################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4416 _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 _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 $sample_1 . 4416 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 DG H8 H 1 7.92 . . 1 . . . . . . . . 4416 1 2 . 1 1 1 1 DG H1' H 1 5.95 . . 1 . . . . . . . . 4416 1 3 . 1 1 1 1 DG H2' H 1 2.74 . . 5 . . . . . . . . 4416 1 4 . 1 1 1 1 DG H2'' H 1 2.62 . . 5 . . . . . . . . 4416 1 5 . 1 1 1 1 DG H3' H 1 5.06 . . 1 . . . . . . . . 4416 1 6 . 1 1 1 1 DG H4' H 1 4.13 . . 5 . . . . . . . . 4416 1 7 . 1 1 1 1 DG P P 31 -4.17 . . 1 . . . . . . . . 4416 1 8 . 1 1 2 2 DC H41 H 1 6.55 . . 1 . . . . . . . . 4416 1 9 . 1 1 2 2 DC H42 H 1 8.44 . . 1 . . . . . . . . 4416 1 10 . 1 1 2 2 DC H5 H 1 5.45 . . 5 . . . . . . . . 4416 1 11 . 1 1 2 2 DC H6 H 1 7.52 . . 1 . . . . . . . . 4416 1 12 . 1 1 2 2 DC H1' H 1 5.66 . . 1 . . . . . . . . 4416 1 13 . 1 1 2 2 DC H2' H 1 2.62 . . 5 . . . . . . . . 4416 1 14 . 1 1 2 2 DC H2'' H 1 2.82 . . 5 . . . . . . . . 4416 1 15 . 1 1 2 2 DC H3' H 1 4.91 . . 1 . . . . . . . . 4416 1 16 . 1 1 2 2 DC H4' H 1 4.22 . . 5 . . . . . . . . 4416 1 17 . 1 1 2 2 DC P P 31 -3.88 . . 1 . . . . . . . . 4416 1 18 . 1 1 3 3 DA H2 H 1 7.79 . . 1 . . . . . . . . 4416 1 19 . 1 1 3 3 DA H8 H 1 8.32 . . 1 . . . . . . . . 4416 1 20 . 1 1 3 3 DA H1' H 1 6.24 . . 1 . . . . . . . . 4416 1 21 . 1 1 3 3 DA H2' H 1 2.73 . . 1 . . . . . . . . 4416 1 22 . 1 1 3 3 DA H2'' H 1 2.89 . . 1 . . . . . . . . 4416 1 23 . 1 1 3 3 DA H3' H 1 4.82 . . 5 . . . . . . . . 4416 1 24 . 1 1 3 3 DA H4' H 1 4.12 . . 5 . . . . . . . . 4416 1 25 . 1 1 3 3 DA P P 31 -4.20 . . 1 . . . . . . . . 4416 1 26 . 1 1 4 4 DC H41 H 1 6.57 . . 1 . . . . . . . . 4416 1 27 . 1 1 4 4 DC H42 H 1 8.21 . . 1 . . . . . . . . 4416 1 28 . 1 1 4 4 DC H5 H 1 5.28 . . 1 . . . . . . . . 4416 1 29 . 1 1 4 4 DC H6 H 1 7.22 . . 5 . . . . . . . . 4416 1 30 . 1 1 4 4 DC H1' H 1 5.39 . . 1 . . . . . . . . 4416 1 31 . 1 1 4 4 DC H2' H 1 1.83 . . 1 . . . . . . . . 4416 1 32 . 1 1 4 4 DC H2'' H 1 2.21 . . 1 . . . . . . . . 4416 1 33 . 1 1 4 4 DC H3' H 1 4.82 . . 5 . . . . . . . . 4416 1 34 . 1 1 4 4 DC H4' H 1 4.11 . . 1 . . . . . . . . 4416 1 35 . 1 1 4 4 DC P P 31 -3.89 . . 1 . . . . . . . . 4416 1 36 . 1 1 5 5 DG H1 H 1 12.55 . . 1 . . . . . . . . 4416 1 37 . 1 1 5 5 DG H8 H 1 7.85 . . 1 . . . . . . . . 4416 1 38 . 1 1 5 5 DG H1' H 1 5.45 . . 1 . . . . . . . . 4416 1 39 . 1 1 5 5 DG H2' H 1 2.67 . . 1 . . . . . . . . 4416 1 40 . 1 1 5 5 DG H2'' H 1 2.79 . . 1 . . . . . . . . 4416 1 41 . 1 1 5 5 DG H3' H 1 4.88 . . 5 . . . . . . . . 4416 1 42 . 1 1 5 5 DG H4' H 1 4.34 . . 1 . . . . . . . . 4416 1 43 . 1 1 5 5 DG P P 31 -4.12 . . 1 . . . . . . . . 4416 1 44 . 1 1 6 6 DA H2 H 1 7.16 . . 1 . . . . . . . . 4416 1 45 . 1 1 6 6 DA H8 H 1 8.14 . . 1 . . . . . . . . 4416 1 46 . 1 1 6 6 DA H1' H 1 6.03 . . 1 . . . . . . . . 4416 1 47 . 1 1 6 6 DA H2' H 1 2.72 . . 1 . . . . . . . . 4416 1 48 . 1 1 6 6 DA H2'' H 1 2.98 . . 5 . . . . . . . . 4416 1 49 . 1 1 6 6 DA H3' H 1 4.49 . . 1 . . . . . . . . 4416 1 50 . 1 1 6 6 DA H4' H 1 4.26 . . 1 . . . . . . . . 4416 1 51 . 1 1 6 6 DA P P 31 -4.23 . . 1 . . . . . . . . 4416 1 52 . 1 1 7 7 DA H2 H 1 7.60 . . 5 . . . . . . . . 4416 1 53 . 1 1 7 7 DA H8 H 1 8.16 . . 1 . . . . . . . . 4416 1 54 . 1 1 7 7 DA H1' H 1 6.19 . . 1 . . . . . . . . 4416 1 55 . 1 1 7 7 DA H2' H 1 2.68 . . 1 . . . . . . . . 4416 1 56 . 1 1 7 7 DA H2'' H 1 2.97 . . 5 . . . . . . . . 4416 1 57 . 1 1 7 7 DA H3' H 1 4.53 . . 5 . . . . . . . . 4416 1 58 . 1 1 7 7 DA H4' H 1 4.08 . . 5 . . . . . . . . 4416 1 59 . 1 1 7 7 DA P P 31 -4.29 . . 5 . . . . . . . . 4416 1 60 . 1 1 8 8 DT H3 H 1 13.65 . . 1 . . . . . . . . 4416 1 61 . 1 1 8 8 DT H6 H 1 7.19 . . 1 . . . . . . . . 4416 1 62 . 1 1 8 8 DT H71 H 1 1.27 . . 5 . . . . . . . . 4416 1 63 . 1 1 8 8 DT H72 H 1 1.27 . . 5 . . . . . . . . 4416 1 64 . 1 1 8 8 DT H73 H 1 1.27 . . 5 . . . . . . . . 4416 1 65 . 1 1 8 8 DT H1' H 1 5.95 . . 1 . . . . . . . . 4416 1 66 . 1 1 8 8 DT H2' H 1 2.12 . . 1 . . . . . . . . 4416 1 67 . 1 1 8 8 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4416 1 68 . 1 1 8 8 DT H3' H 1 4.87 . . 1 . . . . . . . . 4416 1 69 . 1 1 8 8 DT H4' H 1 4.22 . . 5 . . . . . . . . 4416 1 70 . 1 1 8 8 DT P P 31 -4.36 . . 5 . . . . . . . . 4416 1 71 . 1 1 9 9 DT H3 H 1 13.52 . . 1 . . . . . . . . 4416 1 72 . 1 1 9 9 DT H6 H 1 7.38 . . 1 . . . . . . . . 4416 1 73 . 1 1 9 9 DT H71 H 1 1.61 . . 1 . . . . . . . . 4416 1 74 . 1 1 9 9 DT H72 H 1 1.61 . . 1 . . . . . . . . 4416 1 75 . 1 1 9 9 DT H73 H 1 1.61 . . 1 . . . . . . . . 4416 1 76 . 1 1 9 9 DT H1' H 1 5.79 . . 5 . . . . . . . . 4416 1 77 . 1 1 9 9 DT H2' H 1 2.12 . . 1 . . . . . . . . 4416 1 78 . 1 1 9 9 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4416 1 79 . 1 1 9 9 DT H3' H 1 4.88 . . 5 . . . . . . . . 4416 1 80 . 1 1 9 9 DT H4' H 1 4.22 . . 5 . . . . . . . . 4416 1 81 . 1 1 9 9 DT P P 31 -4.20 . . 1 . . . . . . . . 4416 1 82 . 1 1 10 10 DA H2 H 1 6.78 . . 1 . . . . . . . . 4416 1 83 . 1 1 10 10 DA H8 H 1 8.30 . . 1 . . . . . . . . 4416 1 84 . 1 1 10 10 DA H1' H 1 5.92 . . 1 . . . . . . . . 4416 1 85 . 1 1 10 10 DA H2' H 1 2.78 . . 1 . . . . . . . . 4416 1 86 . 1 1 10 10 DA H2'' H 1 2.94 . . 1 . . . . . . . . 4416 1 87 . 1 1 10 10 DA H3' H 1 4.66 . . 1 . . . . . . . . 4416 1 88 . 1 1 10 10 DA H4' H 1 4.45 . . 1 . . . . . . . . 4416 1 89 . 1 1 10 10 DA P P 31 -4.06 . . 5 . . . . . . . . 4416 1 90 . 1 1 11 11 DA H2 H 1 7.59 . . 1 . . . . . . . . 4416 1 91 . 1 1 11 11 DA H8 H 1 8.08 . . 1 . . . . . . . . 4416 1 92 . 1 1 11 11 DA H1' H 1 6.04 . . 1 . . . . . . . . 4416 1 93 . 1 1 11 11 DA H2' H 1 2.59 . . 5 . . . . . . . . 4416 1 94 . 1 1 11 11 DA H2'' H 1 2.88 . . 1 . . . . . . . . 4416 1 95 . 1 1 11 11 DA H3' H 1 4.64 . . 5 . . . . . . . . 4416 1 96 . 1 1 11 11 DA H4' H 1 4.30 . . 1 . . . . . . . . 4416 1 97 . 1 1 11 11 DA P P 31 -4.02 . . 1 . . . . . . . . 4416 1 98 . 1 1 12 12 DG H8 H 1 7.60 . . 1 . . . . . . . . 4416 1 99 . 1 1 12 12 DG H1' H 1 6.00 . . 1 . . . . . . . . 4416 1 100 . 1 1 12 12 DG H2' H 1 2.39 . . 1 . . . . . . . . 4416 1 101 . 1 1 12 12 DG H2'' H 1 2.26 . . 1 . . . . . . . . 4416 1 102 . 1 1 12 12 DG H3' H 1 4.64 . . 5 . . . . . . . . 4416 1 103 . 1 1 12 12 DG H4' H 1 4.22 . . 5 . . . . . . . . 4416 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4416 _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 _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 $sample_1 . 4416 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 2 1 1 DC H5 H 1 5.94 . . 1 . . . . . . . . 4416 2 2 . 2 2 1 1 DC H6 H 1 7.90 . . 1 . . . . . . . . 4416 2 3 . 2 2 1 1 DC H1' H 1 5.87 . . 1 . . . . . . . . 4416 2 4 . 2 2 1 1 DC H2' H 1 2.62 . . 5 . . . . . . . . 4416 2 5 . 2 2 1 1 DC H2'' H 1 2.32 . . 1 . . . . . . . . 4416 2 6 . 2 2 1 1 DC H3' H 1 4.67 . . 5 . . . . . . . . 4416 2 7 . 2 2 1 1 DC H4' H 1 4.12 . . 5 . . . . . . . . 4416 2 8 . 2 2 1 1 DC P P 31 -4.14 . . 1 . . . . . . . . 4416 2 9 . 2 2 2 2 DT H3 H 1 14.24 . . 1 . . . . . . . . 4416 2 10 . 2 2 2 2 DT H6 H 1 7.68 . . 1 . . . . . . . . 4416 2 11 . 2 2 2 2 DT H71 H 1 1.69 . . 1 . . . . . . . . 4416 2 12 . 2 2 2 2 DT H72 H 1 1.69 . . 1 . . . . . . . . 4416 2 13 . 2 2 2 2 DT H73 H 1 1.69 . . 1 . . . . . . . . 4416 2 14 . 2 2 2 2 DT H1' H 1 6.18 . . 5 . . . . . . . . 4416 2 15 . 2 2 2 2 DT H2' H 1 2.23 . . 1 . . . . . . . . 4416 2 16 . 2 2 2 2 DT H2'' H 1 2.62 . . 5 . . . . . . . . 4416 2 17 . 2 2 2 2 DT H3' H 1 4.92 . . 5 . . . . . . . . 4416 2 18 . 2 2 2 2 DT H4' H 1 4.28 . . 1 . . . . . . . . 4416 2 19 . 2 2 2 2 DT P P 31 -4.32 . . 5 . . . . . . . . 4416 2 20 . 2 2 3 3 DT H3 H 1 13.69 . . 5 . . . . . . . . 4416 2 21 . 2 2 3 3 DT H6 H 1 7.50 . . 5 . . . . . . . . 4416 2 22 . 2 2 3 3 DT H71 H 1 1.71 . . 1 . . . . . . . . 4416 2 23 . 2 2 3 3 DT H72 H 1 1.71 . . 1 . . . . . . . . 4416 2 24 . 2 2 3 3 DT H73 H 1 1.71 . . 1 . . . . . . . . 4416 2 25 . 2 2 3 3 DT H1' H 1 5.72 . . 1 . . . . . . . . 4416 2 26 . 2 2 3 3 DT H2' H 1 2.19 . . 1 . . . . . . . . 4416 2 27 . 2 2 3 3 DT H2'' H 1 2.53 . . 1 . . . . . . . . 4416 2 28 . 2 2 3 3 DT H3' H 1 4.92 . . 5 . . . . . . . . 4416 2 29 . 2 2 3 3 DT H4' H 1 4.21 . . 5 . . . . . . . . 4416 2 30 . 2 2 3 3 DT P P 31 -4.06 . . 5 . . . . . . . . 4416 2 31 . 2 2 4 4 DA H2 H 1 6.63 . . 1 . . . . . . . . 4416 2 32 . 2 2 4 4 DA H8 H 1 8.33 . . 1 . . . . . . . . 4416 2 33 . 2 2 4 4 DA H1' H 1 6.02 . . 1 . . . . . . . . 4416 2 34 . 2 2 4 4 DA H2' H 1 2.74 . . 5 . . . . . . . . 4416 2 35 . 2 2 4 4 DA H2'' H 1 2.98 . . 5 . . . . . . . . 4416 2 36 . 2 2 4 4 DA H3' H 1 4.88 . . 5 . . . . . . . . 4416 2 37 . 2 2 4 4 DA H4' H 1 4.21 . . 5 . . . . . . . . 4416 2 38 . 2 2 4 4 DA P P 31 -4.21 . . 1 . . . . . . . . 4416 2 39 . 2 2 5 5 DA H2 H 1 7.53 . . 1 . . . . . . . . 4416 2 40 . 2 2 5 5 DA H8 H 1 8.21 . . 1 . . . . . . . . 4416 2 41 . 2 2 5 5 DA H1' H 1 6.21 . . 1 . . . . . . . . 4416 2 42 . 2 2 5 5 DA H2' H 1 2.61 . . 1 . . . . . . . . 4416 2 43 . 2 2 5 5 DA H2'' H 1 2.97 . . 5 . . . . . . . . 4416 2 44 . 2 2 5 5 DA H3' H 1 4.53 . . 5 . . . . . . . . 4416 2 45 . 2 2 5 5 DA H4' H 1 4.28 . . 1 . . . . . . . . 4416 2 46 . 2 2 5 5 DA P P 31 -4.29 . . 5 . . . . . . . . 4416 2 47 . 2 2 6 6 DT H3 H 1 13.69 . . 5 . . . . . . . . 4416 2 48 . 2 2 6 6 DT H6 H 1 7.21 . . 1 . . . . . . . . 4416 2 49 . 2 2 6 6 DT H71 H 1 1.27 . . 5 . . . . . . . . 4416 2 50 . 2 2 6 6 DT H72 H 1 1.27 . . 5 . . . . . . . . 4416 2 51 . 2 2 6 6 DT H73 H 1 1.27 . . 5 . . . . . . . . 4416 2 52 . 2 2 6 6 DT H1' H 1 5.96 . . 5 . . . . . . . . 4416 2 53 . 2 2 6 6 DT H2' H 1 2.00 . . 1 . . . . . . . . 4416 2 54 . 2 2 6 6 DT H2'' H 1 2.60 . . 1 . . . . . . . . 4416 2 55 . 2 2 6 6 DT H3' H 1 4.88 . . 5 . . . . . . . . 4416 2 56 . 2 2 6 6 DT H4' H 1 4.24 . . 1 . . . . . . . . 4416 2 57 . 2 2 6 6 DT P P 31 -4.36 . . 1 . . . . . . . . 4416 2 58 . 2 2 7 7 DT H3 H 1 13.84 . . 1 . . . . . . . . 4416 2 59 . 2 2 7 7 DT H6 H 1 7.43 . . 1 . . . . . . . . 4416 2 60 . 2 2 7 7 DT H71 H 1 1.54 . . 1 . . . . . . . . 4416 2 61 . 2 2 7 7 DT H72 H 1 1.54 . . 1 . . . . . . . . 4416 2 62 . 2 2 7 7 DT H73 H 1 1.54 . . 1 . . . . . . . . 4416 2 63 . 2 2 7 7 DT H1' H 1 6.18 . . 5 . . . . . . . . 4416 2 64 . 2 2 7 7 DT H2' H 1 2.22 . . 1 . . . . . . . . 4416 2 65 . 2 2 7 7 DT H2'' H 1 2.53 . . 5 . . . . . . . . 4416 2 66 . 2 2 7 7 DT H3' H 1 4.53 . . 5 . . . . . . . . 4416 2 67 . 2 2 7 7 DT H4' H 1 4.08 . . 1 . . . . . . . . 4416 2 68 . 2 2 7 7 DT P P 31 -4.32 . . 5 . . . . . . . . 4416 2 69 . 2 2 8 8 DC H41 H 1 6.84 . . 1 . . . . . . . . 4416 2 70 . 2 2 8 8 DC H42 H 1 8.33 . . 1 . . . . . . . . 4416 2 71 . 2 2 8 8 DC H5 H 1 5.62 . . 1 . . . . . . . . 4416 2 72 . 2 2 8 8 DC H6 H 1 7.50 . . 5 . . . . . . . . 4416 2 73 . 2 2 8 8 DC H1' H 1 5.71 . . 1 . . . . . . . . 4416 2 74 . 2 2 8 8 DC H2' H 1 2.14 . . 1 . . . . . . . . 4416 2 75 . 2 2 8 8 DC H2'' H 1 2.69 . . 1 . . . . . . . . 4416 2 76 . 2 2 8 8 DC H3' H 1 4.92 . . 5 . . . . . . . . 4416 2 77 . 2 2 8 8 DC H4' H 1 4.22 . . 5 . . . . . . . . 4416 2 78 . 2 2 8 8 DC P P 31 -4.07 . . 1 . . . . . . . . 4416 2 79 . 2 2 9 9 DG H1 H 1 12.64 . . 1 . . . . . . . . 4416 2 80 . 2 2 9 9 DG H8 H 1 7.98 . . 1 . . . . . . . . 4416 2 81 . 2 2 9 9 DG H1' H 1 5.96 . . 1 . . . . . . . . 4416 2 82 . 2 2 9 9 DG H2' H 1 2.48 . . 1 . . . . . . . . 4416 2 83 . 2 2 9 9 DG H2'' H 1 2.80 . . 1 . . . . . . . . 4416 2 84 . 2 2 9 9 DG H3' H 1 4.40 . . 1 . . . . . . . . 4416 2 85 . 2 2 9 9 DG H4' H 1 4.09 . . 1 . . . . . . . . 4416 2 86 . 2 2 9 9 DG P P 31 -4.33 . . 1 . . . . . . . . 4416 2 87 . 2 2 10 10 DT H3 H 1 13.80 . . 1 . . . . . . . . 4416 2 88 . 2 2 10 10 DT H6 H 1 7.22 . . 1 . . . . . . . . 4416 2 89 . 2 2 10 10 DT H71 H 1 1.49 . . 1 . . . . . . . . 4416 2 90 . 2 2 10 10 DT H72 H 1 1.49 . . 1 . . . . . . . . 4416 2 91 . 2 2 10 10 DT H73 H 1 1.49 . . 1 . . . . . . . . 4416 2 92 . 2 2 10 10 DT H1' H 1 5.79 . . 1 . . . . . . . . 4416 2 93 . 2 2 10 10 DT H2' H 1 2.07 . . 1 . . . . . . . . 4416 2 94 . 2 2 10 10 DT H2'' H 1 2.43 . . 1 . . . . . . . . 4416 2 95 . 2 2 10 10 DT H3' H 1 4.89 . . 1 . . . . . . . . 4416 2 96 . 2 2 10 10 DT H4' H 1 4.22 . . 5 . . . . . . . . 4416 2 97 . 2 2 10 10 DT P P 31 -3.80 . . 1 . . . . . . . . 4416 2 98 . 2 2 11 11 DG H1 H 1 12.91 . . 1 . . . . . . . . 4416 2 99 . 2 2 11 11 DG H8 H 1 7.95 . . 1 . . . . . . . . 4416 2 100 . 2 2 11 11 DG H1' H 1 5.97 . . 1 . . . . . . . . 4416 2 101 . 2 2 11 11 DG H2' H 1 2.63 . . 1 . . . . . . . . 4416 2 102 . 2 2 11 11 DG H2'' H 1 2.74 . . 5 . . . . . . . . 4416 2 103 . 2 2 11 11 DG H3' H 1 4.67 . . 5 . . . . . . . . 4416 2 104 . 2 2 11 11 DG H4' H 1 4.13 . . 5 . . . . . . . . 4416 2 105 . 2 2 11 11 DG P P 31 -3.86 . . 1 . . . . . . . . 4416 2 106 . 2 2 12 12 DC H5 H 1 5.45 . . 5 . . . . . . . . 4416 2 107 . 2 2 12 12 DC H6 H 1 7.50 . . 5 . . . . . . . . 4416 2 108 . 2 2 12 12 DC H1' H 1 6.17 . . 1 . . . . . . . . 4416 2 109 . 2 2 12 12 DC H2' H 1 2.82 . . 5 . . . . . . . . 4416 2 110 . 2 2 12 12 DC H2'' H 1 2.47 . . 1 . . . . . . . . 4416 2 111 . 2 2 12 12 DC H3' H 1 4.92 . . 5 . . . . . . . . 4416 2 112 . 2 2 12 12 DC H4' H 1 4.22 . . 5 . . . . . . . . 4416 2 stop_ save_