################################### # 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 52279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag2 _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-13C HMQC' . . . 52279 1 2 '2D 1H-1H TOCSY' . . . 52279 1 3 '2D 1H-1H NOESY' . . . 52279 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 1 $software_1 . . 52279 1 2 $software_2 . . 52279 1 3 $software_3 . . 52279 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 G H3' H 1 4.8236 0.0000 . 1 . . . . . 1206 G H3' . 52279 1 2 . 1 . 1 1 1 G H2' H 1 5.0211 0.0000 . 1 . . . . . 1206 G H2' . 52279 1 3 . 1 . 1 1 1 G H1' H 1 5.9122 0.0000 . 1 . . . . . 1206 G H1' . 52279 1 4 . 1 . 1 1 1 G C8 C 13 139.6372 0.0000 . 1 . . . . . 1206 G C8 . 52279 1 5 . 1 . 1 1 1 G H8 H 1 8.2426 0.0000 . 1 . . . . . 1206 G H8 . 52279 1 6 . 1 . 1 2 2 G H3' H 1 4.6376 0.0000 . 1 . . . . . 1207 G H3' . 52279 1 7 . 1 . 1 2 2 G H2' H 1 4.6873 0.0000 . 1 . . . . . 1207 G H2' . 52279 1 8 . 1 . 1 2 2 G H1' H 1 5.9714 0.0000 . 1 . . . . . 1207 G H1' . 52279 1 9 . 1 . 1 2 2 G C8 C 13 137.0298 0.0000 . 1 . . . . . 1207 G C8 . 52279 1 10 . 1 . 1 2 2 G H8 H 1 7.5902 0.0000 . 1 . . . . . 1207 G H8 . 52279 1 11 . 1 . 1 3 3 A H3' H 1 4.6175 0.0000 . 1 . . . . . 490 A H3' . 52279 1 12 . 1 . 1 3 3 A H2' H 1 4.6552 0.0000 . 1 . . . . . 490 A H2' . 52279 1 13 . 1 . 1 3 3 A H1' H 1 6.0166 0.0000 . 1 . . . . . 490 A H1' . 52279 1 14 . 1 . 1 3 3 A C8 C 13 139.4917 0.0000 . 1 . . . . . 490 A C8 . 52279 1 15 . 1 . 1 3 3 A H8 H 1 7.7902 0.0000 . 1 . . . . . 490 A H8 . 52279 1 16 . 1 . 1 3 3 A C2 C 13 152.9871 0.0000 . 1 . . . . . 490 A C2 . 52279 1 17 . 1 . 1 3 3 A H2 H 1 7.2474 0.0000 . 1 . . . . . 490 A H2 . 52279 1 18 . 1 . 1 4 4 A H3' H 1 4.6428 0.0000 . 1 . . . . . 491 A H3' . 52279 1 19 . 1 . 1 4 4 A H2' H 1 4.6428 0.0000 . 1 . . . . . 491 A H2' . 52279 1 20 . 1 . 1 4 4 A H1' H 1 5.9553 0.0000 . 1 . . . . . 491 A H1' . 52279 1 21 . 1 . 1 4 4 A C8 C 13 139.2991 0.0000 . 1 . . . . . 491 A C8 . 52279 1 22 . 1 . 1 4 4 A H8 H 1 7.7149 0.0000 . 1 . . . . . 491 A H8 . 52279 1 23 . 1 . 1 4 4 A C2 C 13 153.3219 0.0000 . 1 . . . . . 491 A C2 . 52279 1 24 . 1 . 1 4 4 A H2 H 1 7.5807 0.0000 . 1 . . . . . 491 A H2 . 52279 1 25 . 1 . 1 5 5 G H3' H 1 4.4244 0.0000 . 1 . . . . . 492 G H3' . 52279 1 26 . 1 . 1 5 5 G H2' H 1 4.5114 0.0000 . 1 . . . . . 492 G H2' . 52279 1 27 . 1 . 1 5 5 G H1' H 1 5.6218 0.0000 . 1 . . . . . 492 G H1' . 52279 1 28 . 1 . 1 5 5 G C8 C 13 136.1052 0.0000 . 1 . . . . . 492 G C8 . 52279 1 29 . 1 . 1 5 5 G H8 H 1 7.1275 0.0000 . 1 . . . . . 492 G H8 . 52279 1 30 . 1 . 1 6 6 U H3' H 1 4.5524 0.0000 . 1 . . . . . 493 U H3' . 52279 1 31 . 1 . 1 6 6 U H2' H 1 4.6813 0.0000 . 1 . . . . . 493 U H2' . 52279 1 32 . 1 . 1 6 6 U H1' H 1 5.6302 0.0000 . 1 . . . . . 493 U H1' . 52279 1 33 . 1 . 1 6 6 U H5 H 1 5.0985 0.0000 . 1 . . . . . 493 U H5 . 52279 1 34 . 1 . 1 6 6 U C6 C 13 141.2614 0.0000 . 1 . . . . . 493 U C6 . 52279 1 35 . 1 . 1 6 6 U H6 H 1 7.7327 0.0000 . 1 . . . . . 493 U H6 . 52279 1 36 . 1 . 1 7 7 G H3' H 1 4.6089 0.0000 . 1 . . . . . 494 G H3' . 52279 1 37 . 1 . 1 7 7 G H2' H 1 4.4617 0.0000 . 1 . . . . . 494 G H2' . 52279 1 38 . 1 . 1 7 7 G H1' H 1 5.8834 0.0000 . 1 . . . . . 494 G H1' . 52279 1 39 . 1 . 1 7 7 G C8 C 13 136.2745 0.0000 . 1 . . . . . 494 G C8 . 52279 1 40 . 1 . 1 7 7 G H8 H 1 7.7572 0.0000 . 1 . . . . . 494 G H8 . 52279 1 41 . 1 . 1 8 8 C H3' H 1 4.4871 0.0000 . 1 . . . . . 495 C H3' . 52279 1 42 . 1 . 1 8 8 C H2' H 1 4.4926 0.0000 . 1 . . . . . 495 C H2' . 52279 1 43 . 1 . 1 8 8 C H1' H 1 5.5434 0.0000 . 1 . . . . . 495 C H1' . 52279 1 44 . 1 . 1 8 8 C H5 H 1 5.2988 0.0000 . 1 . . . . . 495 C H5 . 52279 1 45 . 1 . 1 8 8 C C6 C 13 141.2580 0.0000 . 1 . . . . . 495 C C6 . 52279 1 46 . 1 . 1 8 8 C H6 H 1 7.7064 0.0000 . 1 . . . . . 495 C H6 . 52279 1 47 . 1 . 1 9 9 U H3' H 1 4.4871 0.0000 . 1 . . . . . 496 U H3' . 52279 1 48 . 1 . 1 9 9 U H2' H 1 4.6083 0.0000 . 1 . . . . . 496 U H2' . 52279 1 49 . 1 . 1 9 9 U H1' H 1 5.6126 0.0000 . 1 . . . . . 496 U H1' . 52279 1 50 . 1 . 1 9 9 U H5 H 1 5.4692 0.0000 . 1 . . . . . 496 U H5 . 52279 1 51 . 1 . 1 9 9 U C6 C 13 141.8363 0.0000 . 1 . . . . . 496 U C6 . 52279 1 52 . 1 . 1 9 9 U H6 H 1 7.8279 0.0000 . 1 . . . . . 496 U H6 . 52279 1 53 . 1 . 1 10 10 U H3' H 1 4.7455 0.0000 . 1 . . . . . 497 U H3' . 52279 1 54 . 1 . 1 10 10 U H2' H 1 4.3634 0.0000 . 1 . . . . . 497 U H2' . 52279 1 55 . 1 . 1 10 10 U H1' H 1 5.5243 0.0000 . 1 . . . . . 497 U H1' . 52279 1 56 . 1 . 1 10 10 U H5 H 1 5.8872 0.0000 . 1 . . . . . 497 U H5 . 52279 1 57 . 1 . 1 10 10 U C6 C 13 141.6170 0.0000 . 1 . . . . . 497 U C6 . 52279 1 58 . 1 . 1 10 10 U H6 H 1 8.0247 0.0000 . 1 . . . . . 497 U H6 . 52279 1 59 . 1 . 1 11 11 A H3' H 1 4.7985 0.0000 . 1 . . . . . 498 A H3' . 52279 1 60 . 1 . 1 11 11 A H2' H 1 4.5549 0.0000 . 1 . . . . . 498 A H2' . 52279 1 61 . 1 . 1 11 11 A H1' H 1 5.9543 0.0000 . 1 . . . . . 498 A H1' . 52279 1 62 . 1 . 1 11 11 A C8 C 13 141.0439 0.0000 . 1 . . . . . 498 A C8 . 52279 1 63 . 1 . 1 11 11 A H8 H 1 8.4816 0.0000 . 1 . . . . . 498 A H8 . 52279 1 64 . 1 . 1 11 11 A C2 C 13 153.0146 0.0000 . 1 . . . . . 498 A C2 . 52279 1 65 . 1 . 1 11 11 A H2 H 1 7.2571 0.0000 . 1 . . . . . 498 A H2 . 52279 1 66 . 1 . 1 12 12 U H3' H 1 4.4780 0.0000 . 1 . . . . . 499 U H3' . 52279 1 67 . 1 . 1 12 12 U H2' H 1 4.4780 0.0000 . 1 . . . . . 499 U H2' . 52279 1 68 . 1 . 1 12 12 U H1' H 1 5.5248 0.0000 . 1 . . . . . 499 U H1' . 52279 1 69 . 1 . 1 12 12 U H5 H 1 5.1891 0.0000 . 1 . . . . . 499 U H5 . 52279 1 70 . 1 . 1 12 12 U C6 C 13 141.6279 0.0000 . 1 . . . . . 499 U C6 . 52279 1 71 . 1 . 1 12 12 U H6 H 1 7.7180 0.0000 . 1 . . . . . 499 U H6 . 52279 1 72 . 1 . 1 13 13 A H3' H 1 4.6360 0.0000 . 1 . . . . . 500 A H3' . 52279 1 73 . 1 . 1 13 13 A H2' H 1 4.5890 0.0000 . 1 . . . . . 500 A H2' . 52279 1 74 . 1 . 1 13 13 A H1' H 1 6.1132 0.0000 . 1 . . . . . 500 A H1' . 52279 1 75 . 1 . 1 13 13 A C8 C 13 139.8282 0.0000 . 1 . . . . . 500 A C8 . 52279 1 76 . 1 . 1 13 13 A H8 H 1 8.1554 0.0000 . 1 . . . . . 500 A H8 . 52279 1 77 . 1 . 1 13 13 A C2 C 13 152.4431 0.0000 . 1 . . . . . 500 A C2 . 52279 1 78 . 1 . 1 13 13 A H2 H 1 6.7425 0.0000 . 1 . . . . . 500 A H2 . 52279 1 79 . 1 . 1 14 14 G H3' H 1 4.2995 0.0000 . 1 . . . . . 501 G H3' . 52279 1 80 . 1 . 1 14 14 G H2' H 1 4.4808 0.0000 . 1 . . . . . 501 G H2' . 52279 1 81 . 1 . 1 14 14 G H1' H 1 5.6290 0.0000 . 1 . . . . . 501 G H1' . 52279 1 82 . 1 . 1 14 14 G C8 C 13 136.5741 0.0000 . 1 . . . . . 501 G C8 . 52279 1 83 . 1 . 1 14 14 G H8 H 1 7.0483 0.0000 . 1 . . . . . 501 G H8 . 52279 1 84 . 1 . 1 15 15 U H3' H 1 4.5756 0.0000 . 1 . . . . . 502 U H3' . 52279 1 85 . 1 . 1 15 15 U H2' H 1 4.4897 0.0000 . 1 . . . . . 502 U H2' . 52279 1 86 . 1 . 1 15 15 U H1' H 1 5.6203 0.0000 . 1 . . . . . 502 U H1' . 52279 1 87 . 1 . 1 15 15 U H5 H 1 5.1486 0.0000 . 1 . . . . . 502 U H5 . 52279 1 88 . 1 . 1 15 15 U C6 C 13 140.3384 0.0000 . 1 . . . . . 502 U C6 . 52279 1 89 . 1 . 1 15 15 U H6 H 1 7.5436 0.0000 . 1 . . . . . 502 U H6 . 52279 1 90 . 1 . 1 16 16 G H3' H 1 4.6872 0.0000 . 1 . . . . . 1208 G H3' . 52279 1 91 . 1 . 1 16 16 G H2' H 1 4.4730 0.0000 . 1 . . . . . 1208 G H2' . 52279 1 92 . 1 . 1 16 16 G H1' H 1 5.7768 0.0000 . 1 . . . . . 1208 G H1' . 52279 1 93 . 1 . 1 16 16 G C8 C 13 137.2905 0.0000 . 1 . . . . . 1208 G C8 . 52279 1 94 . 1 . 1 16 16 G H8 H 1 7.5980 0.0000 . 1 . . . . . 1208 G H8 . 52279 1 95 . 1 . 1 17 17 A H3' H 1 4.5363 0.0000 . 1 . . . . . 1209 A H3' . 52279 1 96 . 1 . 1 17 17 A H2' H 1 4.7397 0.0000 . 1 . . . . . 1209 A H2' . 52279 1 97 . 1 . 1 17 17 A H1' H 1 5.8089 0.0000 . 1 . . . . . 1209 A H1' . 52279 1 98 . 1 . 1 17 17 A C8 C 13 142.0686 0.0000 . 1 . . . . . 1209 A C8 . 52279 1 99 . 1 . 1 17 17 A H8 H 1 8.3031 0.0000 . 1 . . . . . 1209 A H8 . 52279 1 100 . 1 . 1 17 17 A C2 C 13 154.7564 0.0000 . 1 . . . . . 1209 A C2 . 52279 1 101 . 1 . 1 17 17 A H2 H 1 8.0085 0.0000 . 1 . . . . . 1209 A H2 . 52279 1 102 . 1 . 1 18 18 G H3' H 1 4.5756 0.0000 . 1 . . . . . 1210 G H3' . 52279 1 103 . 1 . 1 18 18 G H2' H 1 4.3629 0.0000 . 1 . . . . . 1210 G H2' . 52279 1 104 . 1 . 1 18 18 G H1' H 1 5.3586 0.0000 . 1 . . . . . 1210 G H1' . 52279 1 105 . 1 . 1 18 18 G C8 C 13 138.1762 0.0000 . 1 . . . . . 1210 G C8 . 52279 1 106 . 1 . 1 18 18 G H8 H 1 7.6686 0.0000 . 1 . . . . . 1210 G H8 . 52279 1 107 . 1 . 1 19 19 A H3' H 1 5.0935 0.0000 . 1 . . . . . 1211 A H3' . 52279 1 108 . 1 . 1 19 19 A H2' H 1 4.6467 0.0000 . 1 . . . . . 1211 A H2' . 52279 1 109 . 1 . 1 19 19 A H1' H 1 6.1928 0.0000 . 1 . . . . . 1211 A H1' . 52279 1 110 . 1 . 1 19 19 A C8 C 13 141.1655 0.0000 . 1 . . . . . 1211 A C8 . 52279 1 111 . 1 . 1 19 19 A H8 H 1 8.1864 0.0000 . 1 . . . . . 1211 A H8 . 52279 1 112 . 1 . 1 19 19 A C2 C 13 155.6936 0.0000 . 1 . . . . . 1211 A C2 . 52279 1 113 . 1 . 1 19 19 A H2 H 1 8.2561 0.0000 . 1 . . . . . 1211 A H2 . 52279 1 114 . 1 . 1 20 20 A H3' H 1 4.4227 0.0000 . 1 . . . . . 540 A H3' . 52279 1 115 . 1 . 1 20 20 A H2' H 1 4.5609 0.0000 . 1 . . . . . 540 A H2' . 52279 1 116 . 1 . 1 20 20 A H1' H 1 4.4141 0.0000 . 1 . . . . . 540 A H1' . 52279 1 117 . 1 . 1 20 20 A C8 C 13 141.2596 0.0000 . 1 . . . . . 540 A C8 . 52279 1 118 . 1 . 1 20 20 A H8 H 1 8.4520 0.0000 . 1 . . . . . 540 A H8 . 52279 1 119 . 1 . 1 20 20 A C2 C 13 154.1680 0.0000 . 1 . . . . . 540 A C2 . 52279 1 120 . 1 . 1 20 20 A H2 H 1 7.9787 0.0000 . 1 . . . . . 540 A H2 . 52279 1 121 . 1 . 1 21 21 U H3' H 1 4.3209 0.0000 . 1 . . . . . 541 U H3' . 52279 1 122 . 1 . 1 21 21 U H2' H 1 4.2030 0.0000 . 1 . . . . . 541 U H2' . 52279 1 123 . 1 . 1 21 21 U H1' H 1 5.4977 0.0000 . 1 . . . . . 541 U H1' . 52279 1 124 . 1 . 1 21 21 U H5 H 1 5.4236 0.0000 . 1 . . . . . 541 U H5 . 52279 1 125 . 1 . 1 21 21 U C6 C 13 141.2371 0.0000 . 1 . . . . . 541 U C6 . 52279 1 126 . 1 . 1 21 21 U H6 H 1 7.6630 0.0000 . 1 . . . . . 541 U H6 . 52279 1 127 . 1 . 1 22 22 U H3' H 1 4.6169 0.0000 . 1 . . . . . 542 U H3' . 52279 1 128 . 1 . 1 22 22 U H2' H 1 4.6160 0.0000 . 1 . . . . . 542 U H2' . 52279 1 129 . 1 . 1 22 22 U H1' H 1 5.6671 0.0000 . 1 . . . . . 542 U H1' . 52279 1 130 . 1 . 1 22 22 U H5 H 1 5.6913 0.0000 . 1 . . . . . 542 U H5 . 52279 1 131 . 1 . 1 22 22 U C6 C 13 142.8327 0.0000 . 1 . . . . . 542 U C6 . 52279 1 132 . 1 . 1 22 22 U H6 H 1 8.0995 0.0000 . 1 . . . . . 542 U H6 . 52279 1 133 . 1 . 1 23 23 A H3' H 1 4.6014 0.0000 . 1 . . . . . 543 A H3' . 52279 1 134 . 1 . 1 23 23 A H2' H 1 4.4738 0.0000 . 1 . . . . . 543 A H2' . 52279 1 135 . 1 . 1 23 23 A H1' H 1 6.0570 0.0000 . 1 . . . . . 543 A H1' . 52279 1 136 . 1 . 1 23 23 A C8 C 13 140.1408 0.0000 . 1 . . . . . 543 A C8 . 52279 1 137 . 1 . 1 23 23 A H8 H 1 8.2306 0.0000 . 1 . . . . . 543 A H8 . 52279 1 138 . 1 . 1 23 23 A C2 C 13 153.3219 0.0000 . 1 . . . . . 543 A C2 . 52279 1 139 . 1 . 1 23 23 A H2 H 1 7.1551 0.0000 . 1 . . . . . 543 A H2 . 52279 1 140 . 1 . 1 24 24 U H3' H 1 4.4442 0.0000 . 1 . . . . . 544 U H3' . 52279 1 141 . 1 . 1 24 24 U H2' H 1 4.4442 0.0000 . 1 . . . . . 544 U H2' . 52279 1 142 . 1 . 1 24 24 U H1' H 1 5.5911 0.0000 . 1 . . . . . 544 U H1' . 52279 1 143 . 1 . 1 24 24 U H5 H 1 5.1499 0.0000 . 1 . . . . . 544 U H5 . 52279 1 144 . 1 . 1 24 24 U C6 C 13 141.2632 0.0000 . 1 . . . . . 544 U C6 . 52279 1 145 . 1 . 1 24 24 U H6 H 1 7.6190 0.0000 . 1 . . . . . 544 U H6 . 52279 1 146 . 1 . 1 25 25 G H3' H 1 4.5048 0.0000 . 1 . . . . . 545 G H3' . 52279 1 147 . 1 . 1 25 25 G H2' H 1 4.7905 0.0000 . 1 . . . . . 545 G H2' . 52279 1 148 . 1 . 1 25 25 G H1' H 1 5.7666 0.0000 . 1 . . . . . 545 G H1' . 52279 1 149 . 1 . 1 25 25 G C8 C 13 137.3426 0.0000 . 1 . . . . . 545 G C8 . 52279 1 150 . 1 . 1 25 25 G H8 H 1 7.6337 0.0000 . 1 . . . . . 545 G H8 . 52279 1 151 . 1 . 1 26 26 A H3' H 1 4.6760 0.0000 . 1 . . . . . 546 A H3' . 52279 1 152 . 1 . 1 26 26 A H2' H 1 4.5220 0.0000 . 1 . . . . . 546 A H2' . 52279 1 153 . 1 . 1 26 26 A H1' H 1 5.9021 0.0000 . 1 . . . . . 546 A H1' . 52279 1 154 . 1 . 1 26 26 A C8 C 13 139.3082 0.0000 . 1 . . . . . 546 A C8 . 52279 1 155 . 1 . 1 26 26 A H8 H 1 7.7319 0.0000 . 1 . . . . . 546 A H8 . 52279 1 156 . 1 . 1 26 26 A C2 C 13 153.3912 0.0000 . 1 . . . . . 546 A C2 . 52279 1 157 . 1 . 1 26 26 A H2 H 1 7.5399 0.0000 . 1 . . . . . 546 A H2 . 52279 1 158 . 1 . 1 27 27 G H3' H 1 4.5059 0.0000 . 1 . . . . . 547 G H3' . 52279 1 159 . 1 . 1 27 27 G H2' H 1 4.5047 0.0000 . 1 . . . . . 547 G H2' . 52279 1 160 . 1 . 1 27 27 G H1' H 1 5.6900 0.0000 . 1 . . . . . 547 G H1' . 52279 1 161 . 1 . 1 27 27 G C8 C 13 135.7926 0.0000 . 1 . . . . . 547 G C8 . 52279 1 162 . 1 . 1 27 27 G H8 H 1 7.2133 0.0000 . 1 . . . . . 547 G H8 . 52279 1 163 . 1 . 1 28 28 C H3' H 1 4.5853 0.0000 . 1 . . . . . 548 C H3' . 52279 1 164 . 1 . 1 28 28 C H2' H 1 4.5853 0.0000 . 1 . . . . . 548 C H2' . 52279 1 165 . 1 . 1 28 28 C H1' H 1 5.5675 0.0000 . 1 . . . . . 548 C H1' . 52279 1 166 . 1 . 1 28 28 C H5 H 1 5.2506 0.0000 . 1 . . . . . 548 C H5 . 52279 1 167 . 1 . 1 28 28 C C6 C 13 141.2558 0.0000 . 1 . . . . . 548 C C6 . 52279 1 168 . 1 . 1 28 28 C H6 H 1 7.6909 0.0000 . 1 . . . . . 548 C H6 . 52279 1 169 . 1 . 1 29 29 A H3' H 1 4.6554 0.0000 . 1 . . . . . 549 A H3' . 52279 1 170 . 1 . 1 29 29 A H2' H 1 4.5848 0.0000 . 1 . . . . . 549 A H2' . 52279 1 171 . 1 . 1 29 29 A H1' H 1 6.0223 0.0000 . 1 . . . . . 549 A H1' . 52279 1 172 . 1 . 1 29 29 A C8 C 13 139.7761 0.0000 . 1 . . . . . 549 A C8 . 52279 1 173 . 1 . 1 29 29 A H8 H 1 8.1120 0.0000 . 1 . . . . . 549 A H8 . 52279 1 174 . 1 . 1 29 29 A C2 C 13 153.3676 0.0000 . 1 . . . . . 549 A C2 . 52279 1 175 . 1 . 1 29 29 A H2 H 1 7.4963 0.0000 . 1 . . . . . 549 A H2 . 52279 1 176 . 1 . 1 30 30 C H3' H 1 4.3201 0.0000 . 1 . . . . . 550 C H3' . 52279 1 177 . 1 . 1 30 30 C H2' H 1 4.2028 0.0000 . 1 . . . . . 550 C H2' . 52279 1 178 . 1 . 1 30 30 C H1' H 1 5.4915 0.0000 . 1 . . . . . 550 C H1' . 52279 1 179 . 1 . 1 30 30 C H5 H 1 5.3170 0.0000 . 1 . . . . . 550 C H5 . 52279 1 180 . 1 . 1 30 30 C C6 C 13 141.2371 0.0000 . 1 . . . . . 550 C C6 . 52279 1 181 . 1 . 1 30 30 C H6 H 1 7.6281 0.0000 . 1 . . . . . 550 C H6 . 52279 1 182 . 1 . 1 31 31 U H3' H 1 4.5160 0.0000 . 1 . . . . . 551 U H3' . 52279 1 183 . 1 . 1 31 31 U H2' H 1 4.5209 0.0000 . 1 . . . . . 551 U H2' . 52279 1 184 . 1 . 1 31 31 U H1' H 1 5.6295 0.0000 . 1 . . . . . 551 U H1' . 52279 1 185 . 1 . 1 31 31 U H5 H 1 5.4326 0.0000 . 1 . . . . . 551 U H5 . 52279 1 186 . 1 . 1 31 31 U C6 C 13 142.3812 0.0000 . 1 . . . . . 551 U C6 . 52279 1 187 . 1 . 1 31 31 U H6 H 1 7.9724 0.0000 . 1 . . . . . 551 U H6 . 52279 1 188 . 1 . 1 32 32 U H3' H 1 4.5416 0.0000 . 1 . . . . . 552 U H3' . 52279 1 189 . 1 . 1 32 32 U H2' H 1 4.5412 0.0000 . 1 . . . . . 552 U H2' . 52279 1 190 . 1 . 1 32 32 U H1' H 1 5.7311 0.0000 . 1 . . . . . 552 U H1' . 52279 1 191 . 1 . 1 32 32 U H5 H 1 5.6726 0.0000 . 1 . . . . . 552 U H5 . 52279 1 192 . 1 . 1 32 32 U C6 C 13 142.6915 0.0000 . 1 . . . . . 552 U C6 . 52279 1 193 . 1 . 1 32 32 U H6 H 1 8.1196 0.0000 . 1 . . . . . 552 U H6 . 52279 1 194 . 1 . 1 33 33 C H3' H 1 4.4596 0.0000 . 1 . . . . . 1212 C H3' . 52279 1 195 . 1 . 1 33 33 C H2' H 1 4.1998 0.0000 . 1 . . . . . 1212 C H2' . 52279 1 196 . 1 . 1 33 33 C H1' H 1 5.6297 0.0000 . 1 . . . . . 1212 C H1' . 52279 1 197 . 1 . 1 33 33 C H5 H 1 5.7254 0.0000 . 1 . . . . . 1212 C H5 . 52279 1 198 . 1 . 1 33 33 C C6 C 13 142.0447 0.0000 . 1 . . . . . 1212 C C6 . 52279 1 199 . 1 . 1 33 33 C H6 H 1 7.9699 0.0000 . 1 . . . . . 1212 C H6 . 52279 1 200 . 1 . 1 34 34 C H3' H 1 4.2498 0.0000 . 1 . . . . . 1213 C H3' . 52279 1 201 . 1 . 1 34 34 C H2' H 1 4.0617 0.0000 . 1 . . . . . 1213 C H2' . 52279 1 202 . 1 . 1 34 34 C H1' H 1 5.7993 0.0000 . 1 . . . . . 1213 C H1' . 52279 1 203 . 1 . 1 34 34 C H5 H 1 5.5411 0.0000 . 1 . . . . . 1213 C H5 . 52279 1 204 . 1 . 1 34 34 C C6 C 13 141.6324 0.0000 . 1 . . . . . 1213 C C6 . 52279 1 205 . 1 . 1 34 34 C H6 H 1 7.7246 0.0000 . 1 . . . . . 1213 C H6 . 52279 1 stop_ save_