################################### # 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 52281 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag4 _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' . . . 52281 1 2 '2D 1H-1H NOESY' . . . 52281 1 3 '2D 1H-1H TOCSY' . . . 52281 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 . . 52281 1 2 $software_2 . . 52281 1 3 $software_3 . . 52281 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 4.7324 0.0000 . 1 . . . . . 1222 G H3' . 52281 1 2 . 1 . 1 1 1 G H2' H 1 4.9128 0.0000 . 1 . . . . . 1222 G H2' . 52281 1 3 . 1 . 1 1 1 G H1' H 1 5.7911 0.0000 . 1 . . . . . 1222 G H1' . 52281 1 4 . 1 . 1 1 1 G C8 C 13 138.8524 0.0000 . 1 . . . . . 1222 G C8 . 52281 1 5 . 1 . 1 1 1 G H8 H 1 8.1461 0.0000 . 1 . . . . . 1222 G H8 . 52281 1 6 . 1 . 1 2 2 G H3' H 1 4.5463 0.0000 . 1 . . . . . 503 G H3' . 52281 1 7 . 1 . 1 2 2 G H2' H 1 4.5117 0.0000 . 1 . . . . . 503 G H2' . 52281 1 8 . 1 . 1 2 2 G H1' H 1 5.8759 0.0000 . 1 . . . . . 503 G H1' . 52281 1 9 . 1 . 1 2 2 G C8 C 13 136.1403 0.0000 . 1 . . . . . 503 G C8 . 52281 1 10 . 1 . 1 2 2 G H8 H 1 7.5960 0.0000 . 1 . . . . . 503 G H8 . 52281 1 11 . 1 . 1 3 3 C H3' H 1 4.5224 0.0000 . 1 . . . . . 504 C H3' . 52281 1 12 . 1 . 1 3 3 C H2' H 1 4.6145 0.0000 . 1 . . . . . 504 C H2' . 52281 1 13 . 1 . 1 3 3 C H1' H 1 5.5167 0.0000 . 1 . . . . . 504 C H1' . 52281 1 14 . 1 . 1 3 3 C H5 H 1 5.2728 0.0000 . 1 . . . . . 504 C H5 . 52281 1 15 . 1 . 1 3 3 C C6 C 13 140.0453 0.0000 . 1 . . . . . 504 C C6 . 52281 1 16 . 1 . 1 3 3 C H6 H 1 7.6045 0.0000 . 1 . . . . . 504 C H6 . 52281 1 17 . 1 . 1 4 4 A H3' H 1 4.6537 0.0000 . 1 . . . . . 505 A H3' . 52281 1 18 . 1 . 1 4 4 A H2' H 1 4.5269 0.0000 . 1 . . . . . 505 A H2' . 52281 1 19 . 1 . 1 4 4 A H1' H 1 5.9167 0.0000 . 1 . . . . . 505 A H1' . 52281 1 20 . 1 . 1 4 4 A C8 C 13 139.2669 0.0000 . 1 . . . . . 505 A C8 . 52281 1 21 . 1 . 1 4 4 A H8 H 1 7.9696 0.0000 . 1 . . . . . 505 A H8 . 52281 1 22 . 1 . 1 4 4 A C2 C 13 152.1570 0.0000 . 1 . . . . . 505 A C2 . 52281 1 23 . 1 . 1 4 4 A H2 H 1 7.0658 0.0000 . 1 . . . . . 505 A H2 . 52281 1 24 . 1 . 1 5 5 G H3' H 1 4.2877 0.0000 . 1 . . . . . 506 G H3' . 52281 1 25 . 1 . 1 5 5 G H2' H 1 4.4319 0.0000 . 1 . . . . . 506 G H2' . 52281 1 26 . 1 . 1 5 5 G H1' H 1 5.6761 0.0000 . 1 . . . . . 506 G H1' . 52281 1 27 . 1 . 1 5 5 G C8 C 13 137.2455 0.0000 . 1 . . . . . 506 G C8 . 52281 1 28 . 1 . 1 5 5 G H8 H 1 7.5303 0.0000 . 1 . . . . . 506 G H8 . 52281 1 29 . 1 . 1 6 6 G H3' H 1 4.5010 0.0000 . 1 . . . . . 507 G H3' . 52281 1 30 . 1 . 1 6 6 G H2' H 1 4.5089 0.0000 . 1 . . . . . 507 G H2' . 52281 1 31 . 1 . 1 6 6 G H1' H 1 5.8080 0.0000 . 1 . . . . . 507 G H1' . 52281 1 32 . 1 . 1 6 6 G C8 C 13 137.7420 0.0000 . 1 . . . . . 507 G C8 . 52281 1 33 . 1 . 1 6 6 G H8 H 1 7.7326 0.0000 . 1 . . . . . 507 G H8 . 52281 1 34 . 1 . 1 7 7 U H3' H 1 4.6371 0.0000 . 1 . . . . . 508 U H3' . 52281 1 35 . 1 . 1 7 7 U H2' H 1 4.5279 0.0000 . 1 . . . . . 508 U H2' . 52281 1 36 . 1 . 1 7 7 U H1' H 1 5.6656 0.0000 . 1 . . . . . 508 U H1' . 52281 1 37 . 1 . 1 7 7 U H5 H 1 5.3162 0.0000 . 1 . . . . . 508 U H5 . 52281 1 38 . 1 . 1 7 7 U C6 C 13 142.0007 0.0000 . 1 . . . . . 508 U C6 . 52281 1 39 . 1 . 1 7 7 U H6 H 1 7.7976 0.0000 . 1 . . . . . 508 U H6 . 52281 1 40 . 1 . 1 8 8 A H3' H 1 4.6656 0.0000 . 1 . . . . . 509 A H3' . 52281 1 41 . 1 . 1 8 8 A H2' H 1 4.7409 0.0000 . 1 . . . . . 509 A H2' . 52281 1 42 . 1 . 1 8 8 A H1' H 1 6.0197 0.0000 . 1 . . . . . 509 A H1' . 52281 1 43 . 1 . 1 8 8 A C8 C 13 139.6595 0.0000 . 1 . . . . . 509 A C8 . 52281 1 44 . 1 . 1 8 8 A H8 H 1 8.1078 0.0000 . 1 . . . . . 509 A H8 . 52281 1 45 . 1 . 1 8 8 A C2 C 13 152.1241 0.0000 . 1 . . . . . 509 A C2 . 52281 1 46 . 1 . 1 8 8 A H2 H 1 6.9284 0.0000 . 1 . . . . . 509 A H2 . 52281 1 47 . 1 . 1 9 9 G H3' H 1 4.3700 0.0000 . 1 . . . . . 510 G H3' . 52281 1 48 . 1 . 1 9 9 G H2' H 1 4.4238 0.0000 . 1 . . . . . 510 G H2' . 52281 1 49 . 1 . 1 9 9 G H1' H 1 5.5058 0.0000 . 1 . . . . . 510 G H1' . 52281 1 50 . 1 . 1 9 9 G C8 C 13 134.9769 0.0000 . 1 . . . . . 510 G C8 . 52281 1 51 . 1 . 1 9 9 G H8 H 1 7.0032 0.0000 . 1 . . . . . 510 G H8 . 52281 1 52 . 1 . 1 10 10 U H3' H 1 4.3461 0.0000 . 1 . . . . . 511 U H3' . 52281 1 53 . 1 . 1 10 10 U H2' H 1 4.2733 0.0000 . 1 . . . . . 511 U H2' . 52281 1 54 . 1 . 1 10 10 U H1' H 1 5.4457 0.0000 . 1 . . . . . 511 U H1' . 52281 1 55 . 1 . 1 10 10 U H5 H 1 5.0981 0.0000 . 1 . . . . . 511 U H5 . 52281 1 56 . 1 . 1 10 10 U C6 C 13 139.2591 0.0000 . 1 . . . . . 511 U C6 . 52281 1 57 . 1 . 1 10 10 U H6 H 1 7.2567 0.0000 . 1 . . . . . 511 U H6 . 52281 1 58 . 1 . 1 11 11 G H3' H 1 4.4705 0.0000 . 1 . . . . . 512 G H3' . 52281 1 59 . 1 . 1 11 11 G H2' H 1 4.5018 0.0000 . 1 . . . . . 512 G H2' . 52281 1 60 . 1 . 1 11 11 G H1' H 1 5.5926 0.0000 . 1 . . . . . 512 G H1' . 52281 1 61 . 1 . 1 11 11 G C8 C 13 137.7181 0.0000 . 1 . . . . . 512 G C8 . 52281 1 62 . 1 . 1 11 11 G H8 H 1 7.8506 0.0000 . 1 . . . . . 512 G H8 . 52281 1 63 . 1 . 1 12 12 U H3' H 1 4.6041 0.0000 . 1 . . . . . 513 U H3' . 52281 1 64 . 1 . 1 12 12 U H2' H 1 4.4425 0.0000 . 1 . . . . . 513 U H2' . 52281 1 65 . 1 . 1 12 12 U H1' H 1 5.3337 0.0000 . 1 . . . . . 513 U H1' . 52281 1 66 . 1 . 1 12 12 U H5 H 1 5.3994 0.0000 . 1 . . . . . 513 U H5 . 52281 1 67 . 1 . 1 12 12 U C6 C 13 141.6082 0.0000 . 1 . . . . . 513 U C6 . 52281 1 68 . 1 . 1 12 12 U H6 H 1 7.4571 0.0000 . 1 . . . . . 513 U H6 . 52281 1 69 . 1 . 1 13 13 U H3' H 1 4.5455 0.0000 . 1 . . . . . 514 U H3' . 52281 1 70 . 1 . 1 13 13 U H2' H 1 4.2368 0.0000 . 1 . . . . . 514 U H2' . 52281 1 71 . 1 . 1 13 13 U H1' H 1 5.7719 0.0000 . 1 . . . . . 514 U H1' . 52281 1 72 . 1 . 1 13 13 U H5 H 1 5.7279 0.0000 . 1 . . . . . 514 U H5 . 52281 1 73 . 1 . 1 13 13 U C6 C 13 142.7898 0.0000 . 1 . . . . . 514 U C6 . 52281 1 74 . 1 . 1 13 13 U H6 H 1 7.7046 0.0000 . 1 . . . . . 514 U H6 . 52281 1 75 . 1 . 1 14 14 U H3' H 1 4.4968 0.0000 . 1 . . . . . 515 U H3' . 52281 1 76 . 1 . 1 14 14 U H2' H 1 4.3162 0.0000 . 1 . . . . . 515 U H2' . 52281 1 77 . 1 . 1 14 14 U H1' H 1 5.6737 0.0000 . 1 . . . . . 515 U H1' . 52281 1 78 . 1 . 1 14 14 U H5 H 1 5.7692 0.0000 . 1 . . . . . 515 U H5 . 52281 1 79 . 1 . 1 14 14 U C6 C 13 142.9157 0.0000 . 1 . . . . . 515 U C6 . 52281 1 80 . 1 . 1 14 14 U H6 H 1 7.6555 0.0000 . 1 . . . . . 515 U H6 . 52281 1 81 . 1 . 1 15 15 A H3' H 1 4.6550 0.0000 . 1 . . . . . 516 A H3' . 52281 1 82 . 1 . 1 15 15 A H2' H 1 4.7412 0.0000 . 1 . . . . . 516 A H2' . 52281 1 83 . 1 . 1 15 15 A H1' H 1 5.8830 0.0000 . 1 . . . . . 516 A H1' . 52281 1 84 . 1 . 1 15 15 A C8 C 13 141.5573 0.0000 . 1 . . . . . 516 A C8 . 52281 1 85 . 1 . 1 15 15 A H8 H 1 8.2185 0.0000 . 1 . . . . . 516 A H8 . 52281 1 86 . 1 . 1 15 15 A C2 C 13 154.4799 0.0000 . 1 . . . . . 516 A C2 . 52281 1 87 . 1 . 1 15 15 A H2 H 1 8.0502 0.0000 . 1 . . . . . 516 A H2 . 52281 1 88 . 1 . 1 16 16 G H3' H 1 4.7771 0.0000 . 1 . . . . . 517 G H3' . 52281 1 89 . 1 . 1 16 16 G H2' H 1 4.7470 0.0000 . 1 . . . . . 517 G H2' . 52281 1 90 . 1 . 1 16 16 G H1' H 1 5.7774 0.0000 . 1 . . . . . 517 G H1' . 52281 1 91 . 1 . 1 16 16 G C8 C 13 139.2669 0.0000 . 1 . . . . . 517 G C8 . 52281 1 92 . 1 . 1 16 16 G H8 H 1 7.8724 0.0000 . 1 . . . . . 517 G H8 . 52281 1 93 . 1 . 1 17 17 U H3' H 1 4.5667 0.0000 . 1 . . . . . 518 U H3' . 52281 1 94 . 1 . 1 17 17 U H2' H 1 4.3580 0.0000 . 1 . . . . . 518 U H2' . 52281 1 95 . 1 . 1 17 17 U H1' H 1 5.8028 0.0000 . 1 . . . . . 518 U H1' . 52281 1 96 . 1 . 1 17 17 U H5 H 1 5.7532 0.0000 . 1 . . . . . 518 U H5 . 52281 1 97 . 1 . 1 17 17 U C6 C 13 142.7898 0.0000 . 1 . . . . . 518 U C6 . 52281 1 98 . 1 . 1 17 17 U H6 H 1 7.7290 0.0000 . 1 . . . . . 518 U H6 . 52281 1 99 . 1 . 1 18 18 U H3' H 1 4.6789 0.0000 . 1 . . . . . 519 U H3' . 52281 1 100 . 1 . 1 18 18 U H2' H 1 4.3629 0.0000 . 1 . . . . . 519 U H2' . 52281 1 101 . 1 . 1 18 18 U H1' H 1 5.8258 0.0000 . 1 . . . . . 519 U H1' . 52281 1 102 . 1 . 1 18 18 U H5 H 1 5.7604 0.0000 . 1 . . . . . 519 U H5 . 52281 1 103 . 1 . 1 18 18 U C6 C 13 142.7898 0.0000 . 1 . . . . . 519 U C6 . 52281 1 104 . 1 . 1 18 18 U H6 H 1 7.7416 0.0000 . 1 . . . . . 519 U H6 . 52281 1 105 . 1 . 1 19 19 A H3' H 1 4.7392 0.0000 . 1 . . . . . 520 A H3' . 52281 1 106 . 1 . 1 19 19 A H2' H 1 4.8605 0.0000 . 1 . . . . . 520 A H2' . 52281 1 107 . 1 . 1 19 19 A H1' H 1 5.9676 0.0000 . 1 . . . . . 520 A H1' . 52281 1 108 . 1 . 1 19 19 A C8 C 13 141.0221 0.0000 . 1 . . . . . 520 A C8 . 52281 1 109 . 1 . 1 19 19 A H8 H 1 8.2074 0.0000 . 1 . . . . . 520 A H8 . 52281 1 110 . 1 . 1 19 19 A C2 C 13 154.0854 0.0000 . 1 . . . . . 520 A C2 . 52281 1 111 . 1 . 1 19 19 A H2 H 1 8.0252 0.0000 . 1 . . . . . 520 A H2 . 52281 1 112 . 1 . 1 20 20 U H3' H 1 4.5568 0.0000 . 1 . . . . . 521 U H3' . 52281 1 113 . 1 . 1 20 20 U H2' H 1 4.5152 0.0000 . 1 . . . . . 521 U H2' . 52281 1 114 . 1 . 1 20 20 U H1' H 1 5.2387 0.0000 . 1 . . . . . 521 U H1' . 52281 1 115 . 1 . 1 20 20 U H5 H 1 5.5455 0.0000 . 1 . . . . . 521 U H5 . 52281 1 116 . 1 . 1 20 20 U C6 C 13 141.3880 0.0000 . 1 . . . . . 521 U C6 . 52281 1 117 . 1 . 1 20 20 U H6 H 1 7.6106 0.0000 . 1 . . . . . 521 U H6 . 52281 1 118 . 1 . 1 21 21 C H3' H 1 4.4806 0.0000 . 1 . . . . . 522 C H3' . 52281 1 119 . 1 . 1 21 21 C H2' H 1 4.4072 0.0000 . 1 . . . . . 522 C H2' . 52281 1 120 . 1 . 1 21 21 C H1' H 1 5.5391 0.0000 . 1 . . . . . 522 C H1' . 52281 1 121 . 1 . 1 21 21 C H5 H 1 5.7417 0.0000 . 1 . . . . . 522 C H5 . 52281 1 122 . 1 . 1 21 21 C C6 C 13 141.5137 0.0000 . 1 . . . . . 522 C C6 . 52281 1 123 . 1 . 1 21 21 C H6 H 1 7.9127 0.0000 . 1 . . . . . 522 C H6 . 52281 1 124 . 1 . 1 22 22 U H3' H 1 4.6144 0.0000 . 1 . . . . . 523 U H3' . 52281 1 125 . 1 . 1 22 22 U H2' H 1 4.6154 0.0000 . 1 . . . . . 523 U H2' . 52281 1 126 . 1 . 1 22 22 U H1' H 1 5.5170 0.0000 . 1 . . . . . 523 U H1' . 52281 1 127 . 1 . 1 22 22 U H5 H 1 5.4685 0.0000 . 1 . . . . . 523 U H5 . 52281 1 128 . 1 . 1 22 22 U C6 C 13 141.2519 0.0000 . 1 . . . . . 523 U C6 . 52281 1 129 . 1 . 1 22 22 U H6 H 1 7.8440 0.0000 . 1 . . . . . 523 U H6 . 52281 1 130 . 1 . 1 23 23 A H3' H 1 4.6049 0.0000 . 1 . . . . . 524 A H3' . 52281 1 131 . 1 . 1 23 23 A H2' H 1 4.4661 0.0000 . 1 . . . . . 524 A H2' . 52281 1 132 . 1 . 1 23 23 A H1' H 1 5.9440 0.0000 . 1 . . . . . 524 A H1' . 52281 1 133 . 1 . 1 23 23 A C8 C 13 139.2451 0.0000 . 1 . . . . . 524 A C8 . 52281 1 134 . 1 . 1 23 23 A H8 H 1 8.1227 0.0000 . 1 . . . . . 524 A H8 . 52281 1 135 . 1 . 1 23 23 A C2 C 13 152.1949 0.0000 . 1 . . . . . 524 A C2 . 52281 1 136 . 1 . 1 23 23 A H2 H 1 7.0237 0.0000 . 1 . . . . . 524 A H2 . 52281 1 137 . 1 . 1 24 24 C H3' H 1 4.3453 0.0000 . 1 . . . . . 525 C H3' . 52281 1 138 . 1 . 1 24 24 C H2' H 1 4.1899 0.0000 . 1 . . . . . 525 C H2' . 52281 1 139 . 1 . 1 24 24 C H1' H 1 5.1888 0.0000 . 1 . . . . . 525 C H1' . 52281 1 140 . 1 . 1 24 24 C H5 H 1 5.2547 0.0000 . 1 . . . . . 525 C H5 . 52281 1 141 . 1 . 1 24 24 C C6 C 13 139.6595 0.0000 . 1 . . . . . 525 C C6 . 52281 1 142 . 1 . 1 24 24 C H6 H 1 7.3470 0.0000 . 1 . . . . . 525 C H6 . 52281 1 143 . 1 . 1 25 25 U H3' H 1 4.4598 0.0000 . 1 . . . . . 526 U H3' . 52281 1 144 . 1 . 1 25 25 U H2' H 1 4.5644 0.0000 . 1 . . . . . 526 U H2' . 52281 1 145 . 1 . 1 25 25 U H1' H 1 5.5029 0.0000 . 1 . . . . . 526 U H1' . 52281 1 146 . 1 . 1 25 25 U H5 H 1 5.4334 0.0000 . 1 . . . . . 526 U H5 . 52281 1 147 . 1 . 1 25 25 U C6 C 13 141.2028 0.0000 . 1 . . . . . 526 U C6 . 52281 1 148 . 1 . 1 25 25 U H6 H 1 7.8515 0.0000 . 1 . . . . . 526 U H6 . 52281 1 149 . 1 . 1 26 26 G H3' H 1 4.5525 0.0000 . 1 . . . . . 527 G H3' . 52281 1 150 . 1 . 1 26 26 G H2' H 1 4.4871 0.0000 . 1 . . . . . 527 G H2' . 52281 1 151 . 1 . 1 26 26 G H1' H 1 5.7256 0.0000 . 1 . . . . . 527 G H1' . 52281 1 152 . 1 . 1 26 26 G C8 C 13 135.7587 0.0000 . 1 . . . . . 527 G C8 . 52281 1 153 . 1 . 1 26 26 G H8 H 1 7.7290 0.0000 . 1 . . . . . 527 G H8 . 52281 1 154 . 1 . 1 27 27 C H3' H 1 4.3550 0.0000 . 1 . . . . . 528 C H3' . 52281 1 155 . 1 . 1 27 27 C H2' H 1 4.2374 0.0000 . 1 . . . . . 528 C H2' . 52281 1 156 . 1 . 1 27 27 C H1' H 1 5.4565 0.0000 . 1 . . . . . 528 C H1' . 52281 1 157 . 1 . 1 27 27 C H5 H 1 5.2013 0.0000 . 1 . . . . . 528 C H5 . 52281 1 158 . 1 . 1 27 27 C C6 C 13 143.1453 0.0000 . 1 . . . . . 528 C C6 . 52281 1 159 . 1 . 1 27 27 C H6 H 1 7.6630 0.0000 . 1 . . . . . 528 C H6 . 52281 1 160 . 1 . 1 28 28 C H3' H 1 4.1350 0.0000 . 1 . . . . . 1223 C H3' . 52281 1 161 . 1 . 1 28 28 C H2' H 1 3.9705 0.0000 . 1 . . . . . 1223 C H2' . 52281 1 162 . 1 . 1 28 28 C H1' H 1 5.7382 0.0000 . 1 . . . . . 1223 C H1' . 52281 1 163 . 1 . 1 28 28 C H5 H 1 5.4682 0.0000 . 1 . . . . . 1223 C H5 . 52281 1 164 . 1 . 1 28 28 C C6 C 13 141.2028 0.0000 . 1 . . . . . 1223 C C6 . 52281 1 165 . 1 . 1 28 28 C H6 H 1 7.6408 0.0000 . 1 . . . . . 1223 C H6 . 52281 1 stop_ save_