.10039 0.01 . . . . . . B 17 DA H8 . 30151 2 116 . 2 . 1 6 6 DA H1' H 1 6.14204 0.01 . . . . . . B 18 DA H1' . 30151 2 117 . 2 . 1 6 6 DA H2 H 1 7.57557 0.01 . . . . . . B 18 DA H2 . 30151 2 118 . 2 . 1 6 6 DA H2' H 1 2.54982 0.01 . . . . . . B 18 DA H2' . 30151 2 119 . 2 . 1 6 6 DA H2'' H 1 2.90877 0.01 . . . . . . B 18 DA H2'' . 30151 2 120 . 2 . 1 6 6 DA H3' H 1 4.98576 0.01 . . . . . . B 18 DA H3' . 30151 2 121 . 2 . 1 6 6 DA H4' H 1 4.44539 0.01 . . . . . . B 18 DA H4' . 30151 2 122 . 2 . 1 6 6 DA H8 H 1 8.10148 0.01 . . . . . . B 18 DA H8 . 30151 2 123 . 2 . 1 7 7 DT H1' H 1 5.88994 0.01 . . . . . . B 19 DT H1' . 30151 2 124 . 2 . 1 7 7 DT H2' H 1 1.96105 0.01 . . . . . . B 19 DT H2' . 30151 2 125 . 2 . 1 7 7 DT H2'' H 1 2.54077 0.01 . . . . . . B 19 DT H2'' . 30151 2 126 . 2 . 1 7 7 DT H4' H 1 4.18394 0.01 . . . . . . B 19 DT H4' . 30151 2 127 . 2 . 1 7 7 DT H6 H 1 7.08546 0.01 . . . . . . B 19 DT H6 . 30151 2 128 . 2 . 1 7 7 DT H71 H 1 1.24434 0.01 . . . . . . B 19 DT H71 . 30151 2 129 . 2 . 1 7 7 DT H72 H 1 1.24434 0.01 . . . . . . B 19 DT H72 . 30151 2 130 . 2 . 1 7 7 DT H73 H 1 1.24434 0.01 . . . . . . B 19 DT H73 . 30151 2 131 . 2 . 1 8 8 DT H1' H 1 6.08203 0.01 . . . . . . B 20 DT H1' . 30151 2 132 . 2 . 1 8 8 DT H2' H 1 2.06986 0.01 . . . . . . B 20 DT H2' . 30151 2 133 . 2 . 1 8 8 DT H2'' H 1 2.58021 0.01 . . . . . . B 20 DT H2'' . 30151 2 134 . 2 . 1 8 8 DT H3' H 1 4.87678 0.01 . . . . . . B 20 DT H3' . 30151 2 135 . 2 . 1 8 8 DT H4' H 1 4.18176 0.01 . . . . . . B 20 DT H4' . 30151 2 136 . 2 . 1 8 8 DT H6 H 1 7.38733 0.01 . . . . . . B 20 DT H6 . 30151 2 137 . 2 . 1 8 8 DT H71 H 1 1.51965 0.01 . . . . . . B 20 DT H71 . 30151 2 138 . 2 . 1 8 8 DT H72 H 1 1.51965 0.01 . . . . . . B 20 DT H72 . 30151 2 139 . 2 . 1 8 8 DT H73 H 1 1.51965 0.01 . . . . . . B 20 DT H73 . 30151 2 140 . 2 . 1 9 9 5CM H1' H 1 5.61383 0.01 . . . . . . B 21 5CM H1' . 30151 2 141 . 2 . 1 9 9 5CM H2' H 1 2.03881 0.01 . . . . . . B 21 5CM H2' . 30151 2 142 . 2 . 1 9 9 5CM H2'' H 1 2.34683 0.01 . . . . . . B 21 5CM H2'' . 30151 2 143 . 2 . 1 9 9 5CM H3' H 1 4.849 0.01 . . . . . . B 21 5CM H3' . 30151 2 144 . 2 . 1 9 9 5CM H4' H 1 4.1721 0.01 . . . . . . B 21 5CM H4' . 30151 2 145 . 2 . 1 9 9 5CM H5A1 H 1 1.71302 0.01 . . . . . . B 21 5CM H5A1 . 30151 2 146 . 2 . 1 9 9 5CM H5A2 H 1 1.71302 0.01 . . . . . . B 21 5CM H5A2 . 30151 2 147 . 2 . 1 9 9 5CM H5A3 H 1 1.71302 0.01 . . . . . . B 21 5CM H5A3 . 30151 2 148 . 2 . 1 9 9 5CM H6 H 1 7.24825 0.01 . . . . . . B 21 5CM H6 . 30151 2 149 . 2 . 1 10 10 DG H1' H 1 5.80349 0.01 . . . . . . B 22 DG H1' . 30151 2 150 . 2 . 1 10 10 DG H2' H 1 2.62153 0.01 . . . . . . B 22 DG H2' . 30151 2 151 . 2 . 1 10 10 DG H2'' H 1 2.66134 0.01 . . . . . . B 22 DG H2'' . 30151 2 152 . 2 . 1 10 10 DG H3' H 1 4.95921 0.01 . . . . . . B 22 DG H3' . 30151 2 153 . 2 . 1 10 10 DG H4' H 1 4.3436 0.01 . . . . . . B 22 DG H4' . 30151 2 154 . 2 . 1 10 10 DG H8 H 1 7.86466 0.01 . . . . . . B 22 DG H8 . 30151 2 155 . 2 . 1 11 11 DC H1' H 1 5.75832 0.01 . . . . . . B 23 DC H1' . 30151 2 156 . 2 . 1 11 11 DC H2' H 1 1.88094 0.01 . . . . . . B 23 DC H2' . 30151 2 157 . 2 . 1 11 11 DC H2'' H 1 2.32104 0.01 . . . . . . B 23 DC H2'' . 30151 2 158 . 2 . 1 11 11 DC H4' H 1 4.13335 0.01 . . . . . . B 23 DC H4' . 30151 2 159 . 2 . 1 11 11 DC H5 H 1 5.41072 0.01 . . . . . . B 23 DC H5 . 30151 2 160 . 2 . 1 11 11 DC H6 H 1 7.31561 0.01 . . . . . . B 23 DC H6 . 30151 2 161 . 2 . 1 12 12 DG H1' H 1 6.13366 0.01 . . . . . . B 24 DG H1' . 30151 2 162 . 2 . 1 12 12 DG H2' H 1 2.59196 0.01 . . . . . . B 24 DG H2' . 30151 2 163 . 2 . 1 12 12 DG H2'' H 1 2.33821 0.01 . . . . . . B 24 DG H2'' . 30151 2 164 . 2 . 1 12 12 DG H3' H 1 4.65435 0.01 . . . . . . B 24 DG H3' . 30151 2 165 . 2 . 1 12 12 DG H4' H 1 4.14359 0.01 . . . . . . B 24 DG H4' . 30151 2 166 . 2 . 1 12 12 DG H8 H 1 7.92319 0.01 . . . . . . B 24 DG H8 . 30151 2 stop_ save_