################################### # 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 52280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag3 _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' . . . 52280 1 2 '2D 1H-1H TOCSY' . . . 52280 1 3 '2D 1H-1H NOESY' . . . 52280 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 . . 52280 1 2 $software_2 . . 52280 1 3 $software_3 . . 52280 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 4.8331 0.0000 . 1 . . . . . 1214 G H3' . 52280 1 2 . 1 . 1 1 1 G H2' H 1 5.0542 0.0000 . 1 . . . . . 1214 G H2' . 52280 1 3 . 1 . 1 1 1 G H1' H 1 5.9283 0.0000 . 1 . . . . . 1214 G H1' . 52280 1 4 . 1 . 1 1 1 G C8 C 13 139.3493 0.0000 . 1 . . . . . 1214 G C8 . 52280 1 5 . 1 . 1 1 1 G H8 H 1 8.2553 0.0000 . 1 . . . . . 1214 G H8 . 52280 1 6 . 1 . 1 2 2 G H3' H 1 4.5655 0.0000 . 1 . . . . . 1215 G H3' . 52280 1 7 . 1 . 1 2 2 G H2' H 1 4.5655 0.0000 . 1 . . . . . 1215 G H2' . 52280 1 8 . 1 . 1 2 2 G H1' H 1 6.0040 0.0000 . 1 . . . . . 1215 G H1' . 52280 1 9 . 1 . 1 2 2 G C8 C 13 137.4036 0.0000 . 1 . . . . . 1215 G C8 . 52280 1 10 . 1 . 1 2 2 G H8 H 1 7.6428 0.0000 . 1 . . . . . 1215 G H8 . 52280 1 11 . 1 . 1 3 3 U H3' H 1 4.7073 0.0000 . 1 . . . . . 499 U H3' . 52280 1 12 . 1 . 1 3 3 U H2' H 1 4.6416 0.0000 . 1 . . . . . 499 U H2' . 52280 1 13 . 1 . 1 3 3 U H1' H 1 5.6506 0.0000 . 1 . . . . . 499 U H1' . 52280 1 14 . 1 . 1 3 3 U H5 H 1 5.2691 0.0000 . 1 . . . . . 499 U H5 . 52280 1 15 . 1 . 1 3 3 U C6 C 13 141.2716 0.0000 . 1 . . . . . 499 U C6 . 52280 1 16 . 1 . 1 3 3 U H6 H 1 7.8622 0.0000 . 1 . . . . . 499 U H6 . 52280 1 17 . 1 . 1 4 4 A H3' H 1 4.6044 0.0000 . 1 . . . . . 500 A H3' . 52280 1 18 . 1 . 1 4 4 A H2' H 1 4.5671 0.0000 . 1 . . . . . 500 A H2' . 52280 1 19 . 1 . 1 4 4 A H1' H 1 6.1859 0.0000 . 1 . . . . . 500 A H1' . 52280 1 20 . 1 . 1 4 4 A C8 C 13 139.2974 0.0000 . 1 . . . . . 500 A C8 . 52280 1 21 . 1 . 1 4 4 A H8 H 1 8.2054 0.0000 . 1 . . . . . 500 A H8 . 52280 1 22 . 1 . 1 4 4 A C2 C 13 152.5671 0.0000 . 1 . . . . . 500 A C2 . 52280 1 23 . 1 . 1 4 4 A H2 H 1 6.7933 0.0000 . 1 . . . . . 500 A H2 . 52280 1 24 . 1 . 1 5 5 G H3' H 1 4.1755 0.0000 . 1 . . . . . 501 G H3' . 52280 1 25 . 1 . 1 5 5 G H2' H 1 4.4057 0.0000 . 1 . . . . . 501 G H2' . 52280 1 26 . 1 . 1 5 5 G H1' H 1 5.5939 0.0000 . 1 . . . . . 501 G H1' . 52280 1 27 . 1 . 1 5 5 G C8 C 13 136.1687 0.0000 . 1 . . . . . 501 G C8 . 52280 1 28 . 1 . 1 5 5 G H8 H 1 7.0313 0.0000 . 1 . . . . . 501 G H8 . 52280 1 29 . 1 . 1 6 6 U H3' H 1 4.5050 0.0000 . 1 . . . . . 502 U H3' . 52280 1 30 . 1 . 1 6 6 U H2' H 1 4.6009 0.0000 . 1 . . . . . 502 U H2' . 52280 1 31 . 1 . 1 6 6 U H1' H 1 5.5514 0.0000 . 1 . . . . . 502 U H1' . 52280 1 32 . 1 . 1 6 6 U H5 H 1 5.1802 0.0000 . 1 . . . . . 502 U H5 . 52280 1 33 . 1 . 1 6 6 U C6 C 13 140.4794 0.0000 . 1 . . . . . 502 U C6 . 52280 1 34 . 1 . 1 6 6 U H6 H 1 7.6672 0.0000 . 1 . . . . . 502 U H6 . 52280 1 35 . 1 . 1 7 7 G H3' H 1 4.6595 0.0000 . 1 . . . . . 503 G H3' . 52280 1 36 . 1 . 1 7 7 G H2' H 1 4.6044 0.0000 . 1 . . . . . 503 G H2' . 52280 1 37 . 1 . 1 7 7 G H1' H 1 5.8484 0.0000 . 1 . . . . . 503 G H1' . 52280 1 38 . 1 . 1 7 7 G C8 C 13 135.8053 0.0000 . 1 . . . . . 503 G C8 . 52280 1 39 . 1 . 1 7 7 G H8 H 1 7.7406 0.0000 . 1 . . . . . 503 G H8 . 52280 1 40 . 1 . 1 8 8 C H3' H 1 4.5081 0.0000 . 1 . . . . . 504 C H3' . 52280 1 41 . 1 . 1 8 8 C H2' H 1 4.5915 0.0000 . 1 . . . . . 504 C H2' . 52280 1 42 . 1 . 1 8 8 C H1' H 1 5.5489 0.0000 . 1 . . . . . 504 C H1' . 52280 1 43 . 1 . 1 8 8 C H5 H 1 5.3041 0.0000 . 1 . . . . . 504 C H5 . 52280 1 44 . 1 . 1 8 8 C C6 C 13 140.4682 0.0000 . 1 . . . . . 504 C C6 . 52280 1 45 . 1 . 1 8 8 C H6 H 1 7.6789 0.0000 . 1 . . . . . 504 C H6 . 52280 1 46 . 1 . 1 9 9 A H3' H 1 4.7626 0.0000 . 1 . . . . . 505 A H3' . 52280 1 47 . 1 . 1 9 9 A H2' H 1 4.6071 0.0000 . 1 . . . . . 505 A H2' . 52280 1 48 . 1 . 1 9 9 A H1' H 1 5.9802 0.0000 . 1 . . . . . 505 A H1' . 52280 1 49 . 1 . 1 9 9 A C8 C 13 139.7275 0.0000 . 1 . . . . . 505 A C8 . 52280 1 50 . 1 . 1 9 9 A H8 H 1 8.0428 0.0000 . 1 . . . . . 505 A H8 . 52280 1 51 . 1 . 1 9 9 A C2 C 13 152.9726 0.0000 . 1 . . . . . 505 A C2 . 52280 1 52 . 1 . 1 9 9 A H2 H 1 7.1298 0.0000 . 1 . . . . . 505 A H2 . 52280 1 53 . 1 . 1 10 10 G H3' H 1 4.4118 0.0000 . 1 . . . . . 506 G H3' . 52280 1 54 . 1 . 1 10 10 G H2' H 1 4.4118 0.0000 . 1 . . . . . 506 G H2' . 52280 1 55 . 1 . 1 10 10 G H1' H 1 5.7986 0.0000 . 1 . . . . . 506 G H1' . 52280 1 56 . 1 . 1 10 10 G C8 C 13 137.7096 0.0000 . 1 . . . . . 506 G C8 . 52280 1 57 . 1 . 1 10 10 G H8 H 1 7.6540 0.0000 . 1 . . . . . 506 G H8 . 52280 1 58 . 1 . 1 11 11 G H3' H 1 4.4626 0.0000 . 1 . . . . . 507 G H3' . 52280 1 59 . 1 . 1 11 11 G H2' H 1 4.5469 0.0000 . 1 . . . . . 507 G H2' . 52280 1 60 . 1 . 1 11 11 G H1' H 1 5.9453 0.0000 . 1 . . . . . 507 G H1' . 52280 1 61 . 1 . 1 11 11 G C8 C 13 138.5116 0.0000 . 1 . . . . . 507 G C8 . 52280 1 62 . 1 . 1 11 11 G H8 H 1 7.8753 0.0000 . 1 . . . . . 507 G H8 . 52280 1 63 . 1 . 1 12 12 U H3' H 1 4.7623 0.0000 . 1 . . . . . 508 U H3' . 52280 1 64 . 1 . 1 12 12 U H2' H 1 4.6352 0.0000 . 1 . . . . . 508 U H2' . 52280 1 65 . 1 . 1 12 12 U H1' H 1 5.7816 0.0000 . 1 . . . . . 508 U H1' . 52280 1 66 . 1 . 1 12 12 U H5 H 1 5.4461 0.0000 . 1 . . . . . 508 U H5 . 52280 1 67 . 1 . 1 12 12 U C6 C 13 142.7046 0.0000 . 1 . . . . . 508 U C6 . 52280 1 68 . 1 . 1 12 12 U H6 H 1 7.9164 0.0000 . 1 . . . . . 508 U H6 . 52280 1 69 . 1 . 1 13 13 A H3' H 1 4.8168 0.0000 . 1 . . . . . 509 A H3' . 52280 1 70 . 1 . 1 13 13 A H2' H 1 4.6851 0.0000 . 1 . . . . . 509 A H2' . 52280 1 71 . 1 . 1 13 13 A H1' H 1 6.1072 0.0000 . 1 . . . . . 509 A H1' . 52280 1 72 . 1 . 1 13 13 A C8 C 13 140.0658 0.0000 . 1 . . . . . 509 A C8 . 52280 1 73 . 1 . 1 13 13 A H8 H 1 8.2257 0.0000 . 1 . . . . . 509 A H8 . 52280 1 74 . 1 . 1 13 13 A C2 C 13 152.7048 0.0000 . 1 . . . . . 509 A C2 . 52280 1 75 . 1 . 1 13 13 A H2 H 1 6.9479 0.0000 . 1 . . . . . 509 A H2 . 52280 1 76 . 1 . 1 14 14 G H3' H 1 4.5981 0.0000 . 1 . . . . . 510 G H3' . 52280 1 77 . 1 . 1 14 14 G H2' H 1 4.5068 0.0000 . 1 . . . . . 510 G H2' . 52280 1 78 . 1 . 1 14 14 G H1' H 1 5.7563 0.0000 . 1 . . . . . 510 G H1' . 52280 1 79 . 1 . 1 14 14 G C8 C 13 135.3764 0.0000 . 1 . . . . . 510 G C8 . 52280 1 80 . 1 . 1 14 14 G H8 H 1 7.2686 0.0000 . 1 . . . . . 510 G H8 . 52280 1 81 . 1 . 1 15 15 G H3' H 1 4.6243 0.0000 . 1 . . . . . 1216 G H3' . 52280 1 82 . 1 . 1 15 15 G H2' H 1 4.3776 0.0000 . 1 . . . . . 1216 G H2' . 52280 1 83 . 1 . 1 15 15 G H1' H 1 5.7283 0.0000 . 1 . . . . . 1216 G H1' . 52280 1 84 . 1 . 1 15 15 G C8 C 13 135.8134 0.0000 . 1 . . . . . 1216 G C8 . 52280 1 85 . 1 . 1 15 15 G H8 H 1 7.1997 0.0000 . 1 . . . . . 1216 G H8 . 52280 1 86 . 1 . 1 16 16 A H3' H 1 4.4868 0.0000 . 1 . . . . . 1217 A H3' . 52280 1 87 . 1 . 1 16 16 A H2' H 1 4.7303 0.0000 . 1 . . . . . 1217 A H2' . 52280 1 88 . 1 . 1 16 16 A H1' H 1 5.8008 0.0000 . 1 . . . . . 1217 A H1' . 52280 1 89 . 1 . 1 16 16 A C8 C 13 141.6735 0.0000 . 1 . . . . . 1217 A C8 . 52280 1 90 . 1 . 1 16 16 A H8 H 1 8.2891 0.0000 . 1 . . . . . 1217 A H8 . 52280 1 91 . 1 . 1 16 16 A C2 C 13 154.7500 0.0000 . 1 . . . . . 1217 A C2 . 52280 1 92 . 1 . 1 16 16 A H2 H 1 8.0079 0.0000 . 1 . . . . . 1217 A H2 . 52280 1 93 . 1 . 1 17 17 G H3' H 1 4.6372 0.0000 . 1 . . . . . 1218 G H3' . 52280 1 94 . 1 . 1 17 17 G H2' H 1 4.3553 0.0000 . 1 . . . . . 1218 G H2' . 52280 1 95 . 1 . 1 17 17 G H1' H 1 5.2685 0.0000 . 1 . . . . . 1218 G H1' . 52280 1 96 . 1 . 1 17 17 G C8 C 13 137.2728 0.0000 . 1 . . . . . 1218 G C8 . 52280 1 97 . 1 . 1 17 17 G H8 H 1 7.6524 0.0000 . 1 . . . . . 1218 G H8 . 52280 1 98 . 1 . 1 18 18 A H3' H 1 4.9927 0.0000 . 1 . . . . . 1219 A H3' . 52280 1 99 . 1 . 1 18 18 A H2' H 1 4.5873 0.0000 . 1 . . . . . 1219 A H2' . 52280 1 100 . 1 . 1 18 18 A H1' H 1 6.1859 0.0000 . 1 . . . . . 1219 A H1' . 52280 1 101 . 1 . 1 18 18 A C8 C 13 140.3104 0.0000 . 1 . . . . . 1219 A C8 . 52280 1 102 . 1 . 1 18 18 A H8 H 1 8.2319 0.0000 . 1 . . . . . 1219 A H8 . 52280 1 103 . 1 . 1 18 18 A C2 C 13 155.7526 0.0000 . 1 . . . . . 1219 A C2 . 52280 1 104 . 1 . 1 18 18 A H2 H 1 8.3104 0.0000 . 1 . . . . . 1219 A H2 . 52280 1 105 . 1 . 1 19 19 C H3' H 1 4.2633 0.0000 . 1 . . . . . 522 C H3' . 52280 1 106 . 1 . 1 19 19 C H2' H 1 4.3928 0.0000 . 1 . . . . . 522 C H2' . 52280 1 107 . 1 . 1 19 19 C H1' H 1 4.3927 0.0000 . 1 . . . . . 522 C H1' . 52280 1 108 . 1 . 1 19 19 C H5 H 1 6.0929 0.0000 . 1 . . . . . 522 C H5 . 52280 1 109 . 1 . 1 19 19 C C6 C 13 142.0056 0.0000 . 1 . . . . . 522 C C6 . 52280 1 110 . 1 . 1 19 19 C H6 H 1 7.9556 0.0000 . 1 . . . . . 522 C H6 . 52280 1 111 . 1 . 1 20 20 U H3' H 1 4.6711 0.0000 . 1 . . . . . 523 U H3' . 52280 1 112 . 1 . 1 20 20 U H2' H 1 4.4865 0.0000 . 1 . . . . . 523 U H2' . 52280 1 113 . 1 . 1 20 20 U H1' H 1 5.6068 0.0000 . 1 . . . . . 523 U H1' . 52280 1 114 . 1 . 1 20 20 U H5 H 1 5.5721 0.0000 . 1 . . . . . 523 U H5 . 52280 1 115 . 1 . 1 20 20 U C6 C 13 142.0056 0.0000 . 1 . . . . . 523 U C6 . 52280 1 116 . 1 . 1 20 20 U H6 H 1 7.9456 0.0000 . 1 . . . . . 523 U H6 . 52280 1 117 . 1 . 1 21 21 A H3' H 1 4.6106 0.0000 . 1 . . . . . 524 A H3' . 52280 1 118 . 1 . 1 21 21 A H2' H 1 4.4485 0.0000 . 1 . . . . . 524 A H2' . 52280 1 119 . 1 . 1 21 21 A H1' H 1 5.9987 0.0000 . 1 . . . . . 524 A H1' . 52280 1 120 . 1 . 1 21 21 A C8 C 13 139.2794 0.0000 . 1 . . . . . 524 A C8 . 52280 1 121 . 1 . 1 21 21 A H8 H 1 8.1852 0.0000 . 1 . . . . . 524 A H8 . 52280 1 122 . 1 . 1 21 21 A C2 C 13 153.0262 0.0000 . 1 . . . . . 524 A C2 . 52280 1 123 . 1 . 1 21 21 A H2 H 1 7.0708 0.0000 . 1 . . . . . 524 A H2 . 52280 1 124 . 1 . 1 22 22 C H3' H 1 4.4512 0.0000 . 1 . . . . . 525 C H3' . 52280 1 125 . 1 . 1 22 22 C H2' H 1 4.3078 0.0000 . 1 . . . . . 525 C H2' . 52280 1 126 . 1 . 1 22 22 C H1' H 1 5.2396 0.0000 . 1 . . . . . 525 C H1' . 52280 1 127 . 1 . 1 22 22 C H5 H 1 5.3427 0.0000 . 1 . . . . . 525 C H5 . 52280 1 128 . 1 . 1 22 22 C C6 C 13 140.1066 0.0000 . 1 . . . . . 525 C C6 . 52280 1 129 . 1 . 1 22 22 C H6 H 1 7.3904 0.0000 . 1 . . . . . 525 C H6 . 52280 1 130 . 1 . 1 23 23 U H3' H 1 4.5729 0.0000 . 1 . . . . . 526 U H3' . 52280 1 131 . 1 . 1 23 23 U H2' H 1 4.6680 0.0000 . 1 . . . . . 526 U H2' . 52280 1 132 . 1 . 1 23 23 U H1' H 1 5.6025 0.0000 . 1 . . . . . 526 U H1' . 52280 1 133 . 1 . 1 23 23 U H5 H 1 5.5180 0.0000 . 1 . . . . . 526 U H5 . 52280 1 134 . 1 . 1 23 23 U C6 C 13 141.5163 0.0000 . 1 . . . . . 526 U C6 . 52280 1 135 . 1 . 1 23 23 U H6 H 1 7.9340 0.0000 . 1 . . . . . 526 U H6 . 52280 1 136 . 1 . 1 24 24 G H3' H 1 4.6537 0.0000 . 1 . . . . . 527 G H3' . 52280 1 137 . 1 . 1 24 24 G H2' H 1 4.5380 0.0000 . 1 . . . . . 527 G H2' . 52280 1 138 . 1 . 1 24 24 G H1' H 1 5.8036 0.0000 . 1 . . . . . 527 G H1' . 52280 1 139 . 1 . 1 24 24 G C8 C 13 136.1687 0.0000 . 1 . . . . . 527 G C8 . 52280 1 140 . 1 . 1 24 24 G H8 H 1 7.8061 0.0000 . 1 . . . . . 527 G H8 . 52280 1 141 . 1 . 1 25 25 C H3' H 1 4.5913 0.0000 . 1 . . . . . 528 C H3' . 52280 1 142 . 1 . 1 25 25 C H2' H 1 4.6518 0.0000 . 1 . . . . . 528 C H2' . 52280 1 143 . 1 . 1 25 25 C H1' H 1 5.5174 0.0000 . 1 . . . . . 528 C H1' . 52280 1 144 . 1 . 1 25 25 C H5 H 1 5.3128 0.0000 . 1 . . . . . 528 C H5 . 52280 1 145 . 1 . 1 25 25 C C6 C 13 140.5551 0.0000 . 1 . . . . . 528 C C6 . 52280 1 146 . 1 . 1 25 25 C H6 H 1 7.7454 0.0000 . 1 . . . . . 528 C H6 . 52280 1 147 . 1 . 1 26 26 A H3' H 1 4.5847 0.0000 . 1 . . . . . 529 A H3' . 52280 1 148 . 1 . 1 26 26 A H2' H 1 4.6530 0.0000 . 1 . . . . . 529 A H2' . 52280 1 149 . 1 . 1 26 26 A H1' H 1 6.0043 0.0000 . 1 . . . . . 529 A H1' . 52280 1 150 . 1 . 1 26 26 A C8 C 13 139.2794 0.0000 . 1 . . . . . 529 A C8 . 52280 1 151 . 1 . 1 26 26 A H8 H 1 7.9674 0.0000 . 1 . . . . . 529 A H8 . 52280 1 152 . 1 . 1 26 26 A C2 C 13 153.3347 0.0000 . 1 . . . . . 529 A C2 . 52280 1 153 . 1 . 1 26 26 A H2 H 1 7.4406 0.0000 . 1 . . . . . 529 A H2 . 52280 1 154 . 1 . 1 27 27 U H3' H 1 4.4926 0.0000 . 1 . . . . . 530 U H3' . 52280 1 155 . 1 . 1 27 27 U H2' H 1 4.1116 0.0000 . 1 . . . . . 530 U H2' . 52280 1 156 . 1 . 1 27 27 U H1' H 1 5.3704 0.0000 . 1 . . . . . 530 U H1' . 52280 1 157 . 1 . 1 27 27 U H5 H 1 5.4523 0.0000 . 1 . . . . . 530 U H5 . 52280 1 158 . 1 . 1 27 27 U C6 C 13 140.4794 0.0000 . 1 . . . . . 530 U C6 . 52280 1 159 . 1 . 1 27 27 U H6 H 1 7.6627 0.0000 . 1 . . . . . 530 U H6 . 52280 1 160 . 1 . 1 28 28 U H3' H 1 4.5913 0.0000 . 1 . . . . . 531 U H3' . 52280 1 161 . 1 . 1 28 28 U H2' H 1 4.4977 0.0000 . 1 . . . . . 531 U H2' . 52280 1 162 . 1 . 1 28 28 U H1' H 1 5.6227 0.0000 . 1 . . . . . 531 U H1' . 52280 1 163 . 1 . 1 28 28 U H5 H 1 5.6535 0.0000 . 1 . . . . . 531 U H5 . 52280 1 164 . 1 . 1 28 28 U C6 C 13 143.0192 0.0000 . 1 . . . . . 531 U C6 . 52280 1 165 . 1 . 1 28 28 U H6 H 1 8.1102 0.0000 . 1 . . . . . 531 U H6 . 52280 1 166 . 1 . 1 29 29 A H3' H 1 4.7730 0.0000 . 1 . . . . . 532 A H3' . 52280 1 167 . 1 . 1 29 29 A H2' H 1 4.5816 0.0000 . 1 . . . . . 532 A H2' . 52280 1 168 . 1 . 1 29 29 A H1' H 1 6.0828 0.0000 . 1 . . . . . 532 A H1' . 52280 1 169 . 1 . 1 29 29 A C8 C 13 139.6813 0.0000 . 1 . . . . . 532 A C8 . 52280 1 170 . 1 . 1 29 29 A H8 H 1 8.2989 0.0000 . 1 . . . . . 532 A H8 . 52280 1 171 . 1 . 1 29 29 A C2 C 13 153.6690 0.0000 . 1 . . . . . 532 A C2 . 52280 1 172 . 1 . 1 29 29 A H2 H 1 7.2366 0.0000 . 1 . . . . . 532 A H2 . 52280 1 173 . 1 . 1 30 30 C H3' H 1 4.4487 0.0000 . 1 . . . . . 1220 C H3' . 52280 1 174 . 1 . 1 30 30 C H2' H 1 4.1534 0.0000 . 1 . . . . . 1220 C H2' . 52280 1 175 . 1 . 1 30 30 C H1' H 1 5.4706 0.0000 . 1 . . . . . 1220 C H1' . 52280 1 176 . 1 . 1 30 30 C H5 H 1 5.2915 0.0000 . 1 . . . . . 1220 C H5 . 52280 1 177 . 1 . 1 30 30 C C6 C 13 140.8522 0.0000 . 1 . . . . . 1220 C C6 . 52280 1 178 . 1 . 1 30 30 C H6 H 1 7.6377 0.0000 . 1 . . . . . 1220 C H6 . 52280 1 179 . 1 . 1 31 31 C H3' H 1 4.2389 0.0000 . 1 . . . . . 1221 C H3' . 52280 1 180 . 1 . 1 31 31 C H2' H 1 4.0755 0.0000 . 1 . . . . . 1221 C H2' . 52280 1 181 . 1 . 1 31 31 C H1' H 1 5.8291 0.0000 . 1 . . . . . 1221 C H1' . 52280 1 182 . 1 . 1 31 31 C H5 H 1 5.5026 0.0000 . 1 . . . . . 1221 C H5 . 52280 1 183 . 1 . 1 31 31 C C6 C 13 141.6736 0.0000 . 1 . . . . . 1221 C C6 . 52280 1 184 . 1 . 1 31 31 C H6 H 1 7.7089 0.0000 . 1 . . . . . 1221 C H6 . 52280 1 stop_ save_