################################### # 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 52278 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag1 _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' . . . 52278 1 2 '2D 1H-1H TOCSY' . . . 52278 1 3 '2D 1H-1H NOESY' . . . 52278 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 . . 52278 1 2 $software_2 . . 52278 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 H1' H 1 5.9086 0.0000 . 1 . . . . . 1200 G H1' . 52278 1 2 . 1 . 1 1 1 G H2' H 1 5.0355 0.0000 . 1 . . . . . 1200 G H2' . 52278 1 3 . 1 . 1 1 1 G H3' H 1 4.6408 0.0000 . 1 . . . . . 1200 G H3' . 52278 1 4 . 1 . 1 1 1 G H8 H 1 8.2327 0.0000 . 1 . . . . . 1200 G H8 . 52278 1 5 . 1 . 1 1 1 G C8 C 13 139.2693 0.0000 . 1 . . . . . 1200 G C8 . 52278 1 6 . 1 . 1 2 2 G H1' H 1 5.9971 0.0000 . 1 . . . . . 481 G H1' . 52278 1 7 . 1 . 1 2 2 G H2' H 1 4.7743 0.0000 . 1 . . . . . 481 G H2' . 52278 1 8 . 1 . 1 2 2 G H3' H 1 4.6314 0.0000 . 1 . . . . . 481 G H3' . 52278 1 9 . 1 . 1 2 2 G H8 H 1 7.6082 0.0000 . 1 . . . . . 481 G H8 . 52278 1 10 . 1 . 1 2 2 G C8 C 13 136.5718 0.0000 . 1 . . . . . 481 G C8 . 52278 1 11 . 1 . 1 3 3 U H1' H 1 5.5708 0.0000 . 1 . . . . . 482 U H1' . 52278 1 12 . 1 . 1 3 3 U H2' H 1 4.3460 0.0000 . 1 . . . . . 482 U H2' . 52278 1 13 . 1 . 1 3 3 U H3' H 1 4.5378 0.0000 . 1 . . . . . 482 U H3' . 52278 1 14 . 1 . 1 3 3 U H5 H 1 5.5804 0.0000 . 1 . . . . . 482 U H5 . 52278 1 15 . 1 . 1 3 3 U H6 H 1 7.8228 0.0000 . 1 . . . . . 482 U H6 . 52278 1 16 . 1 . 1 3 3 U C6 C 13 140.4875 0.0000 . 1 . . . . . 482 U C6 . 52278 1 17 . 1 . 1 4 4 A H1' H 1 6.0843 0.0000 . 1 . . . . . 483 A H1' . 52278 1 18 . 1 . 1 4 4 A H2 H 1 7.0592 0.0000 . 1 . . . . . 483 A H2 . 52278 1 19 . 1 . 1 4 4 A H2' H 1 4.5867 0.0000 . 1 . . . . . 483 A H2' . 52278 1 20 . 1 . 1 4 4 A H3' H 1 4.6002 0.0000 . 1 . . . . . 483 A H3' . 52278 1 21 . 1 . 1 4 4 A H8 H 1 8.3788 0.0000 . 1 . . . . . 483 A H8 . 52278 1 22 . 1 . 1 4 4 A C2 C 13 152.6147 0.0000 . 1 . . . . . 483 A C2 . 52278 1 23 . 1 . 1 4 4 A C8 C 13 140.7735 0.0000 . 1 . . . . . 483 A C8 . 52278 1 24 . 1 . 1 5 5 G H1' H 1 5.5190 0.0000 . 1 . . . . . 484 G H1' . 52278 1 25 . 1 . 1 5 5 G H2' H 1 4.4373 0.0000 . 1 . . . . . 484 G H2' . 52278 1 26 . 1 . 1 5 5 G H3' H 1 4.1888 0.0000 . 1 . . . . . 484 G H3' . 52278 1 27 . 1 . 1 5 5 G H8 H 1 7.2467 0.0000 . 1 . . . . . 484 G H8 . 52278 1 28 . 1 . 1 5 5 G C8 C 13 135.7887 0.0000 . 1 . . . . . 484 G C8 . 52278 1 29 . 1 . 1 6 6 C H1' H 1 5.5697 0.0000 . 1 . . . . . 485 C H1' . 52278 1 30 . 1 . 1 6 6 C H2' H 1 4.4053 0.0000 . 1 . . . . . 485 C H2' . 52278 1 31 . 1 . 1 6 6 C H3' H 1 4.4737 0.0000 . 1 . . . . . 485 C H3' . 52278 1 32 . 1 . 1 6 6 C H5 H 1 5.3664 0.0000 . 1 . . . . . 485 C H5 . 52278 1 33 . 1 . 1 6 6 C H6 H 1 7.8109 0.0000 . 1 . . . . . 485 C H6 . 52278 1 34 . 1 . 1 6 6 C C6 C 13 140.5000 0.0000 . 1 . . . . . 485 C C6 . 52278 1 35 . 1 . 1 7 7 A H1' H 1 5.9990 0.0000 . 1 . . . . . 486 A H1' . 52278 1 36 . 1 . 1 7 7 A H2 H 1 7.2090 0.0000 . 1 . . . . . 486 A H2 . 52278 1 37 . 1 . 1 7 7 A H2' H 1 4.6538 0.0000 . 1 . . . . . 486 A H2' . 52278 1 38 . 1 . 1 7 7 A H3' H 1 4.5946 0.0000 . 1 . . . . . 486 A H3' . 52278 1 39 . 1 . 1 7 7 A H8 H 1 7.7525 0.0000 . 1 . . . . . 486 A H8 . 52278 1 40 . 1 . 1 7 7 A C2 C 13 153.3600 0.0000 . 1 . . . . . 486 A C2 . 52278 1 41 . 1 . 1 7 7 A C8 C 13 141.0912 0.0000 . 1 . . . . . 486 A C8 . 52278 1 42 . 1 . 1 8 8 C H1' H 1 5.4888 0.0000 . 1 . . . . . 487 C H1' . 52278 1 43 . 1 . 1 8 8 C H2' H 1 4.4586 0.0000 . 1 . . . . . 487 C H2' . 52278 1 44 . 1 . 1 8 8 C H3' H 1 4.4601 0.0000 . 1 . . . . . 487 C H3' . 52278 1 45 . 1 . 1 8 8 C H5 H 1 5.1694 0.0000 . 1 . . . . . 487 C H5 . 52278 1 46 . 1 . 1 8 8 C H6 H 1 7.5509 0.0000 . 1 . . . . . 487 C H6 . 52278 1 47 . 1 . 1 8 8 C C6 C 13 141.1961 0.0000 . 1 . . . . . 487 C C6 . 52278 1 48 . 1 . 1 9 9 U H1' H 1 5.8018 0.0000 . 1 . . . . . 488 U H1' . 52278 1 49 . 1 . 1 9 9 U H2' H 1 4.7202 0.0000 . 1 . . . . . 488 U H2' . 52278 1 50 . 1 . 1 9 9 U H3' H 1 4.4663 0.0000 . 1 . . . . . 488 U H3' . 52278 1 51 . 1 . 1 9 9 U H5 H 1 5.3948 0.0000 . 1 . . . . . 488 U H5 . 52278 1 52 . 1 . 1 9 9 U H6 H 1 7.7839 0.0000 . 1 . . . . . 488 U H6 . 52278 1 53 . 1 . 1 9 9 U C6 C 13 142.0041 0.0000 . 1 . . . . . 488 U C6 . 52278 1 54 . 1 . 1 10 10 A H1' H 1 5.7678 0.0000 . 1 . . . . . 489 A H1' . 52278 1 55 . 1 . 1 10 10 A H2 H 1 7.2491 0.0000 . 1 . . . . . 489 A H2 . 52278 1 56 . 1 . 1 10 10 A H2' H 1 4.6110 0.0000 . 1 . . . . . 489 A H2' . 52278 1 57 . 1 . 1 10 10 A H3' H 1 4.4040 0.0000 . 1 . . . . . 489 A H3' . 52278 1 58 . 1 . 1 10 10 A H8 H 1 8.0403 0.0000 . 1 . . . . . 489 A H8 . 52278 1 59 . 1 . 1 10 10 A C2 C 13 154.0150 0.0000 . 1 . . . . . 489 A C2 . 52278 1 60 . 1 . 1 10 10 A C8 C 13 140.4875 0.0000 . 1 . . . . . 489 A C8 . 52278 1 61 . 1 . 1 11 11 A H1' H 1 5.5170 0.0000 . 1 . . . . . 490 A H1' . 52278 1 62 . 1 . 1 11 11 A H2 H 1 7.0965 0.0000 . 1 . . . . . 490 A H2 . 52278 1 63 . 1 . 1 11 11 A H2' H 1 4.6110 0.0000 . 1 . . . . . 490 A H2' . 52278 1 64 . 1 . 1 11 11 A H3' H 1 4.7295 0.0000 . 1 . . . . . 490 A H3' . 52278 1 65 . 1 . 1 11 11 A H8 H 1 8.0699 0.0000 . 1 . . . . . 490 A H8 . 52278 1 66 . 1 . 1 11 11 A C2 C 13 152.9348 0.0000 . 1 . . . . . 490 A C2 . 52278 1 67 . 1 . 1 11 11 A C8 C 13 140.0773 0.0000 . 1 . . . . . 490 A C8 . 52278 1 68 . 1 . 1 12 12 A H1' H 1 5.8531 0.0000 . 1 . . . . . 491 A H1' . 52278 1 69 . 1 . 1 12 12 A H2 H 1 7.5293 0.0000 . 1 . . . . . 491 A H2 . 52278 1 70 . 1 . 1 12 12 A H2' H 1 4.5951 0.0000 . 1 . . . . . 491 A H2' . 52278 1 71 . 1 . 1 12 12 A H3' H 1 4.5946 0.0000 . 1 . . . . . 491 A H3' . 52278 1 72 . 1 . 1 12 12 A H8 H 1 7.7858 0.0000 . 1 . . . . . 491 A H8 . 52278 1 73 . 1 . 1 12 12 A C2 C 13 153.3749 0.0000 . 1 . . . . . 491 A C2 . 52278 1 74 . 1 . 1 12 12 A C8 C 13 139.3066 0.0000 . 1 . . . . . 491 A C8 . 52278 1 75 . 1 . 1 13 13 G H1' H 1 5.6812 0.0000 . 1 . . . . . 492 G H1' . 52278 1 76 . 1 . 1 13 13 G H2' H 1 4.3474 0.0000 . 1 . . . . . 492 G H2' . 52278 1 77 . 1 . 1 13 13 G H3' H 1 4.3463 0.0000 . 1 . . . . . 492 G H3' . 52278 1 78 . 1 . 1 13 13 G H8 H 1 7.2262 0.0000 . 1 . . . . . 492 G H8 . 52278 1 79 . 1 . 1 13 13 G C8 C 13 135.6520 0.0000 . 1 . . . . . 492 G C8 . 52278 1 80 . 1 . 1 14 14 U H1' H 1 5.6810 0.0000 . 1 . . . . . 493 U H1' . 52278 1 81 . 1 . 1 14 14 U H2' H 1 4.5508 0.0000 . 1 . . . . . 493 U H2' . 52278 1 82 . 1 . 1 14 14 U H3' H 1 4.5060 0.0000 . 1 . . . . . 493 U H3' . 52278 1 83 . 1 . 1 14 14 U H5 H 1 5.0853 0.0000 . 1 . . . . . 493 U H5 . 52278 1 84 . 1 . 1 14 14 U H6 H 1 7.5741 0.0000 . 1 . . . . . 493 U H6 . 52278 1 85 . 1 . 1 14 14 U C6 C 13 140.6740 0.0000 . 1 . . . . . 493 U C6 . 52278 1 86 . 1 . 1 15 15 G H1' H 1 5.7961 0.0000 . 1 . . . . . 1202 G H1' . 52278 1 87 . 1 . 1 15 15 G H2' H 1 4.4473 0.0000 . 1 . . . . . 1202 G H2' . 52278 1 88 . 1 . 1 15 15 G H3' H 1 4.6877 0.0000 . 1 . . . . . 1202 G H3' . 52278 1 89 . 1 . 1 15 15 G H8 H 1 7.6175 0.0000 . 1 . . . . . 1202 G H8 . 52278 1 90 . 1 . 1 15 15 G C8 C 13 136.5718 0.0000 . 1 . . . . . 1202 G C8 . 52278 1 91 . 1 . 1 16 16 A H1' H 1 5.7962 0.0000 . 1 . . . . . 1203 A H1' . 52278 1 92 . 1 . 1 16 16 A H2 H 1 8.0073 0.0000 . 1 . . . . . 1203 A H2 . 52278 1 93 . 1 . 1 16 16 A H2' H 1 4.7202 0.0000 . 1 . . . . . 1203 A H2' . 52278 1 94 . 1 . 1 16 16 A H3' H 1 4.5060 0.0000 . 1 . . . . . 1203 A H3' . 52278 1 95 . 1 . 1 16 16 A H8 H 1 8.2955 0.0000 . 1 . . . . . 1203 A H8 . 52278 1 96 . 1 . 1 16 16 A C2 C 13 154.8815 0.0000 . 1 . . . . . 1203 A C2 . 52278 1 97 . 1 . 1 16 16 A C8 C 13 141.7928 0.0000 . 1 . . . . . 1203 A C8 . 52278 1 98 . 1 . 1 17 17 G H1' H 1 5.3111 0.0000 . 1 . . . . . 1204 G H1' . 52278 1 99 . 1 . 1 17 17 G H2' H 1 4.3228 0.0000 . 1 . . . . . 1204 G H2' . 52278 1 100 . 1 . 1 17 17 G H3' H 1 4.5713 0.0000 . 1 . . . . . 1204 G H3' . 52278 1 101 . 1 . 1 17 17 G H8 H 1 7.6292 0.0000 . 1 . . . . . 1204 G H8 . 52278 1 102 . 1 . 1 17 17 G C8 C 13 137.6782 0.0000 . 1 . . . . . 1204 G C8 . 52278 1 103 . 1 . 1 18 18 A H1' H 1 6.1778 0.0000 . 1 . . . . . 1205 A H1' . 52278 1 104 . 1 . 1 18 18 A H2 H 1 8.2738 0.0000 . 1 . . . . . 1205 A H2 . 52278 1 105 . 1 . 1 18 18 A H2' H 1 4.6814 0.0000 . 1 . . . . . 1205 A H2' . 52278 1 106 . 1 . 1 18 18 A H8 H 1 8.1654 0.0000 . 1 . . . . . 1205 A H8 . 52278 1 107 . 1 . 1 18 18 A C2 C 13 155.7616 0.0000 . 1 . . . . . 1205 A C2 . 52278 1 108 . 1 . 1 18 18 A C8 C 13 140.4875 0.0000 . 1 . . . . . 1205 A C8 . 52278 1 109 . 1 . 1 19 19 A H1' H 1 4.3594 0.0000 . 1 . . . . . 538 A H1' . 52278 1 110 . 1 . 1 19 19 A H2 H 1 7.8924 0.0000 . 1 . . . . . 538 A H2 . 52278 1 111 . 1 . 1 19 19 A H2' H 1 4.7302 0.0000 . 1 . . . . . 538 A H2' . 52278 1 112 . 1 . 1 19 19 A H3' H 1 5.0674 0.0000 . 1 . . . . . 538 A H3' . 52278 1 113 . 1 . 1 19 19 A H8 H 1 8.4535 0.0000 . 1 . . . . . 538 A H8 . 52278 1 114 . 1 . 1 19 19 A C2 C 13 154.1337 0.0000 . 1 . . . . . 538 A C2 . 52278 1 115 . 1 . 1 19 19 A C8 C 13 140.8481 0.0000 . 1 . . . . . 538 A C8 . 52278 1 116 . 1 . 1 20 20 C H1' H 1 5.5620 0.0000 . 1 . . . . . 539 C H1' . 52278 1 117 . 1 . 1 20 20 C H2' H 1 4.3578 0.0000 . 1 . . . . . 539 C H2' . 52278 1 118 . 1 . 1 20 20 C H3' H 1 4.4136 0.0000 . 1 . . . . . 539 C H3' . 52278 1 119 . 1 . 1 20 20 C H5 H 1 5.2733 0.0000 . 1 . . . . . 539 C H5 . 52278 1 120 . 1 . 1 20 20 C H6 H 1 7.5844 0.0000 . 1 . . . . . 539 C H6 . 52278 1 121 . 1 . 1 20 20 C C6 C 13 140.8729 0.0000 . 1 . . . . . 539 C C6 . 52278 1 122 . 1 . 1 21 21 U H1' H 1 5.6455 0.0000 . 1 . . . . . 540 U H1' . 52278 1 123 . 1 . 1 21 21 U H2' H 1 4.4369 0.0000 . 1 . . . . . 540 U H2' . 52278 1 124 . 1 . 1 21 21 U H3' H 1 4.4261 0.0000 . 1 . . . . . 540 U H3' . 52278 1 125 . 1 . 1 21 21 U H5 H 1 5.4158 0.0000 . 1 . . . . . 540 U H5 . 52278 1 126 . 1 . 1 21 21 U H6 H 1 7.9205 0.0000 . 1 . . . . . 540 U H6 . 52278 1 127 . 1 . 1 21 21 U C6 C 13 142.0290 0.0000 . 1 . . . . . 540 U C6 . 52278 1 128 . 1 . 1 22 22 U H1' H 1 5.7756 0.0000 . 1 . . . . . 541 U H1' . 52278 1 129 . 1 . 1 22 22 U H2' H 1 4.5158 0.0000 . 1 . . . . . 541 U H2' . 52278 1 130 . 1 . 1 22 22 U H3' H 1 4.5867 0.0000 . 1 . . . . . 541 U H3' . 52278 1 131 . 1 . 1 22 22 U H5 H 1 5.6051 0.0000 . 1 . . . . . 541 U H5 . 52278 1 132 . 1 . 1 22 22 U H6 H 1 7.8618 0.0000 . 1 . . . . . 541 U H6 . 52278 1 133 . 1 . 1 22 22 U C6 C 13 142.0290 0.0000 . 1 . . . . . 541 U C6 . 52278 1 134 . 1 . 1 23 23 A H1' H 1 5.7066 0.0000 . 1 . . . . . 542 A H1' . 52278 1 135 . 1 . 1 23 23 A H2 H 1 7.2482 0.0000 . 1 . . . . . 542 A H2 . 52278 1 136 . 1 . 1 23 23 A H2' H 1 4.4923 0.0000 . 1 . . . . . 542 A H2' . 52278 1 137 . 1 . 1 23 23 A H3' H 1 4.5955 0.0000 . 1 . . . . . 542 A H3' . 52278 1 138 . 1 . 1 23 23 A H8 H 1 8.1304 0.0000 . 1 . . . . . 542 A H8 . 52278 1 139 . 1 . 1 23 23 A C2 C 13 154.0127 0.0000 . 1 . . . . . 542 A C2 . 52278 1 140 . 1 . 1 23 23 A C8 C 13 140.4005 0.0000 . 1 . . . . . 542 A C8 . 52278 1 141 . 1 . 1 24 24 A H1' H 1 5.7181 0.0000 . 1 . . . . . 543 A H1' . 52278 1 142 . 1 . 1 24 24 A H2 H 1 7.6176 0.0000 . 1 . . . . . 543 A H2 . 52278 1 143 . 1 . 1 24 24 A H2' H 1 4.6060 0.0000 . 1 . . . . . 543 A H2' . 52278 1 144 . 1 . 1 24 24 A H3' H 1 4.5955 0.0000 . 1 . . . . . 543 A H3' . 52278 1 145 . 1 . 1 24 24 A H8 H 1 8.0269 0.0000 . 1 . . . . . 543 A H8 . 52278 1 146 . 1 . 1 24 24 A C2 C 13 154.5367 0.0000 . 1 . . . . . 543 A C2 . 52278 1 147 . 1 . 1 24 24 A C8 C 13 140.8356 0.0000 . 1 . . . . . 543 A C8 . 52278 1 148 . 1 . 1 25 25 A H1' H 1 5.8430 0.0000 . 1 . . . . . 544 A H1' . 52278 1 149 . 1 . 1 25 25 A H2 H 1 7.5362 0.0000 . 1 . . . . . 544 A H2 . 52278 1 150 . 1 . 1 25 25 A H2' H 1 4.8611 0.0000 . 1 . . . . . 544 A H2' . 52278 1 151 . 1 . 1 25 25 A H3' H 1 4.5983 0.0000 . 1 . . . . . 544 A H3' . 52278 1 152 . 1 . 1 25 25 A H8 H 1 8.1812 0.0000 . 1 . . . . . 544 A H8 . 52278 1 153 . 1 . 1 25 25 A C2 C 13 153.7803 0.0000 . 1 . . . . . 544 A C2 . 52278 1 154 . 1 . 1 25 25 A C8 C 13 140.8729 0.0000 . 1 . . . . . 544 A C8 . 52278 1 155 . 1 . 1 26 26 G H1' H 1 5.6391 0.0000 . 1 . . . . . 545 G H1' . 52278 1 156 . 1 . 1 26 26 G H2' H 1 4.4086 0.0000 . 1 . . . . . 545 G H2' . 52278 1 157 . 1 . 1 26 26 G H3' H 1 4.4452 0.0000 . 1 . . . . . 545 G H3' . 52278 1 158 . 1 . 1 26 26 G H8 H 1 7.3328 0.0000 . 1 . . . . . 545 G H8 . 52278 1 159 . 1 . 1 26 26 G C8 C 13 136.4973 0.0000 . 1 . . . . . 545 G C8 . 52278 1 160 . 1 . 1 27 27 U H1' H 1 5.6381 0.0000 . 1 . . . . . 546 U H1' . 52278 1 161 . 1 . 1 27 27 U H2' H 1 4.5393 0.0000 . 1 . . . . . 546 U H2' . 52278 1 162 . 1 . 1 27 27 U H3' H 1 4.5392 0.0000 . 1 . . . . . 546 U H3' . 52278 1 163 . 1 . 1 27 27 U H5 H 1 5.1374 0.0000 . 1 . . . . . 546 U H5 . 52278 1 164 . 1 . 1 27 27 U H6 H 1 7.7530 0.0000 . 1 . . . . . 546 U H6 . 52278 1 165 . 1 . 1 27 27 U C6 C 13 141.6561 0.0000 . 1 . . . . . 546 U C6 . 52278 1 166 . 1 . 1 28 28 A H1' H 1 6.1947 0.0000 . 1 . . . . . 547 A H1' . 52278 1 167 . 1 . 1 28 28 A H2 H 1 7.6161 0.0000 . 1 . . . . . 547 A H2 . 52278 1 168 . 1 . 1 28 28 A H2' H 1 4.6002 0.0000 . 1 . . . . . 547 A H2' . 52278 1 169 . 1 . 1 28 28 A H3' H 1 4.4900 0.0000 . 1 . . . . . 547 A H3' . 52278 1 170 . 1 . 1 28 28 A H8 H 1 8.3795 0.0000 . 1 . . . . . 547 A H8 . 52278 1 171 . 1 . 1 28 28 A C2 C 13 154.5231 0.0000 . 1 . . . . . 547 A C2 . 52278 1 172 . 1 . 1 28 28 A C8 C 13 140.4875 0.0000 . 1 . . . . . 547 A C8 . 52278 1 173 . 1 . 1 29 29 C H1' H 1 5.4604 0.0000 . 1 . . . . . 548 C H1' . 52278 1 174 . 1 . 1 29 29 C H2' H 1 4.2694 0.0000 . 1 . . . . . 548 C H2' . 52278 1 175 . 1 . 1 29 29 C H3' H 1 4.4866 0.0000 . 1 . . . . . 548 C H3' . 52278 1 176 . 1 . 1 29 29 C H5 H 1 5.3991 0.0000 . 1 . . . . . 548 C H5 . 52278 1 177 . 1 . 1 29 29 C H6 H 1 7.6176 0.0000 . 1 . . . . . 548 C H6 . 52278 1 178 . 1 . 1 29 29 C C6 C 13 140.9047 0.0000 . 1 . . . . . 548 C C6 . 52278 1 179 . 1 . 1 30 30 U H1' H 1 5.6818 0.0000 . 1 . . . . . 549 U H1' . 52278 1 180 . 1 . 1 30 30 U H2' H 1 4.6290 0.0000 . 1 . . . . . 549 U H2' . 52278 1 181 . 1 . 1 30 30 U H3' H 1 4.6294 0.0000 . 1 . . . . . 549 U H3' . 52278 1 182 . 1 . 1 30 30 U H5 H 1 5.4602 0.0000 . 1 . . . . . 549 U H5 . 52278 1 183 . 1 . 1 30 30 U H6 H 1 7.9321 0.0000 . 1 . . . . . 549 U H6 . 52278 1 184 . 1 . 1 30 30 U C6 C 13 142.0787 0.0000 . 1 . . . . . 549 U C6 . 52278 1 185 . 1 . 1 31 31 G H1' H 1 5.9123 0.0000 . 1 . . . . . 550 G H1' . 52278 1 186 . 1 . 1 31 31 G H2' H 1 4.5486 0.0000 . 1 . . . . . 550 G H2' . 52278 1 187 . 1 . 1 31 31 G H3' H 1 4.3306 0.0000 . 1 . . . . . 550 G H3' . 52278 1 188 . 1 . 1 31 31 G H8 H 1 7.8298 0.0000 . 1 . . . . . 550 G H8 . 52278 1 189 . 1 . 1 31 31 G C8 C 13 136.9323 0.0000 . 1 . . . . . 550 G C8 . 52278 1 190 . 1 . 1 32 32 C H1' H 1 5.4591 0.0000 . 1 . . . . . 551 C H1' . 52278 1 191 . 1 . 1 32 32 C H2' H 1 4.2242 0.0000 . 1 . . . . . 551 C H2' . 52278 1 192 . 1 . 1 32 32 C H3' H 1 4.4677 0.0000 . 1 . . . . . 551 C H3' . 52278 1 193 . 1 . 1 32 32 C H5 H 1 5.4524 0.0000 . 1 . . . . . 551 C H5 . 52278 1 194 . 1 . 1 32 32 C H6 H 1 7.7882 0.0000 . 1 . . . . . 551 C H6 . 52278 1 195 . 1 . 1 32 32 C C6 C 13 140.8605 0.0000 . 1 . . . . . 551 C C6 . 52278 1 196 . 1 . 1 33 33 C H1' H 1 5.8523 0.0000 . 1 . . . . . 1201 C H1' . 52278 1 197 . 1 . 1 33 33 C H2' H 1 4.0966 0.0000 . 1 . . . . . 1201 C H2' . 52278 1 198 . 1 . 1 33 33 C H3' H 1 4.2325 0.0000 . 1 . . . . . 1201 C H3' . 52278 1 199 . 1 . 1 33 33 C H5 H 1 5.5676 0.0000 . 1 . . . . . 1201 C H5 . 52278 1 200 . 1 . 1 33 33 C H6 H 1 7.7437 0.0000 . 1 . . . . . 1201 C H6 . 52278 1 201 . 1 . 1 33 33 C C6 C 13 141.6561 0.0000 . 1 . . . . . 1201 C C6 . 52278 1 stop_ save_