################################### # 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 34565 _Assigned_chem_shift_list.ID 1 _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' . . . 34565 1 2 '2D 1H-1H NOESY' . . . 34565 1 3 '2D 1H-13C HSQC aromatic' . . . 34565 1 4 '2D 1H-13C HSQC aliphatic' . . . 34565 1 5 '2D 1H-1H TOCSY' . . . 34565 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 DA H1' H 1 5.96650 0.00255 . . . . . . A 1 DA H1' . 34565 1 2 . 1 . 1 1 1 DA H2 H 1 7.26600 0 . . . . . . A 1 DA H2 . 34565 1 3 . 1 . 1 1 1 DA H2' H 1 1.85857 0.00444 . . . . . . A 1 DA H2' . 34565 1 4 . 1 . 1 1 1 DA H2'' H 1 2.41857 0.00529 . . . . . . A 1 DA H2'' . 34565 1 5 . 1 . 1 1 1 DA H3' H 1 4.56200 0 . . . . . . A 1 DA H3' . 34565 1 6 . 1 . 1 1 1 DA H4' H 1 3.72914 0.00210 . . . . . . A 1 DA H4' . 34565 1 7 . 1 . 1 1 1 DA H5' H 1 2.86412 0.00989 . . . . . . A 1 DA H5' . 34565 1 8 . 1 . 1 1 1 DA H5'' H 1 3.23650 0.00497 . . . . . . A 1 DA H5'' . 34565 1 9 . 1 . 1 1 1 DA H8 H 1 7.82685 0.00199 . . . . . . A 1 DA H8 . 34565 1 10 . 1 . 1 1 1 DA C1' C 13 84.76900 0 . . . . . . A 1 DA C1' . 34565 1 11 . 1 . 1 1 1 DA C2 C 13 150.82200 0 . . . . . . A 1 DA C2 . 34565 1 12 . 1 . 1 1 1 DA C2' C 13 40.06900 0 . . . . . . A 1 DA C2' . 34565 1 13 . 1 . 1 1 1 DA C4' C 13 85.47300 0 . . . . . . A 1 DA C4' . 34565 1 14 . 1 . 1 1 1 DA C5' C 13 60.94400 0 . . . . . . A 1 DA C5' . 34565 1 15 . 1 . 1 1 1 DA C8 C 13 138.33800 0 . . . . . . A 1 DA C8 . 34565 1 16 . 1 . 1 2 2 DG H1 H 1 11.20457 0.00405 . . . . . . A 2 DG H1 . 34565 1 17 . 1 . 1 2 2 DG H1' H 1 5.95709 0.00223 . . . . . . A 2 DG H1' . 34565 1 18 . 1 . 1 2 2 DG H2' H 1 2.85400 0.00273 . . . . . . A 2 DG H2' . 34565 1 19 . 1 . 1 2 2 DG H2'' H 1 3.54740 0.00338 . . . . . . A 2 DG H2'' . 34565 1 20 . 1 . 1 2 2 DG H3' H 1 4.79600 0.00141 . . . . . . A 2 DG H3' . 34565 1 21 . 1 . 1 2 2 DG H4' H 1 4.33233 0.00499 . . . . . . A 2 DG H4' . 34565 1 22 . 1 . 1 2 2 DG H5' H 1 4.12450 5.00000e-04 . . . . . . A 2 DG H5' . 34565 1 23 . 1 . 1 2 2 DG H5'' H 1 4.20320 0.00426 . . . . . . A 2 DG H5'' . 34565 1 24 . 1 . 1 2 2 DG H8 H 1 7.28153 0.00393 . . . . . . A 2 DG H8 . 34565 1 25 . 1 . 1 2 2 DG H21 H 1 8.91267 0.00850 . . . . . . A 2 DG H21 . 34565 1 26 . 1 . 1 2 2 DG C1' C 13 86.65000 0 . . . . . . A 2 DG C1' . 34565 1 27 . 1 . 1 2 2 DG C4' C 13 85.07000 0 . . . . . . A 2 DG C4' . 34565 1 28 . 1 . 1 2 2 DG C8 C 13 139.08300 0 . . . . . . A 2 DG C8 . 34565 1 29 . 1 . 1 3 3 DG H1 H 1 11.74925 0.00373 . . . . . . A 3 DG H1 . 34565 1 30 . 1 . 1 3 3 DG H1' H 1 5.72125 0.00323 . . . . . . A 3 DG H1' . 34565 1 31 . 1 . 1 3 3 DG H2' H 1 2.51800 0.00524 . . . . . . A 3 DG H2' . 34565 1 32 . 1 . 1 3 3 DG H2'' H 1 2.64938 0.00760 . . . . . . A 3 DG H2'' . 34565 1 33 . 1 . 1 3 3 DG H3' H 1 4.93233 0.00364 . . . . . . A 3 DG H3' . 34565 1 34 . 1 . 1 3 3 DG H4' H 1 4.33260 0.00314 . . . . . . A 3 DG H4' . 34565 1 35 . 1 . 1 3 3 DG H5' H 1 4.12350 0.00150 . . . . . . A 3 DG H5' . 34565 1 36 . 1 . 1 3 3 DG H5'' H 1 4.12350 0.00150 . . . . . . A 3 DG H5'' . 34565 1 37 . 1 . 1 3 3 DG H8 H 1 7.96219 0.00210 . . . . . . A 3 DG H8 . 34565 1 38 . 1 . 1 3 3 DG H21 H 1 10.16550 0.00112 . . . . . . A 3 DG H21 . 34565 1 39 . 1 . 1 3 3 DG C1' C 13 80.63300 0 . . . . . . A 3 DG C1' . 34565 1 40 . 1 . 1 3 3 DG C2' C 13 39.23900 0 . . . . . . A 3 DG C2' . 34565 1 41 . 1 . 1 3 3 DG C3' C 13 76.26100 0 . . . . . . A 3 DG C3' . 34565 1 42 . 1 . 1 3 3 DG C4' C 13 84.14100 0 . . . . . . A 3 DG C4' . 34565 1 43 . 1 . 1 3 3 DG C8 C 13 135.55600 0 . . . . . . A 3 DG C8 . 34565 1 44 . 1 . 1 4 4 DG H1 H 1 11.10811 0.00578 . . . . . . A 4 DG H1 . 34565 1 45 . 1 . 1 4 4 DG H1' H 1 5.73590 0.00785 . . . . . . A 4 DG H1' . 34565 1 46 . 1 . 1 4 4 DG H2' H 1 1.77444 0.00497 . . . . . . A 4 DG H2' . 34565 1 47 . 1 . 1 4 4 DG H2'' H 1 2.39329 0.00459 . . . . . . A 4 DG H2'' . 34565 1 48 . 1 . 1 4 4 DG H3' H 1 4.77100 0.00400 . . . . . . A 4 DG H3' . 34565 1 49 . 1 . 1 4 4 DG H4' H 1 4.28760 0.00185 . . . . . . A 4 DG H4' . 34565 1 50 . 1 . 1 4 4 DG H5' H 1 4.11900 0.00443 . . . . . . A 4 DG H5' . 34565 1 51 . 1 . 1 4 4 DG H5'' H 1 4.11900 0.00443 . . . . . . A 4 DG H5'' . 34565 1 52 . 1 . 1 4 4 DG H8 H 1 7.13954 0.00221 . . . . . . A 4 DG H8 . 34565 1 53 . 1 . 1 4 4 DG H21 H 1 9.02900 0 . . . . . . A 4 DG H21 . 34565 1 54 . 1 . 1 4 4 DG C1' C 13 82.32100 0 . . . . . . A 4 DG C1' . 34565 1 55 . 1 . 1 4 4 DG C2' C 13 39.07600 0 . . . . . . A 4 DG C2' . 34565 1 56 . 1 . 1 4 4 DG C4' C 13 84.52700 0 . . . . . . A 4 DG C4' . 34565 1 57 . 1 . 1 4 4 DG C5' C 13 64.85100 0 . . . . . . A 4 DG C5' . 34565 1 58 . 1 . 1 4 4 DG C8 C 13 133.83200 0 . . . . . . A 4 DG C8 . 34565 1 59 . 1 . 1 5 5 DA H1' H 1 5.72583 0.00467 . . . . . . A 5 DA H1' . 34565 1 60 . 1 . 1 5 5 DA H2 H 1 7.71243 0.00256 . . . . . . A 5 DA H2 . 34565 1 61 . 1 . 1 5 5 DA H2' H 1 2.24260 0.00709 . . . . . . A 5 DA H2' . 34565 1 62 . 1 . 1 5 5 DA H2'' H 1 2.29960 0.00233 . . . . . . A 5 DA H2'' . 34565 1 63 . 1 . 1 5 5 DA H3' H 1 4.76000 0.00100 . . . . . . A 5 DA H3' . 34565 1 64 . 1 . 1 5 5 DA H4' H 1 4.15175 0.00217 . . . . . . A 5 DA H4' . 34565 1 65 . 1 . 1 5 5 DA H5' H 1 3.92500 0.00551 . . . . . . A 5 DA H5' . 34565 1 66 . 1 . 1 5 5 DA H5'' H 1 3.97914 0.00285 . . . . . . A 5 DA H5'' . 34565 1 67 . 1 . 1 5 5 DA H8 H 1 7.73085 0.00156 . . . . . . A 5 DA H8 . 34565 1 68 . 1 . 1 5 5 DA C1' C 13 86.28500 0 . . . . . . A 5 DA C1' . 34565 1 69 . 1 . 1 5 5 DA C2 C 13 152.04900 0 . . . . . . A 5 DA C2 . 34565 1 70 . 1 . 1 5 5 DA C2' C 13 36.37100 0 . . . . . . A 5 DA C2' . 34565 1 71 . 1 . 1 5 5 DA C4' C 13 84.16400 0 . . . . . . A 5 DA C4' . 34565 1 72 . 1 . 1 5 5 DA C8 C 13 137.67100 0 . . . . . . A 5 DA C8 . 34565 1 73 . 1 . 1 6 6 DG H1' H 1 5.21814 9.89743e-04 . . . . . . A 6 DG H1' . 34565 1 74 . 1 . 1 6 6 DG H2' H 1 2.13850 0.00161 . . . . . . A 6 DG H2' . 34565 1 75 . 1 . 1 6 6 DG H2'' H 1 2.13850 0.00161 . . . . . . A 6 DG H2'' . 34565 1 76 . 1 . 1 6 6 DG H3' H 1 4.56850 0.00150 . . . . . . A 6 DG H3' . 34565 1 77 . 1 . 1 6 6 DG H4' H 1 3.97700 0.00141 . . . . . . A 6 DG H4' . 34565 1 78 . 1 . 1 6 6 DG H5' H 1 3.82700 0.00458 . . . . . . A 6 DG H5' . 34565 1 79 . 1 . 1 6 6 DG H5'' H 1 3.91600 0.00308 . . . . . . A 6 DG H5'' . 34565 1 80 . 1 . 1 6 6 DG H8 H 1 7.48508 0.00119 . . . . . . A 6 DG H8 . 34565 1 81 . 1 . 1 6 6 DG C1' C 13 82.03500 0 . . . . . . A 6 DG C1' . 34565 1 82 . 1 . 1 6 6 DG C2' C 13 37.01700 0 . . . . . . A 6 DG C2' . 34565 1 83 . 1 . 1 6 6 DG C4' C 13 83.49400 0 . . . . . . A 6 DG C4' . 34565 1 84 . 1 . 1 6 6 DG C5' C 13 65.17100 0 . . . . . . A 6 DG C5' . 34565 1 85 . 1 . 1 6 6 DG C8 C 13 136.16000 0 . . . . . . A 6 DG C8 . 34565 1 86 . 1 . 1 7 7 DG H1' H 1 5.60700 7.07107e-04 . . . . . . A 7 DG H1' . 34565 1 87 . 1 . 1 7 7 DG H2' H 1 2.14214 0.00259 . . . . . . A 7 DG H2' . 34565 1 88 . 1 . 1 7 7 DG H2'' H 1 2.29757 0.00256 . . . . . . A 7 DG H2'' . 34565 1 89 . 1 . 1 7 7 DG H3' H 1 4.59200 0.00300 . . . . . . A 7 DG H3' . 34565 1 90 . 1 . 1 7 7 DG H4' H 1 3.97386 0.00125 . . . . . . A 7 DG H4' . 34565 1 91 . 1 . 1 7 7 DG H5' H 1 3.68933 0.00468 . . . . . . A 7 DG H5' . 34565 1 92 . 1 . 1 7 7 DG H5'' H 1 3.74887 0.00588 . . . . . . A 7 DG H5'' . 34565 1 93 . 1 . 1 7 7 DG H8 H 1 7.57336 7.71389e-04 . . . . . . A 7 DG H8 . 34565 1 94 . 1 . 1 7 7 DG C1' C 13 83.07600 0 . . . . . . A 7 DG C1' . 34565 1 95 . 1 . 1 7 7 DG C2' C 13 38.26900 0 . . . . . . A 7 DG C2' . 34565 1 96 . 1 . 1 7 7 DG C4' C 13 83.57500 0 . . . . . . A 7 DG C4' . 34565 1 97 . 1 . 1 7 7 DG C5' C 13 65.30800 0 . . . . . . A 7 DG C5' . 34565 1 98 . 1 . 1 7 7 DG C8 C 13 136.91300 0 . . . . . . A 7 DG C8 . 34565 1 99 . 1 . 1 8 8 DT H1' H 1 5.48008 0.00468 . . . . . . A 8 DT H1' . 34565 1 100 . 1 . 1 8 8 DT H2' H 1 1.74100 0.00211 . . . . . . A 8 DT H2' . 34565 1 101 . 1 . 1 8 8 DT H2'' H 1 2.07911 0.00517 . . . . . . A 8 DT H2'' . 34565 1 102 . 1 . 1 8 8 DT H3' H 1 4.36188 0.00355 . . . . . . A 8 DT H3' . 34565 1 103 . 1 . 1 8 8 DT H4' H 1 3.85673 0.00114 . . . . . . A 8 DT H4' . 34565 1 104 . 1 . 1 8 8 DT H5' H 1 3.35280 0.00481 . . . . . . A 8 DT H5' . 34565 1 105 . 1 . 1 8 8 DT H5'' H 1 3.64625 0.00244 . . . . . . A 8 DT H5'' . 34565 1 106 . 1 . 1 8 8 DT H6 H 1 6.91442 0.00263 . . . . . . A 8 DT H6 . 34565 1 107 . 1 . 1 8 8 DT H71 H 1 1.16775 0.00347 . . . . . . A 8 DT H71 . 34565 1 108 . 1 . 1 8 8 DT H72 H 1 1.16775 0.00347 . . . . . . A 8 DT H72 . 34565 1 109 . 1 . 1 8 8 DT H73 H 1 1.16775 0.00347 . . . . . . A 8 DT H73 . 34565 1 110 . 1 . 1 8 8 DT C1' C 13 84.14200 0 . . . . . . A 8 DT C1' . 34565 1 111 . 1 . 1 8 8 DT C3' C 13 74.99700 0 . . . . . . A 8 DT C3' . 34565 1 112 . 1 . 1 8 8 DT C4' C 13 83.72600 0 . . . . . . A 8 DT C4' . 34565 1 113 . 1 . 1 8 8 DT C5' C 13 65.50100 0 . . . . . . A 8 DT C5' . 34565 1 114 . 1 . 1 8 8 DT C6 C 13 136.15700 0 . . . . . . A 8 DT C6 . 34565 1 115 . 1 . 1 8 8 DT C7 C 13 91.23300 0 . . . . . . A 8 DT C7 . 34565 1 116 . 1 . 1 9 9 DG H1 H 1 11.05223 0.00291 . . . . . . A 9 DG H1 . 34565 1 117 . 1 . 1 9 9 DG H1' H 1 6.22480 0.00194 . . . . . . A 9 DG H1' . 34565 1 118 . 1 . 1 9 9 DG H2' H 1 2.62657 0.00456 . . . . . . A 9 DG H2' . 34565 1 119 . 1 . 1 9 9 DG H2'' H 1 3.64600 0.00705 . . . . . . A 9 DG H2'' . 34565 1 120 . 1 . 1 9 9 DG H3' H 1 4.93425 0.01076 . . . . . . A 9 DG H3' . 34565 1 121 . 1 . 1 9 9 DG H4' H 1 4.46950 0.00304 . . . . . . A 9 DG H4' . 34565 1 122 . 1 . 1 9 9 DG H5' H 1 3.91940 4.89898e-04 . . . . . . A 9 DG H5' . 34565 1 123 . 1 . 1 9 9 DG H5'' H 1 4.13340 0.00338 . . . . . . A 9 DG H5'' . 34565 1 124 . 1 . 1 9 9 DG H8 H 1 7.43119 0.00405 . . . . . . A 9 DG H8 . 34565 1 125 . 1 . 1 9 9 DG C1' C 13 86.86400 0 . . . . . . A 9 DG C1' . 34565 1 126 . 1 . 1 9 9 DG C2' C 13 34.90100 0 . . . . . . A 9 DG C2' . 34565 1 127 . 1 . 1 9 9 DG C3' C 13 76.72800 0 . . . . . . A 9 DG C3' . 34565 1 128 . 1 . 1 9 9 DG C5' C 13 65.55000 0 . . . . . . A 9 DG C5' . 34565 1 129 . 1 . 1 9 9 DG C8 C 13 139.14400 0 . . . . . . A 9 DG C8 . 34565 1 130 . 1 . 1 10 10 DT H1' H 1 6.37500 0.00200 . . . . . . A 10 DT H1' . 34565 1 131 . 1 . 1 10 10 DT H2' H 1 2.32775 0.00286 . . . . . . A 10 DT H2' . 34565 1 132 . 1 . 1 10 10 DT H2'' H 1 2.54100 0.00453 . . . . . . A 10 DT H2'' . 34565 1 133 . 1 . 1 10 10 DT H3' H 1 4.91650 0.00150 . . . . . . A 10 DT H3' . 34565 1 134 . 1 . 1 10 10 DT H4' H 1 4.37600 0.00141 . . . . . . A 10 DT H4' . 34565 1 135 . 1 . 1 10 10 DT H5' H 1 4.06762 0.00576 . . . . . . A 10 DT H5' . 34565 1 136 . 1 . 1 10 10 DT H5'' H 1 4.22850 0.00912 . . . . . . A 10 DT H5'' . 34565 1 137 . 1 . 1 10 10 DT H6 H 1 7.71925 0.00156 . . . . . . A 10 DT H6 . 34565 1 138 . 1 . 1 10 10 DT H71 H 1 1.81300 0.00200 . . . . . . A 10 DT H71 . 34565 1 139 . 1 . 1 10 10 DT H72 H 1 1.81300 0.00200 . . . . . . A 10 DT H72 . 34565 1 140 . 1 . 1 10 10 DT H73 H 1 1.81300 0.00200 . . . . . . A 10 DT H73 . 34565 1 141 . 1 . 1 10 10 DT C1' C 13 84.99600 0 . . . . . . A 10 DT C1' . 34565 1 142 . 1 . 1 10 10 DT C2' C 13 38.12900 0 . . . . . . A 10 DT C2' . 34565 1 143 . 1 . 1 10 10 DT C3' C 13 76.45400 0 . . . . . . A 10 DT C3' . 34565 1 144 . 1 . 1 10 10 DT C4' C 13 85.23400 0 . . . . . . A 10 DT C4' . 34565 1 145 . 1 . 1 10 10 DT C5' C 13 65.81400 0 . . . . . . A 10 DT C5' . 34565 1 146 . 1 . 1 10 10 DT C6 C 13 137.31900 0 . . . . . . A 10 DT C6 . 34565 1 147 . 1 . 1 10 10 DT C7 C 13 91.72300 0 . . . . . . A 10 DT C7 . 34565 1 148 . 1 . 1 11 11 DG H1 H 1 11.52529 0.00789 . . . . . . A 11 DG H1 . 34565 1 149 . 1 . 1 11 11 DG H1' H 1 5.75150 0.00250 . . . . . . A 11 DG H1' . 34565 1 150 . 1 . 1 11 11 DG H2' H 1 2.60950 0.00345 . . . . . . A 11 DG H2' . 34565 1 151 . 1 . 1 11 11 DG H2'' H 1 2.80200 0.00558 . . . . . . A 11 DG H2'' . 34565 1 152 . 1 . 1 11 11 DG H3' H 1 4.74850 0.00206 . . . . . . A 11 DG H3' . 34565 1 153 . 1 . 1 11 11 DG H4' H 1 4.46600 0.00163 . . . . . . A 11 DG H4' . 34565 1 154 . 1 . 1 11 11 DG H5' H 1 4.09940 0.00150 . . . . . . A 11 DG H5' . 34565 1 155 . 1 . 1 11 11 DG H5'' H 1 4.28900 0.00294 . . . . . . A 11 DG H5'' . 34565 1 156 . 1 . 1 11 11 DG H8 H 1 7.16225 0.00309 . . . . . . A 11 DG H8 . 34565 1 157 . 1 . 1 11 11 DG C1' C 13 82.12500 0 . . . . . . A 11 DG C1' . 34565 1 158 . 1 . 1 11 11 DG C4' C 13 83.87700 0 . . . . . . A 11 DG C4' . 34565 1 159 . 1 . 1 11 11 DG C5' C 13 66.80400 0 . . . . . . A 11 DG C5' . 34565 1 160 . 1 . 1 11 11 DG C8 C 13 138.11000 0 . . . . . . A 11 DG C8 . 34565 1 161 . 1 . 1 12 12 DG H1 H 1 11.90125 0.00179 . . . . . . A 12 DG H1 . 34565 1 162 . 1 . 1 12 12 DG H1' H 1 5.82633 0.00531 . . . . . . A 12 DG H1' . 34565 1 163 . 1 . 1 12 12 DG H2' H 1 2.22913 0.00348 . . . . . . A 12 DG H2' . 34565 1 164 . 1 . 1 12 12 DG H2'' H 1 2.50289 0.00345 . . . . . . A 12 DG H2'' . 34565 1 165 . 1 . 1 12 12 DG H3' H 1 4.97483 0.00267 . . . . . . A 12 DG H3' . 34565 1 166 . 1 . 1 12 12 DG H4' H 1 4.28825 8.29156e-04 . . . . . . A 12 DG H4' . 34565 1 167 . 1 . 1 12 12 DG H5' H 1 4.09800 0.00392 . . . . . . A 12 DG H5' . 34565 1 168 . 1 . 1 12 12 DG H5'' H 1 4.09800 0.00392 . . . . . . A 12 DG H5'' . 34565 1 169 . 1 . 1 12 12 DG H8 H 1 7.92094 9.98268e-04 . . . . . . A 12 DG H8 . 34565 1 170 . 1 . 1 12 12 DG H21 H 1 9.50800 0 . . . . . . A 12 DG H21 . 34565 1 171 . 1 . 1 12 12 DG C1' C 13 80.63000 0 . . . . . . A 12 DG C1' . 34565 1 172 . 1 . 1 12 12 DG C3' C 13 76.25800 0 . . . . . . A 12 DG C3' . 34565 1 173 . 1 . 1 12 12 DG C4' C 13 85.80400 0 . . . . . . A 12 DG C4' . 34565 1 174 . 1 . 1 12 12 DG C8 C 13 134.75000 0 . . . . . . A 12 DG C8 . 34565 1 175 . 1 . 1 13 13 DC H1' H 1 6.20185 0.00196 . . . . . . A 13 DC H1' . 34565 1 176 . 1 . 1 13 13 DC H2' H 1 1.90811 0.00401 . . . . . . A 13 DC H2' . 34565 1 177 . 1 . 1 13 13 DC H2'' H 1 2.42425 0.00441 . . . . . . A 13 DC H2'' . 34565 1 178 . 1 . 1 13 13 DC H3' H 1 4.63667 0.00125 . . . . . . A 13 DC H3' . 34565 1 179 . 1 . 1 13 13 DC H4' H 1 4.32940 0.00185 . . . . . . A 13 DC H4' . 34565 1 180 . 1 . 1 13 13 DC H5 H 1 6.06450 0.00250 . . . . . . A 13 DC H5 . 34565 1 181 . 1 . 1 13 13 DC H5' H 1 3.95843 0.00272 . . . . . . A 13 DC H5' . 34565 1 182 . 1 . 1 13 13 DC H5'' H 1 4.05700 0.00273 . . . . . . A 13 DC H5'' . 34565 1 183 . 1 . 1 13 13 DC H6 H 1 7.94122 0.00140 . . . . . . A 13 DC H6 . 34565 1 184 . 1 . 1 13 13 DC C1' C 13 86.52700 0 . . . . . . A 13 DC C1' . 34565 1 185 . 1 . 1 13 13 DC C2' C 13 39.45000 0 . . . . . . A 13 DC C2' . 34565 1 186 . 1 . 1 13 13 DC C4' C 13 85.63100 0 . . . . . . A 13 DC C4' . 34565 1 187 . 1 . 1 13 13 DC C5' C 13 65.28200 0 . . . . . . A 13 DC C5' . 34565 1 188 . 1 . 1 13 13 DC C6 C 13 141.19800 0 . . . . . . A 13 DC C6 . 34565 1 189 . 1 . 1 14 14 DC H1' H 1 5.86720 0.00286 . . . . . . A 14 DC H1' . 34565 1 190 . 1 . 1 14 14 DC H2' H 1 1.32736 0.00394 . . . . . . A 14 DC H2' . 34565 1 191 . 1 . 1 14 14 DC H2'' H 1 2.17200 0.00410 . . . . . . A 14 DC H2'' . 34565 1 192 . 1 . 1 14 14 DC H3' H 1 4.48225 4.33013e-04 . . . . . . A 14 DC H3' . 34565 1 193 . 1 . 1 14 14 DC H4' H 1 4.02329 8.80631e-04 . . . . . . A 14 DC H4' . 34565 1 194 . 1 . 1 14 14 DC H5 H 1 5.38911 0.00608 . . . . . . A 14 DC H5 . 34565 1 195 . 1 . 1 14 14 DC H5' H 1 3.70633 0.00353 . . . . . . A 14 DC H5' . 34565 1 196 . 1 . 1 14 14 DC H5'' H 1 3.81611 0.00303 . . . . . . A 14 DC H5'' . 34565 1 197 . 1 . 1 14 14 DC H6 H 1 7.27583 0.00172 . . . . . . A 14 DC H6 . 34565 1 198 . 1 . 1 14 14 DC C1' C 13 85.48100 0 . . . . . . A 14 DC C1' . 34565 1 199 . 1 . 1 14 14 DC C2' C 13 37.43400 0 . . . . . . A 14 DC C2' . 34565 1 200 . 1 . 1 14 14 DC C3' C 13 76.01700 0 . . . . . . A 14 DC C3' . 34565 1 201 . 1 . 1 14 14 DC C4' C 13 84.27400 0 . . . . . . A 14 DC C4' . 34565 1 202 . 1 . 1 14 14 DC C5' C 13 64.69800 0 . . . . . . A 14 DC C5' . 34565 1 203 . 1 . 1 14 14 DC C6 C 13 140.14600 0 . . . . . . A 14 DC C6 . 34565 1 204 . 1 . 1 15 15 DT H1' H 1 5.63670 0.00190 . . . . . . A 15 DT H1' . 34565 1 205 . 1 . 1 15 15 DT H2' H 1 2.29900 0.00194 . . . . . . A 15 DT H2' . 34565 1 206 . 1 . 1 15 15 DT H3' H 1 4.71867 4.71405e-04 . . . . . . A 15 DT H3' . 34565 1 207 . 1 . 1 15 15 DT H4' H 1 3.97243 0.00329 . . . . . . A 15 DT H4' . 34565 1 208 . 1 . 1 15 15 DT H5' H 1 3.72125 0.00630 . . . . . . A 15 DT H5' . 34565 1 209 . 1 . 1 15 15 DT H5'' H 1 3.81350 0.00792 . . . . . . A 15 DT H5'' . 34565 1 210 . 1 . 1 15 15 DT H6 H 1 7.06323 0.00148 . . . . . . A 15 DT H6 . 34565 1 211 . 1 . 1 15 15 DT H71 H 1 0.98425 0.00334 . . . . . . A 15 DT H71 . 34565 1 212 . 1 . 1 15 15 DT H72 H 1 0.98425 0.00334 . . . . . . A 15 DT H72 . 34565 1 213 . 1 . 1 15 15 DT H73 H 1 0.98425 0.00334 . . . . . . A 15 DT H73 . 34565 1 214 . 1 . 1 15 15 DT C1' C 13 83.41800 0 . . . . . . A 15 DT C1' . 34565 1 215 . 1 . 1 15 15 DT C2' C 13 34.90400 0 . . . . . . A 15 DT C2' . 34565 1 216 . 1 . 1 15 15 DT C4' C 13 84.30600 0 . . . . . . A 15 DT C4' . 34565 1 217 . 1 . 1 15 15 DT C5' C 13 64.90700 0 . . . . . . A 15 DT C5' . 34565 1 218 . 1 . 1 15 15 DT C6 C 13 135.44400 0 . . . . . . A 15 DT C6 . 34565 1 219 . 1 . 1 15 15 DT C7 C 13 91.10400 0 . . . . . . A 15 DT C7 . 34565 1 220 . 1 . 1 16 16 DG H1 H 1 11.51383 0.00607 . . . . . . A 16 DG H1 . 34565 1 221 . 1 . 1 16 16 DG H1' H 1 6.01760 0.00180 . . . . . . A 16 DG H1' . 34565 1 222 . 1 . 1 16 16 DG H2' H 1 2.93767 0.00591 . . . . . . A 16 DG H2' . 34565 1 223 . 1 . 1 16 16 DG H2'' H 1 3.32973 0.00429 . . . . . . A 16 DG H2'' . 34565 1 224 . 1 . 1 16 16 DG H3' H 1 4.82367 9.42809e-04 . . . . . . A 16 DG H3' . 34565 1 225 . 1 . 1 16 16 DG H4' H 1 4.37900 0.00158 . . . . . . A 16 DG H4' . 34565 1 226 . 1 . 1 16 16 DG H5' H 1 4.15233 0.00111 . . . . . . A 16 DG H5' . 34565 1 227 . 1 . 1 16 16 DG H5'' H 1 4.24843 0.00893 . . . . . . A 16 DG H5'' . 34565 1 228 . 1 . 1 16 16 DG H8 H 1 7.38320 0.00111 . . . . . . A 16 DG H8 . 34565 1 229 . 1 . 1 16 16 DG C1' C 13 86.72600 0 . . . . . . A 16 DG C1' . 34565 1 230 . 1 . 1 16 16 DG C4' C 13 84.44100 0 . . . . . . A 16 DG C4' . 34565 1 231 . 1 . 1 16 16 DG C8 C 13 139.30100 0 . . . . . . A 16 DG C8 . 34565 1 232 . 1 . 1 17 17 DG H1 H 1 11.42275 8.29156e-04 . . . . . . A 17 DG H1 . 34565 1 233 . 1 . 1 17 17 DG H1' H 1 5.89325 0.00254 . . . . . . A 17 DG H1' . 34565 1 234 . 1 . 1 17 17 DG H2' H 1 2.45967 0.00424 . . . . . . A 17 DG H2' . 34565 1 235 . 1 . 1 17 17 DG H2'' H 1 2.72700 0.00467 . . . . . . A 17 DG H2'' . 34565 1 236 . 1 . 1 17 17 DG H3' H 1 4.95738 0.00328 . . . . . . A 17 DG H3' . 34565 1 237 . 1 . 1 17 17 DG H4' H 1 4.37100 0.00324 . . . . . . A 17 DG H4' . 34565 1 238 . 1 . 1 17 17 DG H5' H 1 4.08514 0.00405 . . . . . . A 17 DG H5' . 34565 1 239 . 1 . 1 17 17 DG H5'' H 1 4.31500 0.00753 . . . . . . A 17 DG H5'' . 34565 1 240 . 1 . 1 17 17 DG H8 H 1 7.83450 8.66025e-04 . . . . . . A 17 DG H8 . 34565 1 241 . 1 . 1 17 17 DG H21 H 1 9.51100 0.00784 . . . . . . A 17 DG H21 . 34565 1 242 . 1 . 1 17 17 DG C1' C 13 80.93200 0 . . . . . . A 17 DG C1' . 34565 1 243 . 1 . 1 17 17 DG C2' C 13 40.02000 0 . . . . . . A 17 DG C2' . 34565 1 244 . 1 . 1 17 17 DG C3' C 13 75.94800 0 . . . . . . A 17 DG C3' . 34565 1 245 . 1 . 1 17 17 DG C4' C 13 84.06700 0 . . . . . . A 17 DG C4' . 34565 1 246 . 1 . 1 17 17 DG C8 C 13 135.79400 0 . . . . . . A 17 DG C8 . 34565 1 247 . 1 . 1 18 18 DG H1 H 1 10.99400 0.00196 . . . . . . A 18 DG H1 . 34565 1 248 . 1 . 1 18 18 DG H1' H 1 6.35971 0.00243 . . . . . . A 18 DG H1' . 34565 1 249 . 1 . 1 18 18 DG H2' H 1 2.54880 0.00640 . . . . . . A 18 DG H2' . 34565 1 250 . 1 . 1 18 18 DG H2'' H 1 2.60180 0.00542 . . . . . . A 18 DG H2'' . 34565 1 251 . 1 . 1 18 18 DG H3' H 1 5.01900 0.00245 . . . . . . A 18 DG H3' . 34565 1 252 . 1 . 1 18 18 DG H4' H 1 4.58325 0.00238 . . . . . . A 18 DG H4' . 34565 1 253 . 1 . 1 18 18 DG H5' H 1 4.23600 0.00561 . . . . . . A 18 DG H5' . 34565 1 254 . 1 . 1 18 18 DG H5'' H 1 4.23600 0.00561 . . . . . . A 18 DG H5'' . 34565 1 255 . 1 . 1 18 18 DG H8 H 1 7.73000 0.00283 . . . . . . A 18 DG H8 . 34565 1 256 . 1 . 1 18 18 DG H21 H 1 9.00900 0 . . . . . . A 18 DG H21 . 34565 1 257 . 1 . 1 18 18 DG C1' C 13 82.89200 0 . . . . . . A 18 DG C1' . 34565 1 258 . 1 . 1 18 18 DG C3' C 13 78.85100 0 . . . . . . A 18 DG C3' . 34565 1 259 . 1 . 1 18 18 DG C5' C 13 66.71300 0 . . . . . . A 18 DG C5' . 34565 1 260 . 1 . 1 18 18 DG C8 C 13 135.71400 0 . . . . . . A 18 DG C8 . 34565 1 261 . 1 . 1 19 19 DC H1' H 1 6.38143 0.00266 . . . . . . A 19 DC H1' . 34565 1 262 . 1 . 1 19 19 DC H2' H 1 2.22540 0.00174 . . . . . . A 19 DC H2' . 34565 1 263 . 1 . 1 19 19 DC H2'' H 1 2.72220 0.00133 . . . . . . A 19 DC H2'' . 34565 1 264 . 1 . 1 19 19 DC H3' H 1 5.00162 0.00335 . . . . . . A 19 DC H3' . 34565 1 265 . 1 . 1 19 19 DC H4' H 1 4.72667 0.00368 . . . . . . A 19 DC H4' . 34565 1 266 . 1 . 1 19 19 DC H5 H 1 6.06400 0.00200 . . . . . . A 19 DC H5 . 34565 1 267 . 1 . 1 19 19 DC H5' H 1 4.25550 0.00439 . . . . . . A 19 DC H5' . 34565 1 268 . 1 . 1 19 19 DC H5'' H 1 4.25550 0.00439 . . . . . . A 19 DC H5'' . 34565 1 269 . 1 . 1 19 19 DC H6 H 1 7.90938 0.00122 . . . . . . A 19 DC H6 . 34565 1 270 . 1 . 1 19 19 DC C1' C 13 86.09800 0 . . . . . . A 19 DC C1' . 34565 1 271 . 1 . 1 19 19 DC C2' C 13 39.28500 0 . . . . . . A 19 DC C2' . 34565 1 272 . 1 . 1 19 19 DC C3' C 13 77.32800 0 . . . . . . A 19 DC C3' . 34565 1 273 . 1 . 1 19 19 DC C5' C 13 65.78000 0 . . . . . . A 19 DC C5' . 34565 1 274 . 1 . 1 19 19 DC C6 C 13 141.10700 0 . . . . . . A 19 DC C6 . 34565 1 275 . 1 . 1 20 20 DG H1 H 1 11.43100 0.00497 . . . . . . A 20 DG H1 . 34565 1 276 . 1 . 1 20 20 DG H1' H 1 5.92570 0.00279 . . . . . . A 20 DG H1' . 34565 1 277 . 1 . 1 20 20 DG H2' H 1 2.72129 0.00225 . . . . . . A 20 DG H2' . 34565 1 278 . 1 . 1 20 20 DG H2'' H 1 2.89271 0.00465 . . . . . . A 20 DG H2'' . 34565 1 279 . 1 . 1 20 20 DG H3' H 1 5.01050 0.00206 . . . . . . A 20 DG H3' . 34565 1 280 . 1 . 1 20 20 DG H4' H 1 4.33300 1.00000e-03 . . . . . . A 20 DG H4' . 34565 1 281 . 1 . 1 20 20 DG H5' H 1 4.12700 0.00308 . . . . . . A 20 DG H5' . 34565 1 282 . 1 . 1 20 20 DG H5'' H 1 4.12700 0.00308 . . . . . . A 20 DG H5'' . 34565 1 283 . 1 . 1 20 20 DG H8 H 1 7.17700 0.00118 . . . . . . A 20 DG H8 . 34565 1 284 . 1 . 1 20 20 DG C1' C 13 86.88000 0 . . . . . . A 20 DG C1' . 34565 1 285 . 1 . 1 20 20 DG C3' C 13 77.46900 0 . . . . . . A 20 DG C3' . 34565 1 286 . 1 . 1 20 20 DG C4' C 13 84.32600 0 . . . . . . A 20 DG C4' . 34565 1 287 . 1 . 1 20 20 DG C5' C 13 65.95100 0 . . . . . . A 20 DG C5' . 34565 1 288 . 1 . 1 20 20 DG C8 C 13 137.84700 0 . . . . . . A 20 DG C8 . 34565 1 289 . 1 . 1 21 21 DG H1 H 1 11.66186 0.00181 . . . . . . A 21 DG H1 . 34565 1 290 . 1 . 1 21 21 DG H1' H 1 5.80162 0.00149 . . . . . . A 21 DG H1' . 34565 1 291 . 1 . 1 21 21 DG H2' H 1 2.60233 0.00236 . . . . . . A 21 DG H2' . 34565 1 292 . 1 . 1 21 21 DG H2'' H 1 2.60233 0.00236 . . . . . . A 21 DG H2'' . 34565 1 293 . 1 . 1 21 21 DG H3' H 1 4.99633 0.00531 . . . . . . A 21 DG H3' . 34565 1 294 . 1 . 1 21 21 DG H4' H 1 4.54700 0.00141 . . . . . . A 21 DG H4' . 34565 1 295 . 1 . 1 21 21 DG H5' H 1 4.12440 0.00258 . . . . . . A 21 DG H5' . 34565 1 296 . 1 . 1 21 21 DG H5'' H 1 4.34120 0.00449 . . . . . . A 21 DG H5'' . 34565 1 297 . 1 . 1 21 21 DG H8 H 1 8.09757 0.00261 . . . . . . A 21 DG H8 . 34565 1 298 . 1 . 1 21 21 DG H21 H 1 9.90200 0.01500 . . . . . . A 21 DG H21 . 34565 1 299 . 1 . 1 21 21 DG C1' C 13 80.31100 0 . . . . . . A 21 DG C1' . 34565 1 300 . 1 . 1 21 21 DG C2' C 13 39.39900 0 . . . . . . A 21 DG C2' . 34565 1 301 . 1 . 1 21 21 DG C3' C 13 75.92900 0 . . . . . . A 21 DG C3' . 34565 1 302 . 1 . 1 21 21 DG C8 C 13 136.58800 0 . . . . . . A 21 DG C8 . 34565 1 303 . 1 . 1 22 22 DG H1 H 1 11.36990 0.00291 . . . . . . A 22 DG H1 . 34565 1 304 . 1 . 1 22 22 DG H1' H 1 6.32400 0.00442 . . . . . . A 22 DG H1' . 34565 1 305 . 1 . 1 22 22 DG H2' H 1 2.38117 0.00308 . . . . . . A 22 DG H2' . 34565 1 306 . 1 . 1 22 22 DG H2'' H 1 2.46683 0.00609 . . . . . . A 22 DG H2'' . 34565 1 307 . 1 . 1 22 22 DG H3' H 1 4.59700 0.00100 . . . . . . A 22 DG H3' . 34565 1 308 . 1 . 1 22 22 DG H4' H 1 4.30850 0.00695 . . . . . . A 22 DG H4' . 34565 1 309 . 1 . 1 22 22 DG H5' H 1 4.14240 0.00585 . . . . . . A 22 DG H5' . 34565 1 310 . 1 . 1 22 22 DG H5'' H 1 4.19650 0.00275 . . . . . . A 22 DG H5'' . 34565 1 311 . 1 . 1 22 22 DG H8 H 1 7.65431 4.61538e-04 . . . . . . A 22 DG H8 . 34565 1 312 . 1 . 1 22 22 DG C1' C 13 82.73300 0 . . . . . . A 22 DG C1' . 34565 1 313 . 1 . 1 22 22 DG C2' C 13 40.78400 0 . . . . . . A 22 DG C2' . 34565 1 314 . 1 . 1 22 22 DG C4' C 13 85.96000 0 . . . . . . A 22 DG C4' . 34565 1 315 . 1 . 1 22 22 DG C5' C 13 66.33300 0 . . . . . . A 22 DG C5' . 34565 1 316 . 1 . 1 22 22 DG C8 C 13 134.64600 0 . . . . . . A 22 DG C8 . 34565 1 stop_ save_