################################### # 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 51036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $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 2 '2D 1H-1H TOCSY' . . . 51036 1 3 '2D 1H-1H NOESY' . . . 51036 1 4 '2D 1H-13C HSQC aromatic' . . . 51036 1 6 '2D 1H-13C HSQC anomeric' . . . 51036 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 2 $software_2 . . 51036 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 1 1 DC H1' H 1 5.7606 0.0 . 1 . . . . . 1 DC H1' . 51036 1 2 . 1 . 1 1 1 DC H2' H 1 2.0056 0.0 . 2 . . . . . 1 DC H2' . 51036 1 3 . 1 . 1 1 1 DC H2'' H 1 2.4103 0.0 . 2 . . . . . 1 DC H2'' . 51036 1 4 . 1 . 1 1 1 DC H3' H 1 4.6958 0.0 . 1 . . . . . 1 DC H3' . 51036 1 5 . 1 . 1 1 1 DC H6 H 1 7.6281 0.0 . 1 . . . . . 1 DC H6 . 51036 1 6 . 1 . 1 1 1 DC C1' C 13 88.1212 0.0 . 1 . . . . . 1 DC C1' . 51036 1 7 . 1 . 1 1 1 DC C6 C 13 143.3662 0.0 . 1 . . . . . 1 DC C6 . 51036 1 8 . 1 . 1 2 2 DG H1 H 1 12.7777 0.0 . 1 . . . . . 2 DG H1 . 51036 1 9 . 1 . 1 2 2 DG H1' H 1 5.9349 0.0 . 1 . . . . . 2 DG H1' . 51036 1 10 . 1 . 1 2 2 DG H2' H 1 2.6457 0.0 . 2 . . . . . 2 DG H2' . 51036 1 11 . 1 . 1 2 2 DG H2'' H 1 2.7545 0.0 . 2 . . . . . 2 DG H2'' . 51036 1 12 . 1 . 1 2 2 DG H3' H 1 4.9584 0.0 . 1 . . . . . 2 DG H3' . 51036 1 13 . 1 . 1 2 2 DG H8 H 1 7.96 0.0 . 1 . . . . . 2 DG H8 . 51036 1 14 . 1 . 1 2 2 DG C1' C 13 84.5884 0.0 . 1 . . . . . 2 DG C1' . 51036 1 15 . 1 . 1 2 2 DG C8 C 13 138.4925 0.0 . 1 . . . . . 2 DG C8 . 51036 1 16 . 1 . 1 3 3 DT H1' H 1 5.5986 0.0 . 1 . . . . . 3 DT H1' . 51036 1 17 . 1 . 1 3 3 DT H2' H 1 2.036 0.0 . 2 . . . . . 3 DT H2' . 51036 1 18 . 1 . 1 3 3 DT H2'' H 1 2.3812 0.0 . 2 . . . . . 3 DT H2'' . 51036 1 19 . 1 . 1 3 3 DT H3 H 1 13.3191 0.0 . 1 . . . . . 3 DT H3 . 51036 1 20 . 1 . 1 3 3 DT H3' H 1 4.8543 0.0 . 1 . . . . . 3 DT H3' . 51036 1 21 . 1 . 1 3 3 DT H6 H 1 7.2109 0.0 . 1 . . . . . 3 DT H6 . 51036 1 22 . 1 . 1 3 3 DT H71 H 1 1.4807 0.0 . 1 . . . . . 3 DT H71 . 51036 1 23 . 1 . 1 3 3 DT H72 H 1 1.4807 0.0 . 1 . . . . . 3 DT H72 . 51036 1 24 . 1 . 1 3 3 DT H73 H 1 1.4807 0.0 . 1 . . . . . 3 DT H73 . 51036 1 25 . 1 . 1 3 3 DT C1' C 13 85.3041 0.0 . 1 . . . . . 3 DT C1' . 51036 1 26 . 1 . 1 3 3 DT C6 C 13 138.5954 0.0 . 1 . . . . . 3 DT C6 . 51036 1 27 . 1 . 1 4 4 DA H1' H 1 5.9611 0.0 . 1 . . . . . 4 DA H1' . 51036 1 28 . 1 . 1 4 4 DA H2 H 1 6.868 0.0 . 1 . . . . . 4 DA H2 . 51036 1 29 . 1 . 1 4 4 DA H2'' H 1 2.7361 0.0 . 2 . . . . . 4 DA H2'' . 51036 1 30 . 1 . 1 4 4 DA H3' H 1 5.042 0.0 . 1 . . . . . 4 DA H3' . 51036 1 31 . 1 . 1 4 4 DA H8 H 1 8.2383 0.0 . 1 . . . . . 4 DA H8 . 51036 1 32 . 1 . 1 4 4 DA C1' C 13 84.5828 0.0 . 1 . . . . . 4 DA C1' . 51036 1 33 . 1 . 1 4 4 DA C8 C 13 141.9072 0.0 . 1 . . . . . 4 DA C8 . 51036 1 34 . 1 . 1 5 5 DA H1' H 1 6.1072 0.0 . 1 . . . . . 5 DA H1' . 51036 1 35 . 1 . 1 5 5 DA H2 H 1 7.5191 0.0 . 1 . . . . . 5 DA H2 . 51036 1 36 . 1 . 1 5 5 DA H2' H 1 2.5137 0.0 . 2 . . . . . 5 DA H2' . 51036 1 37 . 1 . 1 5 5 DA H2'' H 1 2.8774 0.0 . 2 . . . . . 5 DA H2'' . 51036 1 38 . 1 . 1 5 5 DA H3' H 1 4.9714 0.0 . 1 . . . . . 5 DA H3' . 51036 1 39 . 1 . 1 5 5 DA H8 H 1 8.1126 0.0 . 1 . . . . . 5 DA H8 . 51036 1 40 . 1 . 1 5 5 DA C1' C 13 84.6787 0.0 . 1 . . . . . 5 DA C1' . 51036 1 41 . 1 . 1 5 5 DA C8 C 13 141.1095 0.0 . 1 . . . . . 5 DA C8 . 51036 1 42 . 1 . 1 6 6 DT H1' H 1 5.6798 0.0 . 1 . . . . . 6 DT H1' . 51036 1 43 . 1 . 1 6 6 DT H2' H 1 2.0043 0.0 . 2 . . . . . 6 DT H2' . 51036 1 44 . 1 . 1 6 6 DT H2'' H 1 2.3953 0.0 . 2 . . . . . 6 DT H2'' . 51036 1 45 . 1 . 1 6 6 DT H3 H 1 13.2002 0.0 . 1 . . . . . 6 DT H3 . 51036 1 46 . 1 . 1 6 6 DT H3' H 1 4.8114 0.0 . 1 . . . . . 6 DT H3' . 51036 1 47 . 1 . 1 6 6 DT H6 H 1 6.9677 0.0 . 1 . . . . . 6 DT H6 . 51036 1 48 . 1 . 1 6 6 DT H71 H 1 1.3044 0.0 . 1 . . . . . 6 DT H71 . 51036 1 49 . 1 . 1 6 6 DT H72 H 1 1.3044 0.0 . 1 . . . . . 6 DT H72 . 51036 1 50 . 1 . 1 6 6 DT H73 H 1 1.3044 0.0 . 1 . . . . . 6 DT H73 . 51036 1 51 . 1 . 1 6 6 DT C1' C 13 85.4206 0.0 . 1 . . . . . 6 DT C1' . 51036 1 52 . 1 . 1 6 6 DT C6 C 13 137.9395 0.0 . 1 . . . . . 6 DT C6 . 51036 1 53 . 1 . 1 7 7 DG H1 H 1 12.2263 0.0 . 1 . . . . . 7 DG H1 . 51036 1 54 . 1 . 1 7 7 DG H1' H 1 5.8614 0.0 . 1 . . . . . 7 DG H1' . 51036 1 55 . 1 . 1 7 7 DG H2' H 1 2.4956 0.0 . 2 . . . . . 7 DG H2' . 51036 1 56 . 1 . 1 7 7 DG H2'' H 1 2.6987 0.0 . 2 . . . . . 7 DG H2'' . 51036 1 57 . 1 . 1 7 7 DG H3' H 1 4.8627 0.0 . 1 . . . . . 7 DG H3' . 51036 1 58 . 1 . 1 7 7 DG H8 H 1 7.6696 0.0 . 1 . . . . . 7 DG H8 . 51036 1 59 . 1 . 1 7 7 DG C1' C 13 84.7468 0.0 . 1 . . . . . 7 DG C1' . 51036 1 60 . 1 . 1 7 7 DG C8 C 13 138.1795 0.0 . 1 . . . . . 7 DG C8 . 51036 1 61 . 1 . 1 8 8 DT H1' H 1 5.7228 0.0 . 1 . . . . . 8 DT H1' . 51036 1 62 . 1 . 1 8 8 DT H2' H 1 2.111 0.0 . 2 . . . . . 8 DT H2' . 51036 1 63 . 1 . 1 8 8 DT H2'' H 1 2.491 0.0 . 2 . . . . . 8 DT H2'' . 51036 1 64 . 1 . 1 8 8 DT H3 H 1 13.2434 0.0 . 1 . . . . . 8 DT H3 . 51036 1 65 . 1 . 1 8 8 DT H3' H 1 4.8448 0.0 . 1 . . . . . 8 DT H3' . 51036 1 66 . 1 . 1 8 8 DT H6 H 1 7.1611 0.0 . 1 . . . . . 8 DT H6 . 51036 1 67 . 1 . 1 8 8 DT H71 H 1 1.29 0.0 . 1 . . . . . 8 DT H71 . 51036 1 68 . 1 . 1 8 8 DT H72 H 1 1.29 0.0 . 1 . . . . . 8 DT H72 . 51036 1 69 . 1 . 1 8 8 DT H73 H 1 1.29 0.0 . 1 . . . . . 8 DT H73 . 51036 1 70 . 1 . 1 8 8 DT C1' C 13 85.3587 0.0 . 1 . . . . . 8 DT C1' . 51036 1 71 . 1 . 1 8 8 DT C6 C 13 138.5472 0.0 . 1 . . . . . 8 DT C6 . 51036 1 72 . 1 . 1 9 9 DA H1' H 1 6.1969 0.0 . 1 . . . . . 9 DA H1' . 51036 1 73 . 1 . 1 9 9 DA H2 H 1 7.2638 0.0 . 1 . . . . . 9 DA H2 . 51036 1 74 . 1 . 1 9 9 DA H2' H 1 2.606 0.0 . 2 . . . . . 9 DA H2' . 51036 1 75 . 1 . 1 9 9 DA H2'' H 1 2.891 0.0 . 2 . . . . . 9 DA H2'' . 51036 1 76 . 1 . 1 9 9 DA H3' H 1 4.9782 0.0 . 1 . . . . . 9 DA H3' . 51036 1 77 . 1 . 1 9 9 DA H8 H 1 8.2407 0.0 . 1 . . . . . 9 DA H8 . 51036 1 78 . 1 . 1 9 9 DA C1' C 13 85.0688 0.0 . 1 . . . . . 9 DA C1' . 51036 1 79 . 1 . 1 9 9 DA C8 C 13 141.8193 0.0 . 1 . . . . . 9 DA C8 . 51036 1 80 . 1 . 1 10 10 DT H1' H 1 5.7085 0.0 . 1 . . . . . 10 DT H1' . 51036 1 81 . 1 . 1 10 10 DT H2' H 1 1.9715 0.0 . 2 . . . . . 10 DT H2' . 51036 1 82 . 1 . 1 10 10 DT H2'' H 1 2.3879 0.0 . 2 . . . . . 10 DT H2'' . 51036 1 83 . 1 . 1 10 10 DT H3 H 1 13.3299 0.0 . 1 . . . . . 10 DT H3 . 51036 1 84 . 1 . 1 10 10 DT H3' H 1 4.8274 0.0 . 1 . . . . . 10 DT H3' . 51036 1 85 . 1 . 1 10 10 DT H6 H 1 7.0449 0.0 . 1 . . . . . 10 DT H6 . 51036 1 86 . 1 . 1 10 10 DT H71 H 1 1.3353 0.0 . 1 . . . . . 10 DT H71 . 51036 1 87 . 1 . 1 10 10 DT H72 H 1 1.3353 0.0 . 1 . . . . . 10 DT H72 . 51036 1 88 . 1 . 1 10 10 DT H73 H 1 1.3353 0.0 . 1 . . . . . 10 DT H73 . 51036 1 89 . 1 . 1 10 10 DT C1' C 13 84.9307 0.0 . 1 . . . . . 10 DT C1' . 51036 1 90 . 1 . 1 10 10 DT C6 C 13 138.1865 0.0 . 1 . . . . . 10 DT C6 . 51036 1 91 . 1 . 1 11 11 DG H1 H 1 12.4564 0.0 . 1 . . . . . 11 DG H1 . 51036 1 92 . 1 . 1 11 11 DG H1' H 1 5.7986 0.0 . 1 . . . . . 11 DG H1' . 51036 1 93 . 1 . 1 11 11 DG H2'' H 1 2.6073 0.0 . 2 . . . . . 11 DG H2'' . 51036 1 94 . 1 . 1 11 11 DG H3' H 1 4.9313 0.0 . 1 . . . . . 11 DG H3' . 51036 1 95 . 1 . 1 11 11 DG H8 H 1 7.774 0.0 . 1 . . . . . 11 DG H8 . 51036 1 96 . 1 . 1 11 11 DG C1' C 13 84.3091 0.0 . 1 . . . . . 11 DG C1' . 51036 1 97 . 1 . 1 11 11 DG C8 C 13 138.1271 0.0 . 1 . . . . . 11 DG C8 . 51036 1 98 . 1 . 1 12 12 DC H1' H 1 5.8444 0.0 . 1 . . . . . 12 DC H1' . 51036 1 99 . 1 . 1 12 12 DC H3' H 1 4.6995 0.0 . 1 . . . . . 12 DC H3' . 51036 1 100 . 1 . 1 12 12 DC H5 H 1 5.2126 0.0 . 1 . . . . . 12 DC H5 . 51036 1 101 . 1 . 1 12 12 DC H6 H 1 7.3468 0.0 . 1 . . . . . 12 DC H6 . 51036 1 102 . 1 . 1 12 12 DC C1' C 13 86.8926 0.0 . 1 . . . . . 12 DC C1' . 51036 1 103 . 1 . 1 12 12 DC C6 C 13 139.8771 0.0 . 1 . . . . . 12 DC C6 . 51036 1 104 . 1 . 1 13 13 DT H1' H 1 5.6344 0.0 . 1 . . . . . 13 DT H1' . 51036 1 105 . 1 . 1 13 13 DT H3 H 1 13.6329 0.0 . 1 . . . . . 13 DT H3 . 51036 1 106 . 1 . 1 13 13 DT H3' H 1 4.8507 0.0 . 1 . . . . . 13 DT H3' . 51036 1 107 . 1 . 1 13 13 DT H6 H 1 7.3669 0.0 . 1 . . . . . 13 DT H6 . 51036 1 108 . 1 . 1 13 13 DT H71 H 1 1.6081 0.0 . 1 . . . . . 13 DT H71 . 51036 1 109 . 1 . 1 13 13 DT H72 H 1 1.6081 0.0 . 1 . . . . . 13 DT H72 . 51036 1 110 . 1 . 1 13 13 DT H73 H 1 1.6081 0.0 . 1 . . . . . 13 DT H73 . 51036 1 111 . 1 . 1 13 13 DT C1' C 13 85.6487 0.0 . 1 . . . . . 13 DT C1' . 51036 1 112 . 1 . 1 13 13 DT C6 C 13 139.6194 0.0 . 1 . . . . . 13 DT C6 . 51036 1 113 . 1 . 1 14 14 DA H1' H 1 6.1896 0.0 . 1 . . . . . 14 DA H1' . 51036 1 114 . 1 . 1 14 14 DA H2 H 1 7.5023 0.0 . 1 . . . . . 14 DA H2 . 51036 1 115 . 1 . 1 14 14 DA H2'' H 1 2.847 0.0 . 2 . . . . . 14 DA H2'' . 51036 1 116 . 1 . 1 14 14 DA H3' H 1 5.0155 0.0 . 1 . . . . . 14 DA H3' . 51036 1 117 . 1 . 1 14 14 DA H8 H 1 8.2899 0.0 . 1 . . . . . 14 DA H8 . 51036 1 118 . 1 . 1 14 14 DA C1' C 13 84.9813 0.0 . 1 . . . . . 14 DA C1' . 51036 1 119 . 1 . 1 14 14 DA C8 C 13 141.7378 0.0 . 1 . . . . . 14 DA C8 . 51036 1 120 . 1 . 1 15 15 DC H1' H 1 5.9006 0.0 . 1 . . . . . 15 DC H1' . 51036 1 121 . 1 . 1 15 15 DC H3' H 1 4.7577 0.0 . 1 . . . . . 15 DC H3' . 51036 1 122 . 1 . 1 15 15 DC H6 H 1 7.3358 0.0 . 1 . . . . . 15 DC H6 . 51036 1 123 . 1 . 1 15 15 DC C1' C 13 86.2346 0.0 . 1 . . . . . 15 DC C1' . 51036 1 124 . 1 . 1 15 15 DC C6 C 13 142.3829 0.0 . 1 . . . . . 15 DC C6 . 51036 1 125 . 1 . 1 16 16 DC H1' H 1 6.1972 0.0 . 1 . . . . . 16 DC H1' . 51036 1 126 . 1 . 1 16 16 DC H3' H 1 4.5244 0.0 . 1 . . . . . 16 DC H3' . 51036 1 127 . 1 . 1 16 16 DC H6 H 1 7.6174 0.0 . 1 . . . . . 16 DC H6 . 51036 1 128 . 1 . 1 16 16 DC C1' C 13 87.1783 0.0 . 1 . . . . . 16 DC C1' . 51036 1 129 . 1 . 1 16 16 DC C6 C 13 144.0952 0.0 . 1 . . . . . 16 DC C6 . 51036 1 130 . 2 . 2 1 1 DG H1' H 1 5.6804 0.0 . 1 . . . . . 1 DG H1' . 51036 1 131 . 2 . 2 1 1 DG H2' H 1 2.5402 0.0 . 2 . . . . . 1 DG H2' . 51036 1 132 . 2 . 2 1 1 DG H2'' H 1 2.665 0.0 . 2 . . . . . 1 DG H2'' . 51036 1 133 . 2 . 2 1 1 DG H3' H 1 4.7973 0.0 . 1 . . . . . 1 DG H3' . 51036 1 134 . 2 . 2 1 1 DG H8 H 1 7.8571 0.0 . 1 . . . . . 1 DG H8 . 51036 1 135 . 2 . 2 1 1 DG C1' C 13 84.8621 0.0 . 1 . . . . . 1 DG C1' . 51036 1 136 . 2 . 2 1 1 DG C8 C 13 139.0218 0.0 . 1 . . . . . 1 DG C8 . 51036 1 137 . 2 . 2 2 2 DG H1' H 1 5.9915 0.0 . 1 . . . . . 2 DG H1' . 51036 1 138 . 2 . 2 2 2 DG H2' H 1 2.635 0.0 . 2 . . . . . 2 DG H2' . 51036 1 139 . 2 . 2 2 2 DG H2'' H 1 2.7309 0.0 . 2 . . . . . 2 DG H2'' . 51036 1 140 . 2 . 2 2 2 DG H3' H 1 4.9553 0.0 . 1 . . . . . 2 DG H3' . 51036 1 141 . 2 . 2 2 2 DG H8 H 1 7.827 0.0 . 1 . . . . . 2 DG H8 . 51036 1 142 . 2 . 2 2 2 DG C1' C 13 84.8653 0.0 . 1 . . . . . 2 DG C1' . 51036 1 143 . 2 . 2 2 2 DG C8 C 13 138.1045 0.0 . 1 . . . . . 2 DG C8 . 51036 1 144 . 2 . 2 3 3 DT H1' H 1 5.6213 0.0 . 1 . . . . . 3 DT H1' . 51036 1 145 . 2 . 2 3 3 DT H2' H 1 2.0971 0.0 . 2 . . . . . 3 DT H2' . 51036 1 146 . 2 . 2 3 3 DT H2'' H 1 2.4049 0.0 . 2 . . . . . 3 DT H2'' . 51036 1 147 . 2 . 2 3 3 DT H3 H 1 13.4855 0.0 . 1 . . . . . 3 DT H3 . 51036 1 148 . 2 . 2 3 3 DT H3' H 1 4.858 0.0 . 1 . . . . . 3 DT H3' . 51036 1 149 . 2 . 2 3 3 DT H6 H 1 7.249 0.0 . 1 . . . . . 3 DT H6 . 51036 1 150 . 2 . 2 3 3 DT H71 H 1 1.421 0.0 . 1 . . . . . 3 DT H71 . 51036 1 151 . 2 . 2 3 3 DT H72 H 1 1.421 0.0 . 1 . . . . . 3 DT H72 . 51036 1 152 . 2 . 2 3 3 DT H73 H 1 1.421 0.0 . 1 . . . . . 3 DT H73 . 51036 1 153 . 2 . 2 3 3 DT C1' C 13 85.427 0.0 . 1 . . . . . 3 DT C1' . 51036 1 154 . 2 . 2 3 3 DT C6 C 13 138.685 0.0 . 1 . . . . . 3 DT C6 . 51036 1 155 . 2 . 2 4 4 DA H1' H 1 6.0499 0.0 . 1 . . . . . 4 DA H1' . 51036 1 156 . 2 . 2 4 4 DA H2 H 1 7.3649 0.0 . 1 . . . . . 4 DA H2 . 51036 1 157 . 2 . 2 4 4 DA H2' H 1 2.7004 0.0 . 2 . . . . . 4 DA H2' . 51036 1 158 . 2 . 2 4 4 DA H2'' H 1 2.8818 0.0 . 2 . . . . . 4 DA H2'' . 51036 1 159 . 2 . 2 4 4 DA H3' H 1 5.0426 0.0 . 1 . . . . . 4 DA H3' . 51036 1 160 . 2 . 2 4 4 DA H8 H 1 8.1582 0.0 . 1 . . . . . 4 DA H8 . 51036 1 161 . 2 . 2 4 4 DA C1' C 13 84.8478 0.0 . 1 . . . . . 4 DA C1' . 51036 1 162 . 2 . 2 4 4 DA C8 C 13 141.7879 0.0 . 1 . . . . . 4 DA C8 . 51036 1 163 . 2 . 2 5 5 DG H1 H 1 12.6922 0.0 . 1 . . . . . 5 DG H1 . 51036 1 164 . 2 . 2 5 5 DG H1' H 1 5.6605 0.0 . 1 . . . . . 5 DG H1' . 51036 1 165 . 2 . 2 5 5 DG H2' H 1 2.4447 0.0 . 2 . . . . . 5 DG H2' . 51036 1 166 . 2 . 2 5 5 DG H2'' H 1 2.5937 0.0 . 2 . . . . . 5 DG H2'' . 51036 1 167 . 2 . 2 5 5 DG H3' H 1 4.9271 0.0 . 1 . . . . . 5 DG H3' . 51036 1 168 . 2 . 2 5 5 DG H8 H 1 7.6059 0.0 . 1 . . . . . 5 DG H8 . 51036 1 169 . 2 . 2 5 5 DG C1' C 13 83.86 0.0 . 1 . . . . . 5 DG C1' . 51036 1 170 . 2 . 2 5 5 DG C8 C 13 137.205 0.0 . 1 . . . . . 5 DG C8 . 51036 1 171 . 2 . 2 6 6 DC H1' H 1 5.5746 0.0 . 1 . . . . . 6 DC H1' . 51036 1 172 . 2 . 2 6 6 DC H2' H 1 1.9723 0.0 . 2 . . . . . 6 DC H2' . 51036 1 173 . 2 . 2 6 6 DC H2'' H 1 2.3564 0.0 . 2 . . . . . 6 DC H2'' . 51036 1 174 . 2 . 2 6 6 DC H3' H 1 4.7718 0.0 . 1 . . . . . 6 DC H3' . 51036 1 175 . 2 . 2 6 6 DC H5 H 1 5.2069 0.0 . 1 . . . . . 6 DC H5 . 51036 1 176 . 2 . 2 6 6 DC H6 H 1 7.2272 0.0 . 1 . . . . . 6 DC H6 . 51036 1 177 . 2 . 2 6 6 DC C1' C 13 86.3697 0.0 . 1 . . . . . 6 DC C1' . 51036 1 178 . 2 . 2 6 6 DC C6 C 13 142.2478 0.0 . 1 . . . . . 6 DC C6 . 51036 1 179 . 2 . 2 7 7 DA H1' H 1 6.1633 0.0 . 1 . . . . . 7 DA H1' . 51036 1 180 . 2 . 2 7 7 DA H2 H 1 7.4982 0.0 . 1 . . . . . 7 DA H2 . 51036 1 181 . 2 . 2 7 7 DA H2' H 1 2.5916 0.0 . 2 . . . . . 7 DA H2' . 51036 1 182 . 2 . 2 7 7 DA H2'' H 1 2.8684 0.0 . 2 . . . . . 7 DA H2'' . 51036 1 183 . 2 . 2 7 7 DA H3' H 1 4.9539 0.0 . 1 . . . . . 7 DA H3' . 51036 1 184 . 2 . 2 7 7 DA H8 H 1 8.2041 0.0 . 1 . . . . . 7 DA H8 . 51036 1 185 . 2 . 2 7 7 DA C1' C 13 85.2534 0.0 . 1 . . . . . 7 DA C1' . 51036 1 186 . 2 . 2 7 7 DA C8 C 13 141.594 0.0 . 1 . . . . . 7 DA C8 . 51036 1 187 . 2 . 2 8 8 DT H1' H 1 5.5858 0.0 . 1 . . . . . 8 DT H1' . 51036 1 188 . 2 . 2 8 8 DT H2' H 1 1.9516 0.0 . 2 . . . . . 8 DT H2' . 51036 1 189 . 2 . 2 8 8 DT H2'' H 1 2.3528 0.0 . 2 . . . . . 8 DT H2'' . 51036 1 190 . 2 . 2 8 8 DT H3 H 1 13.2062 0.0 . 1 . . . . . 8 DT H3 . 51036 1 191 . 2 . 2 8 8 DT H3' H 1 4.8198 0.0 . 1 . . . . . 8 DT H3' . 51036 1 192 . 2 . 2 8 8 DT H6 H 1 7.0919 0.0 . 1 . . . . . 8 DT H6 . 51036 1 193 . 2 . 2 8 8 DT H71 H 1 1.384 0.0 . 1 . . . . . 8 DT H71 . 51036 1 194 . 2 . 2 8 8 DT H72 H 1 1.384 0.0 . 1 . . . . . 8 DT H72 . 51036 1 195 . 2 . 2 8 8 DT H73 H 1 1.384 0.0 . 1 . . . . . 8 DT H73 . 51036 1 196 . 2 . 2 8 8 DT C1' C 13 84.8236 0.0 . 1 . . . . . 8 DT C1' . 51036 1 197 . 2 . 2 8 8 DT C6 C 13 138.3444 0.0 . 1 . . . . . 8 DT C6 . 51036 1 198 . 2 . 2 9 9 DA H1' H 1 6.1191 0.0 . 1 . . . . . 9 DA H1' . 51036 1 199 . 2 . 2 9 9 DA H2 H 1 7.1998 0.0 . 1 . . . . . 9 DA H2 . 51036 1 200 . 2 . 2 9 9 DA H2' H 1 2.6091 0.0 . 2 . . . . . 9 DA H2' . 51036 1 201 . 2 . 2 9 9 DA H2'' H 1 2.8249 0.0 . 2 . . . . . 9 DA H2'' . 51036 1 202 . 2 . 2 9 9 DA H3' H 1 4.9865 0.0 . 1 . . . . . 9 DA H3' . 51036 1 203 . 2 . 2 9 9 DA H8 H 1 8.1651 0.0 . 1 . . . . . 9 DA H8 . 51036 1 204 . 2 . 2 9 9 DA C1' C 13 84.886 0.0 . 1 . . . . . 9 DA C1' . 51036 1 205 . 2 . 2 9 9 DA C8 C 13 141.6864 0.0 . 1 . . . . . 9 DA C8 . 51036 1 206 . 2 . 2 10 10 DC H1' H 1 5.5024 0.0 . 1 . . . . . 10 DC H1' . 51036 1 207 . 2 . 2 10 10 DC H2' H 1 1.9902 0.0 . 2 . . . . . 10 DC H2' . 51036 1 208 . 2 . 2 10 10 DC H2'' H 1 2.3649 0.0 . 2 . . . . . 10 DC H2'' . 51036 1 209 . 2 . 2 10 10 DC H3' H 1 4.7685 0.0 . 1 . . . . . 10 DC H3' . 51036 1 210 . 2 . 2 10 10 DC H5 H 1 5.2344 0.0 . 1 . . . . . 10 DC H5 . 51036 1 211 . 2 . 2 10 10 DC H6 H 1 7.2315 0.0 . 1 . . . . . 10 DC H6 . 51036 1 212 . 2 . 2 10 10 DC C1' C 13 85.9053 0.0 . 1 . . . . . 10 DC C1' . 51036 1 213 . 2 . 2 10 10 DC C6 C 13 142.2463 0.0 . 1 . . . . . 10 DC C6 . 51036 1 214 . 2 . 2 11 11 DA H1' H 1 6.1703 0.0 . 1 . . . . . 11 DA H1' . 51036 1 215 . 2 . 2 11 11 DA H2 H 1 7.4073 0.0 . 1 . . . . . 11 DA H2 . 51036 1 216 . 2 . 2 11 11 DA H2' H 1 2.6405 0.0 . 2 . . . . . 11 DA H2' . 51036 1 217 . 2 . 2 11 11 DA H2'' H 1 2.8896 0.0 . 2 . . . . . 11 DA H2'' . 51036 1 218 . 2 . 2 11 11 DA H3' H 1 4.9715 0.0 . 1 . . . . . 11 DA H3' . 51036 1 219 . 2 . 2 11 11 DA H8 H 1 8.1557 0.0 . 1 . . . . . 11 DA H8 . 51036 1 220 . 2 . 2 11 11 DA C1' C 13 85.2965 0.0 . 1 . . . . . 11 DA C1' . 51036 1 221 . 2 . 2 11 11 DA C8 C 13 141.7886 0.0 . 1 . . . . . 11 DA C8 . 51036 1 222 . 2 . 2 12 12 DT H1' H 1 5.9114 0.0 . 1 . . . . . 12 DT H1' . 51036 1 223 . 2 . 2 12 12 DT H2' H 1 1.9767 0.0 . 2 . . . . . 12 DT H2' . 51036 1 224 . 2 . 2 12 12 DT H3 H 1 13.6424 0.0 . 1 . . . . . 12 DT H3 . 51036 1 225 . 2 . 2 12 12 DT H3' H 1 4.8453 0.0 . 1 . . . . . 12 DT H3' . 51036 1 226 . 2 . 2 12 12 DT H6 H 1 7.1585 0.0 . 1 . . . . . 12 DT H6 . 51036 1 227 . 2 . 2 12 12 DT H71 H 1 1.2884 0.0 . 1 . . . . . 12 DT H71 . 51036 1 228 . 2 . 2 12 12 DT H72 H 1 1.2884 0.0 . 1 . . . . . 12 DT H72 . 51036 1 229 . 2 . 2 12 12 DT H73 H 1 1.2884 0.0 . 1 . . . . . 12 DT H73 . 51036 1 230 . 2 . 2 12 12 DT C1' C 13 85.1397 0.0 . 1 . . . . . 12 DT C1' . 51036 1 231 . 2 . 2 12 12 DT C6 C 13 138.4227 0.0 . 1 . . . . . 12 DT C6 . 51036 1 232 . 2 . 2 13 13 DT H1' H 1 5.7406 0.0 . 1 . . . . . 13 DT H1' . 51036 1 233 . 2 . 2 13 13 DT H3 H 1 13.5176 0.0 . 1 . . . . . 13 DT H3 . 51036 1 234 . 2 . 2 13 13 DT H3' H 1 4.8814 0.0 . 1 . . . . . 13 DT H3' . 51036 1 235 . 2 . 2 13 13 DT H6 H 1 7.3405 0.0 . 1 . . . . . 13 DT H6 . 51036 1 236 . 2 . 2 13 13 DT H71 H 1 1.6113 0.0 . 1 . . . . . 13 DT H71 . 51036 1 237 . 2 . 2 13 13 DT H72 H 1 1.6113 0.0 . 1 . . . . . 13 DT H72 . 51036 1 238 . 2 . 2 13 13 DT H73 H 1 1.6113 0.0 . 1 . . . . . 13 DT H73 . 51036 1 239 . 2 . 2 13 13 DT C1' C 13 85.2021 0.0 . 1 . . . . . 13 DT C1' . 51036 1 240 . 2 . 2 14 14 DA H1' H 1 6.1536 0.0 . 1 . . . . . 14 DA H1' . 51036 1 241 . 2 . 2 14 14 DA H3' H 1 5.0149 0.0 . 1 . . . . . 14 DA H3' . 51036 1 242 . 2 . 2 14 14 DA H8 H 1 8.2868 0.0 . 1 . . . . . 14 DA H8 . 51036 1 243 . 2 . 2 14 14 DA C1' C 13 84.9574 0.0 . 1 . . . . . 14 DA C1' . 51036 1 244 . 2 . 2 14 14 DA C8 C 13 141.8863 0.0 . 1 . . . . . 14 DA C8 . 51036 1 245 . 2 . 2 15 15 DC H1' H 1 5.6213 0.0 . 1 . . . . . 15 DC H1' . 51036 1 246 . 2 . 2 15 15 DC H2' H 1 1.8354 0.0 . 2 . . . . . 15 DC H2' . 51036 1 247 . 2 . 2 15 15 DC H2'' H 1 2.2617 0.0 . 2 . . . . . 15 DC H2'' . 51036 1 248 . 2 . 2 15 15 DC H3' H 1 4.7804 0.0 . 1 . . . . . 15 DC H3' . 51036 1 249 . 2 . 2 15 15 DC H6 H 1 7.2562 0.0 . 1 . . . . . 15 DC H6 . 51036 1 250 . 2 . 2 15 15 DC C1' C 13 86.118 0.0 . 1 . . . . . 15 DC C1' . 51036 1 251 . 2 . 2 15 15 DC C6 C 13 142.4926 0.0 . 1 . . . . . 15 DC C6 . 51036 1 252 . 2 . 2 16 16 DG H1' H 1 6.1174 0.0 . 1 . . . . . 16 DG H1' . 51036 1 253 . 2 . 2 16 16 DG H2' H 1 2.331 0.0 . 2 . . . . . 16 DG H2' . 51036 1 254 . 2 . 2 16 16 DG H2'' H 1 2.5646 0.0 . 2 . . . . . 16 DG H2'' . 51036 1 255 . 2 . 2 16 16 DG H3' H 1 4.6443 0.0 . 1 . . . . . 16 DG H3' . 51036 1 256 . 2 . 2 16 16 DG H8 H 1 7.8797 0.0 . 1 . . . . . 16 DG H8 . 51036 1 257 . 2 . 2 16 16 DG C1' C 13 84.8875 0.0 . 1 . . . . . 16 DG C1' . 51036 1 258 . 2 . 2 16 16 DG C8 C 13 139.2873 0.0 . 1 . . . . . 16 DG C8 . 51036 1 stop_ save_