################################### # 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 31077 _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' . . . 31077 1 2 '2D 1H-1H NOESY' . . . 31077 1 3 '2D 1H-15N HSQC' . . . 31077 1 4 '2D 1H-1H TOCSY' . . . 31077 1 5 '2D 1H-13C HSQC' . . . 31077 1 6 '3D 1H-13C NOESY' . . . 31077 1 7 '1H, 15N ARTSY' . . . 31077 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 13.2664 0.0000 . 1 . . . . A 1 G H1 . 31077 1 2 . 1 . 1 1 1 G H1' H 1 5.7298 0.0000 . 1 . . . . A 1 G H1' . 31077 1 3 . 1 . 1 1 1 G H2' H 1 4.4821 0.0000 . 1 . . . . A 1 G H2' . 31077 1 4 . 1 . 1 1 1 G H3' H 1 4.2209 0.0000 . 1 . . . . A 1 G H3' . 31077 1 5 . 1 . 1 1 1 G H4' H 1 4.0748 0.0000 . 1 . . . . A 1 G H4' . 31077 1 6 . 1 . 1 1 1 G H8 H 1 8.1468 0.0000 . 1 . . . . A 1 G H8 . 31077 1 7 . 1 . 1 1 1 G C1' C 13 90.8432 0.0000 . 1 . . . . A 1 G C1' . 31077 1 8 . 1 . 1 1 1 G C8 C 13 139.1591 0.0000 . 1 . . . . A 1 G C8 . 31077 1 9 . 1 . 1 1 1 G N1 N 15 148.0834 0.0000 . 1 . . . . A 1 G N1 . 31077 1 10 . 1 . 1 2 2 C H1' H 1 5.6969 0.0000 . 1 . . . . A 2 C H1' . 31077 1 11 . 1 . 1 2 2 C H5 H 1 5.3703 0.0000 . 1 . . . . A 2 C H5 . 31077 1 12 . 1 . 1 2 2 C H6 H 1 7.8016 0.0000 . 1 . . . . A 2 C H6 . 31077 1 13 . 1 . 1 2 2 C H41 H 1 6.8078 0.0000 . 2 . . . . A 2 C H41 . 31077 1 14 . 1 . 1 2 2 C H42 H 1 8.5761 0.0000 . 2 . . . . A 2 C H42 . 31077 1 15 . 1 . 1 2 2 C C1' C 13 93.9417 0.0000 . 1 . . . . A 2 C C1' . 31077 1 16 . 1 . 1 2 2 C C5 C 13 97.6063 0.0000 . 1 . . . . A 2 C C5 . 31077 1 17 . 1 . 1 2 2 C C6 C 13 141.5921 0.0000 . 1 . . . . A 2 C C6 . 31077 1 18 . 1 . 1 3 3 G H1 H 1 13.1741 0.0000 . 1 . . . . A 3 G H1 . 31077 1 19 . 1 . 1 3 3 G H1' H 1 5.7940 0.0000 . 1 . . . . A 3 G H1' . 31077 1 20 . 1 . 1 3 3 G H2' H 1 4.5934 0.0000 . 1 . . . . A 3 G H2' . 31077 1 21 . 1 . 1 3 3 G H3' H 1 4.5192 0.0000 . 1 . . . . A 3 G H3' . 31077 1 22 . 1 . 1 3 3 G H8 H 1 7.5951 0.0000 . 1 . . . . A 3 G H8 . 31077 1 23 . 1 . 1 3 3 G C1' C 13 92.9157 0.0000 . 1 . . . . A 3 G C1' . 31077 1 24 . 1 . 1 3 3 G C8 C 13 136.1983 0.0000 . 1 . . . . A 3 G C8 . 31077 1 25 . 1 . 1 3 3 G N1 N 15 147.7495 0.0000 . 1 . . . . A 3 G N1 . 31077 1 26 . 1 . 1 4 4 U H1' H 1 5.4985 0.0000 . 1 . . . . A 4 U H1' . 31077 1 27 . 1 . 1 4 4 U H2' H 1 4.4303 0.0000 . 1 . . . . A 4 U H2' . 31077 1 28 . 1 . 1 4 4 U H3 H 1 14.2854 0.0000 . 1 . . . . A 4 U H3 . 31077 1 29 . 1 . 1 4 4 U H3' H 1 4.0893 0.0000 . 1 . . . . A 4 U H3' . 31077 1 30 . 1 . 1 4 4 U H4' H 1 3.9982 0.0000 . 1 . . . . A 4 U H4' . 31077 1 31 . 1 . 1 4 4 U H5 H 1 5.2350 0.0000 . 1 . . . . A 4 U H5 . 31077 1 32 . 1 . 1 4 4 U H6 H 1 7.5734 0.0000 . 1 . . . . A 4 U H6 . 31077 1 33 . 1 . 1 4 4 U C1' C 13 93.4703 0.0000 . 1 . . . . A 4 U C1' . 31077 1 34 . 1 . 1 4 4 U C5 C 13 103.2290 0.0000 . 1 . . . . A 4 U C5 . 31077 1 35 . 1 . 1 4 4 U C6 C 13 140.9843 0.0000 . 1 . . . . A 4 U C6 . 31077 1 36 . 1 . 1 4 4 U N3 N 15 162.9014 0.0000 . 1 . . . . A 4 U N3 . 31077 1 37 . 1 . 1 5 5 U H1' H 1 5.4345 0.0000 . 1 . . . . A 5 U H1' . 31077 1 38 . 1 . 1 5 5 U H2' H 1 4.4242 0.0000 . 1 . . . . A 5 U H2' . 31077 1 39 . 1 . 1 5 5 U H3 H 1 10.1536 0.0000 . 1 . . . . A 5 U H3 . 31077 1 40 . 1 . 1 5 5 U H3' H 1 4.2525 0.0000 . 1 . . . . A 5 U H3' . 31077 1 41 . 1 . 1 5 5 U H4' H 1 4.0982 0.0000 . 1 . . . . A 5 U H4' . 31077 1 42 . 1 . 1 5 5 U H5 H 1 5.5830 0.0000 . 1 . . . . A 5 U H5 . 31077 1 43 . 1 . 1 5 5 U H6 H 1 7.7098 0.0000 . 1 . . . . A 5 U H6 . 31077 1 44 . 1 . 1 5 5 U C1' C 13 94.6923 0.0000 . 1 . . . . A 5 U C1' . 31077 1 45 . 1 . 1 5 5 U C5 C 13 104.1808 0.0000 . 1 . . . . A 5 U C5 . 31077 1 46 . 1 . 1 5 5 U C6 C 13 141.9923 0.0000 . 1 . . . . A 5 U C6 . 31077 1 47 . 1 . 1 5 5 U N3 N 15 156.3644 0.0000 . 1 . . . . A 5 U N3 . 31077 1 48 . 1 . 1 6 6 U H1' H 1 5.6109 0.0000 . 1 . . . . A 6 U H1' . 31077 1 49 . 1 . 1 6 6 U H2' H 1 4.5340 0.0000 . 1 . . . . A 6 U H2' . 31077 1 50 . 1 . 1 6 6 U H3 H 1 13.8708 0.0000 . 1 . . . . A 6 U H3 . 31077 1 51 . 1 . 1 6 6 U H3' H 1 4.2282 0.0000 . 1 . . . . A 6 U H3' . 31077 1 52 . 1 . 1 6 6 U H4' H 1 4.2523 0.0000 . 1 . . . . A 6 U H4' . 31077 1 53 . 1 . 1 6 6 U H5 H 1 5.7022 0.0000 . 1 . . . . A 6 U H5 . 31077 1 54 . 1 . 1 6 6 U H6 H 1 8.0485 0.0000 . 1 . . . . A 6 U H6 . 31077 1 55 . 1 . 1 6 6 U C1' C 13 92.4493 0.0000 . 1 . . . . A 6 U C1' . 31077 1 56 . 1 . 1 6 6 U C5 C 13 103.6437 0.0000 . 1 . . . . A 6 U C5 . 31077 1 57 . 1 . 1 6 6 U C6 C 13 142.6064 0.0000 . 1 . . . . A 6 U C6 . 31077 1 58 . 1 . 1 6 6 U N3 N 15 162.3996 0.0000 . 1 . . . . A 6 U N3 . 31077 1 59 . 1 . 1 7 7 A H1' H 1 5.9760 0.0000 . 1 . . . . A 7 A H1' . 31077 1 60 . 1 . 1 7 7 A H2 H 1 7.1826 0.0000 . 1 . . . . A 7 A H2 . 31077 1 61 . 1 . 1 7 7 A H2' H 1 4.5307 0.0000 . 1 . . . . A 7 A H2' . 31077 1 62 . 1 . 1 7 7 A H8 H 1 8.2016 0.0000 . 1 . . . . A 7 A H8 . 31077 1 63 . 1 . 1 7 7 A H61 H 1 6.4950 0.0000 . 2 . . . . A 7 A H61 . 31077 1 64 . 1 . 1 7 7 A H62 H 1 7.6739 0.0000 . 2 . . . . A 7 A H62 . 31077 1 65 . 1 . 1 7 7 A C1' C 13 92.7802 0.0000 . 1 . . . . A 7 A C1' . 31077 1 66 . 1 . 1 7 7 A C2 C 13 153.4202 0.0000 . 1 . . . . A 7 A C2 . 31077 1 67 . 1 . 1 7 7 A C8 C 13 140.4006 0.0000 . 1 . . . . A 7 A C8 . 31077 1 68 . 1 . 1 8 8 U H1' H 1 5.4480 0.0000 . 1 . . . . A 8 U H1' . 31077 1 69 . 1 . 1 8 8 U H2' H 1 4.4451 0.0000 . 1 . . . . A 8 U H2' . 31077 1 70 . 1 . 1 8 8 U H3 H 1 13.2078 0.0000 . 1 . . . . A 8 U H3 . 31077 1 71 . 1 . 1 8 8 U H3' H 1 4.1560 0.0000 . 1 . . . . A 8 U H3' . 31077 1 72 . 1 . 1 8 8 U H5 H 1 5.0310 0.0000 . 1 . . . . A 8 U H5 . 31077 1 73 . 1 . 1 8 8 U H6 H 1 7.6345 0.0000 . 1 . . . . A 8 U H6 . 31077 1 74 . 1 . 1 8 8 U C1' C 13 93.1666 0.0000 . 1 . . . . A 8 U C1' . 31077 1 75 . 1 . 1 8 8 U C5 C 13 102.9371 0.0000 . 1 . . . . A 8 U C5 . 31077 1 76 . 1 . 1 8 8 U C6 C 13 141.4830 0.0000 . 1 . . . . A 8 U C6 . 31077 1 77 . 1 . 1 8 8 U N3 N 15 161.5438 0.0000 . 1 . . . . A 8 U N3 . 31077 1 78 . 1 . 1 9 9 A H1' H 1 5.9575 0.0000 . 1 . . . . A 9 A H1' . 31077 1 79 . 1 . 1 9 9 A H2 H 1 7.0012 0.0000 . 1 . . . . A 9 A H2 . 31077 1 80 . 1 . 1 9 9 A H2' H 1 4.4208 0.0000 . 1 . . . . A 9 A H2' . 31077 1 81 . 1 . 1 9 9 A H3' H 1 4.5602 0.0000 . 1 . . . . A 9 A H3' . 31077 1 82 . 1 . 1 9 9 A H8 H 1 8.0885 0.0000 . 1 . . . . A 9 A H8 . 31077 1 83 . 1 . 1 9 9 A C1' C 13 92.7845 0.0000 . 1 . . . . A 9 A C1' . 31077 1 84 . 1 . 1 9 9 A C2 C 13 153.1260 0.0000 . 1 . . . . A 9 A C2 . 31077 1 85 . 1 . 1 9 9 A C8 C 13 139.7655 0.0000 . 1 . . . . A 9 A C8 . 31077 1 86 . 1 . 1 10 10 U H1' H 1 5.3805 0.0000 . 1 . . . . A 10 U H1' . 31077 1 87 . 1 . 1 10 10 U H2' H 1 4.2921 0.0000 . 1 . . . . A 10 U H2' . 31077 1 88 . 1 . 1 10 10 U H3 H 1 13.1863 0.0000 . 1 . . . . A 10 U H3 . 31077 1 89 . 1 . 1 10 10 U H5 H 1 5.0310 0.0000 . 1 . . . . A 10 U H5 . 31077 1 90 . 1 . 1 10 10 U H6 H 1 7.5204 0.0000 . 1 . . . . A 10 U H6 . 31077 1 91 . 1 . 1 10 10 U C1' C 13 93.0114 0.0000 . 1 . . . . A 10 U C1' . 31077 1 92 . 1 . 1 10 10 U C5 C 13 102.9371 0.0000 . 1 . . . . A 10 U C5 . 31077 1 93 . 1 . 1 10 10 U C6 C 13 141.0452 0.0000 . 1 . . . . A 10 U C6 . 31077 1 94 . 1 . 1 10 10 U N3 N 15 161.5438 0.0000 . 1 . . . . A 10 U N3 . 31077 1 95 . 1 . 1 11 11 A H1' H 1 5.8282 0.0000 . 1 . . . . A 11 A H1' . 31077 1 96 . 1 . 1 11 11 A H2 H 1 6.7912 0.0000 . 1 . . . . A 11 A H2 . 31077 1 97 . 1 . 1 11 11 A H2' H 1 4.4396 0.0000 . 1 . . . . A 11 A H2' . 31077 1 98 . 1 . 1 11 11 A H8 H 1 7.9042 0.0000 . 1 . . . . A 11 A H8 . 31077 1 99 . 1 . 1 11 11 A C1' C 13 92.2642 0.0000 . 1 . . . . A 11 A C1' . 31077 1 100 . 1 . 1 11 11 A C2 C 13 153.0136 0.0000 . 1 . . . . A 11 A C2 . 31077 1 101 . 1 . 1 11 11 A C8 C 13 139.6819 0.0000 . 1 . . . . A 11 A C8 . 31077 1 102 . 1 . 1 12 12 A H1' H 1 5.6335 0.0000 . 1 . . . . A 12 A H1' . 31077 1 103 . 1 . 1 12 12 A H2 H 1 7.7470 0.0000 . 1 . . . . A 12 A H2 . 31077 1 104 . 1 . 1 12 12 A H2' H 1 4.4673 0.0000 . 1 . . . . A 12 A H2' . 31077 1 105 . 1 . 1 12 12 A H3' H 1 4.2227 0.0000 . 1 . . . . A 12 A H3' . 31077 1 106 . 1 . 1 12 12 A H8 H 1 7.7869 0.0000 . 1 . . . . A 12 A H8 . 31077 1 107 . 1 . 1 12 12 A C1' C 13 90.9706 0.0000 . 1 . . . . A 12 A C1' . 31077 1 108 . 1 . 1 12 12 A C2 C 13 154.8314 0.0000 . 1 . . . . A 12 A C2 . 31077 1 109 . 1 . 1 12 12 A C8 C 13 139.6865 0.0000 . 1 . . . . A 12 A C8 . 31077 1 110 . 1 . 1 13 13 C H1' H 1 5.4981 0.0000 . 1 . . . . A 13 C H1' . 31077 1 111 . 1 . 1 13 13 C H2' H 1 4.1332 0.0000 . 1 . . . . A 13 C H2' . 31077 1 112 . 1 . 1 13 13 C H3' H 1 4.4239 0.0000 . 1 . . . . A 13 C H3' . 31077 1 113 . 1 . 1 13 13 C H5 H 1 5.4787 0.0000 . 1 . . . . A 13 C H5 . 31077 1 114 . 1 . 1 13 13 C H6 H 1 7.4384 0.0000 . 1 . . . . A 13 C H6 . 31077 1 115 . 1 . 1 13 13 C C1' C 13 92.3695 0.0000 . 1 . . . . A 13 C C1' . 31077 1 116 . 1 . 1 13 13 C C5 C 13 98.1096 0.0000 . 1 . . . . A 13 C C5 . 31077 1 117 . 1 . 1 13 13 C C6 C 13 141.6913 0.0000 . 1 . . . . A 13 C C6 . 31077 1 118 . 1 . 1 14 14 A H1' H 1 5.8966 0.0000 . 1 . . . . A 14 A H1' . 31077 1 119 . 1 . 1 14 14 A H2 H 1 7.9012 0.0000 . 1 . . . . A 14 A H2 . 31077 1 120 . 1 . 1 14 14 A H2' H 1 4.5848 0.0000 . 1 . . . . A 14 A H2' . 31077 1 121 . 1 . 1 14 14 A H3' H 1 4.6964 0.0000 . 1 . . . . A 14 A H3' . 31077 1 122 . 1 . 1 14 14 A H4' H 1 4.3833 0.0000 . 1 . . . . A 14 A H4' . 31077 1 123 . 1 . 1 14 14 A H8 H 1 8.1727 0.0000 . 1 . . . . A 14 A H8 . 31077 1 124 . 1 . 1 14 14 A C1' C 13 90.1862 0.0000 . 1 . . . . A 14 A C1' . 31077 1 125 . 1 . 1 14 14 A C2 C 13 155.0931 0.0000 . 1 . . . . A 14 A C2 . 31077 1 126 . 1 . 1 14 14 A C8 C 13 141.8130 0.0000 . 1 . . . . A 14 A C8 . 31077 1 127 . 1 . 1 15 15 U H1' H 1 5.6471 0.0000 . 1 . . . . A 15 U H1' . 31077 1 128 . 1 . 1 15 15 U H2' H 1 4.1634 0.0000 . 1 . . . . A 15 U H2' . 31077 1 129 . 1 . 1 15 15 U H3' H 1 3.9484 0.0000 . 1 . . . . A 15 U H3' . 31077 1 130 . 1 . 1 15 15 U H4' H 1 4.4822 0.0000 . 1 . . . . A 15 U H4' . 31077 1 131 . 1 . 1 15 15 U H5 H 1 5.5786 0.0000 . 1 . . . . A 15 U H5 . 31077 1 132 . 1 . 1 15 15 U H6 H 1 7.5754 0.0000 . 1 . . . . A 15 U H6 . 31077 1 133 . 1 . 1 15 15 U C1' C 13 89.8740 0.0000 . 1 . . . . A 15 U C1' . 31077 1 134 . 1 . 1 15 15 U C5 C 13 105.0611 0.0000 . 1 . . . . A 15 U C5 . 31077 1 135 . 1 . 1 15 15 U C6 C 13 143.2590 0.0000 . 1 . . . . A 15 U C6 . 31077 1 136 . 1 . 1 16 16 G H1' H 1 5.5514 0.0000 . 1 . . . . A 16 G H1' . 31077 1 137 . 1 . 1 16 16 G H2' H 1 4.3262 0.0000 . 1 . . . . A 16 G H2' . 31077 1 138 . 1 . 1 16 16 G H3' H 1 4.1547 0.0000 . 1 . . . . A 16 G H3' . 31077 1 139 . 1 . 1 16 16 G H4' H 1 3.9514 0.0000 . 1 . . . . A 16 G H4' . 31077 1 140 . 1 . 1 16 16 G H8 H 1 7.7783 0.0000 . 1 . . . . A 16 G H8 . 31077 1 141 . 1 . 1 16 16 G C1' C 13 89.5343 0.0000 . 1 . . . . A 16 G C1' . 31077 1 142 . 1 . 1 16 16 G C8 C 13 139.4545 0.0000 . 1 . . . . A 16 G C8 . 31077 1 143 . 1 . 1 17 17 A H1' H 1 5.8553 0.0000 . 1 . . . . A 17 A H1' . 31077 1 144 . 1 . 1 17 17 A H2 H 1 7.8324 0.0000 . 1 . . . . A 17 A H2 . 31077 1 145 . 1 . 1 17 17 A H2' H 1 4.4422 0.0000 . 1 . . . . A 17 A H2' . 31077 1 146 . 1 . 1 17 17 A H3' H 1 4.1472 0.0000 . 1 . . . . A 17 A H3' . 31077 1 147 . 1 . 1 17 17 A H8 H 1 8.1757 0.0000 . 1 . . . . A 17 A H8 . 31077 1 148 . 1 . 1 17 17 A C1' C 13 90.3467 0.0000 . 1 . . . . A 17 A C1' . 31077 1 149 . 1 . 1 17 17 A C2 C 13 154.7733 0.0000 . 1 . . . . A 17 A C2 . 31077 1 150 . 1 . 1 17 17 A C8 C 13 141.8130 0.0000 . 1 . . . . A 17 A C8 . 31077 1 151 . 1 . 1 18 18 A H1' H 1 5.7586 0.0000 . 1 . . . . A 18 A H1' . 31077 1 152 . 1 . 1 18 18 A H2 H 1 7.7678 0.0000 . 1 . . . . A 18 A H2 . 31077 1 153 . 1 . 1 18 18 A H2' H 1 4.6255 0.0000 . 1 . . . . A 18 A H2' . 31077 1 154 . 1 . 1 18 18 A H3' H 1 4.4409 0.0000 . 1 . . . . A 18 A H3' . 31077 1 155 . 1 . 1 18 18 A H8 H 1 8.0292 0.0000 . 1 . . . . A 18 A H8 . 31077 1 156 . 1 . 1 18 18 A C1' C 13 90.8088 0.0000 . 1 . . . . A 18 A C1' . 31077 1 157 . 1 . 1 18 18 A C2 C 13 154.7137 0.0000 . 1 . . . . A 18 A C2 . 31077 1 158 . 1 . 1 18 18 A C8 C 13 140.7830 0.0000 . 1 . . . . A 18 A C8 . 31077 1 159 . 1 . 1 19 19 A H1' H 1 5.8096 0.0000 . 1 . . . . A 19 A H1' . 31077 1 160 . 1 . 1 19 19 A H2 H 1 7.9686 0.0000 . 1 . . . . A 19 A H2 . 31077 1 161 . 1 . 1 19 19 A H2' H 1 4.5927 0.0000 . 1 . . . . A 19 A H2' . 31077 1 162 . 1 . 1 19 19 A H3' H 1 4.5328 0.0000 . 1 . . . . A 19 A H3' . 31077 1 163 . 1 . 1 19 19 A H8 H 1 8.0680 0.0000 . 1 . . . . A 19 A H8 . 31077 1 164 . 1 . 1 19 19 A C1' C 13 90.5890 0.0000 . 1 . . . . A 19 A C1' . 31077 1 165 . 1 . 1 19 19 A C2 C 13 155.0651 0.0000 . 1 . . . . A 19 A C2 . 31077 1 166 . 1 . 1 19 19 A C8 C 13 140.7018 0.0000 . 1 . . . . A 19 A C8 . 31077 1 167 . 1 . 1 20 20 U H1' H 1 5.5012 0.0000 . 1 . . . . A 20 U H1' . 31077 1 168 . 1 . 1 20 20 U H2' H 1 4.5262 0.0000 . 1 . . . . A 20 U H2' . 31077 1 169 . 1 . 1 20 20 U H5 H 1 5.6827 0.0000 . 1 . . . . A 20 U H5 . 31077 1 170 . 1 . 1 20 20 U H6 H 1 7.7942 0.0000 . 1 . . . . A 20 U H6 . 31077 1 171 . 1 . 1 20 20 U C1' C 13 92.8059 0.0000 . 1 . . . . A 20 U C1' . 31077 1 172 . 1 . 1 20 20 U C5 C 13 104.1711 0.0000 . 1 . . . . A 20 U C5 . 31077 1 173 . 1 . 1 20 20 U C6 C 13 142.3656 0.0000 . 1 . . . . A 20 U C6 . 31077 1 174 . 1 . 1 21 21 A H1' H 1 5.9575 0.0000 . 1 . . . . A 21 A H1' . 31077 1 175 . 1 . 1 21 21 A H2 H 1 7.0854 0.0000 . 1 . . . . A 21 A H2 . 31077 1 176 . 1 . 1 21 21 A H2' H 1 4.4932 0.0000 . 1 . . . . A 21 A H2' . 31077 1 177 . 1 . 1 21 21 A H3' H 1 4.1483 0.0000 . 1 . . . . A 21 A H3' . 31077 1 178 . 1 . 1 21 21 A H8 H 1 8.2407 0.0000 . 1 . . . . A 21 A H8 . 31077 1 179 . 1 . 1 21 21 A H61 H 1 6.5649 0.0000 . 2 . . . . A 21 A H61 . 31077 1 180 . 1 . 1 21 21 A H62 H 1 7.4534 0.0000 . 2 . . . . A 21 A H62 . 31077 1 181 . 1 . 1 21 21 A C1' C 13 92.7845 0.0000 . 1 . . . . A 21 A C1' . 31077 1 182 . 1 . 1 21 21 A C2 C 13 153.0294 0.0000 . 1 . . . . A 21 A C2 . 31077 1 183 . 1 . 1 21 21 A C8 C 13 140.4086 0.0000 . 1 . . . . A 21 A C8 . 31077 1 184 . 1 . 1 22 22 U H1' H 1 5.3904 0.0000 . 1 . . . . A 22 U H1' . 31077 1 185 . 1 . 1 22 22 U H2' H 1 4.4084 0.0000 . 1 . . . . A 22 U H2' . 31077 1 186 . 1 . 1 22 22 U H3 H 1 13.1930 0.0000 . 1 . . . . A 22 U H3 . 31077 1 187 . 1 . 1 22 22 U H5 H 1 5.0482 0.0000 . 1 . . . . A 22 U H5 . 31077 1 188 . 1 . 1 22 22 U H6 H 1 7.5855 0.0000 . 1 . . . . A 22 U H6 . 31077 1 189 . 1 . 1 22 22 U C1' C 13 93.0345 0.0000 . 1 . . . . A 22 U C1' . 31077 1 190 . 1 . 1 22 22 U C6 C 13 141.2276 0.0000 . 1 . . . . A 22 U C6 . 31077 1 191 . 1 . 1 22 22 U N3 N 15 161.5438 0.0000 . 1 . . . . A 22 U N3 . 31077 1 192 . 1 . 1 23 23 A H1' H 1 5.9575 0.0000 . 1 . . . . A 23 A H1' . 31077 1 193 . 1 . 1 23 23 A H2 H 1 6.9971 0.0000 . 1 . . . . A 23 A H2 . 31077 1 194 . 1 . 1 23 23 A H8 H 1 8.0656 0.0000 . 1 . . . . A 23 A H8 . 31077 1 195 . 1 . 1 23 23 A C1' C 13 92.7845 0.0000 . 1 . . . . A 23 A C1' . 31077 1 196 . 1 . 1 23 23 A C2 C 13 153.1260 0.0000 . 1 . . . . A 23 A C2 . 31077 1 197 . 1 . 1 23 23 A C8 C 13 139.7655 0.0000 . 1 . . . . A 23 A C8 . 31077 1 198 . 1 . 1 24 24 U H1' H 1 5.3962 0.0000 . 1 . . . . A 24 U H1' . 31077 1 199 . 1 . 1 24 24 U H2' H 1 4.4998 0.0000 . 1 . . . . A 24 U H2' . 31077 1 200 . 1 . 1 24 24 U H3 H 1 12.9576 0.0000 . 1 . . . . A 24 U H3 . 31077 1 201 . 1 . 1 24 24 U H3' H 1 4.1279 0.0000 . 1 . . . . A 24 U H3' . 31077 1 202 . 1 . 1 24 24 U H5 H 1 5.0342 0.0000 . 1 . . . . A 24 U H5 . 31077 1 203 . 1 . 1 24 24 U H6 H 1 7.5568 0.0000 . 1 . . . . A 24 U H6 . 31077 1 204 . 1 . 1 24 24 U C1' C 13 93.0345 0.0000 . 1 . . . . A 24 U C1' . 31077 1 205 . 1 . 1 24 24 U C6 C 13 141.1047 0.0000 . 1 . . . . A 24 U C6 . 31077 1 206 . 1 . 1 24 24 U N3 N 15 160.8682 0.0000 . 1 . . . . A 24 U N3 . 31077 1 207 . 1 . 1 25 25 A H1' H 1 5.9151 0.0000 . 1 . . . . A 25 A H1' . 31077 1 208 . 1 . 1 25 25 A H2 H 1 6.9431 0.0000 . 1 . . . . A 25 A H2 . 31077 1 209 . 1 . 1 25 25 A H8 H 1 7.9469 0.0000 . 1 . . . . A 25 A H8 . 31077 1 210 . 1 . 1 25 25 A H61 H 1 6.5209 0.0000 . 2 . . . . A 25 A H61 . 31077 1 211 . 1 . 1 25 25 A H62 H 1 7.3941 0.0000 . 2 . . . . A 25 A H62 . 31077 1 212 . 1 . 1 25 25 A C1' C 13 92.7855 0.0000 . 1 . . . . A 25 A C1' . 31077 1 213 . 1 . 1 25 25 A C2 C 13 152.6974 0.0000 . 1 . . . . A 25 A C2 . 31077 1 214 . 1 . 1 25 25 A C8 C 13 139.4042 0.0000 . 1 . . . . A 25 A C8 . 31077 1 215 . 1 . 1 26 26 U H1' H 1 5.1128 0.0000 . 1 . . . . A 26 U H1' . 31077 1 216 . 1 . 1 26 26 U H2' H 1 3.9047 0.0000 . 1 . . . . A 26 U H2' . 31077 1 217 . 1 . 1 26 26 U H3 H 1 10.4732 0.0000 . 1 . . . . A 26 U H3 . 31077 1 218 . 1 . 1 26 26 U H3' H 1 4.3882 0.0000 . 1 . . . . A 26 U H3' . 31077 1 219 . 1 . 1 26 26 U H4' H 1 4.0476 0.0000 . 1 . . . . A 26 U H4' . 31077 1 220 . 1 . 1 26 26 U H5 H 1 5.0520 0.0000 . 1 . . . . A 26 U H5 . 31077 1 221 . 1 . 1 26 26 U H6 H 1 7.2230 0.0000 . 1 . . . . A 26 U H6 . 31077 1 222 . 1 . 1 26 26 U C1' C 13 93.8576 0.0000 . 1 . . . . A 26 U C1' . 31077 1 223 . 1 . 1 26 26 U C5 C 13 103.7237 0.0000 . 1 . . . . A 26 U C5 . 31077 1 224 . 1 . 1 26 26 U C6 C 13 140.3380 0.0000 . 1 . . . . A 26 U C6 . 31077 1 225 . 1 . 1 26 26 U N3 N 15 157.1693 0.0000 . 1 . . . . A 26 U N3 . 31077 1 226 . 1 . 1 27 27 A H1' H 1 5.9047 0.0000 . 1 . . . . A 27 A H1' . 31077 1 227 . 1 . 1 27 27 A H2 H 1 7.8025 0.0000 . 1 . . . . A 27 A H2 . 31077 1 228 . 1 . 1 27 27 A H2' H 1 4.1669 0.0000 . 1 . . . . A 27 A H2' . 31077 1 229 . 1 . 1 27 27 A H3' H 1 3.9171 0.0000 . 1 . . . . A 27 A H3' . 31077 1 230 . 1 . 1 27 27 A H4' H 1 4.0553 0.0000 . 1 . . . . A 27 A H4' . 31077 1 231 . 1 . 1 27 27 A H8 H 1 8.2057 0.0000 . 1 . . . . A 27 A H8 . 31077 1 232 . 1 . 1 27 27 A H61 H 1 6.5176 0.0000 . 2 . . . . A 27 A H61 . 31077 1 233 . 1 . 1 27 27 A C1' C 13 90.0664 0.0000 . 1 . . . . A 27 A C1' . 31077 1 234 . 1 . 1 27 27 A C2 C 13 153.8788 0.0000 . 1 . . . . A 27 A C2 . 31077 1 235 . 1 . 1 27 27 A C8 C 13 140.3350 0.0000 . 1 . . . . A 27 A C8 . 31077 1 236 . 1 . 1 28 28 C H1' H 1 5.4584 0.0000 . 1 . . . . A 28 C H1' . 31077 1 237 . 1 . 1 28 28 C H2' H 1 4.4080 0.0000 . 1 . . . . A 28 C H2' . 31077 1 238 . 1 . 1 28 28 C H3' H 1 4.2005 0.0000 . 1 . . . . A 28 C H3' . 31077 1 239 . 1 . 1 28 28 C H4' H 1 4.6008 0.0000 . 1 . . . . A 28 C H4' . 31077 1 240 . 1 . 1 28 28 C H5 H 1 5.1257 0.0000 . 1 . . . . A 28 C H5 . 31077 1 241 . 1 . 1 28 28 C H6 H 1 7.4366 0.0000 . 1 . . . . A 28 C H6 . 31077 1 242 . 1 . 1 28 28 C H41 H 1 6.7523 0.0000 . 2 . . . . A 28 C H41 . 31077 1 243 . 1 . 1 28 28 C H42 H 1 8.3030 0.0000 . 2 . . . . A 28 C H42 . 31077 1 244 . 1 . 1 28 28 C C1' C 13 94.0658 0.0000 . 1 . . . . A 28 C C1' . 31077 1 245 . 1 . 1 28 28 C C5 C 13 97.8191 0.0000 . 1 . . . . A 28 C C5 . 31077 1 246 . 1 . 1 28 28 C C6 C 13 141.3363 0.0000 . 1 . . . . A 28 C C6 . 31077 1 247 . 1 . 1 29 29 G H1 H 1 13.0923 0.0000 . 1 . . . . A 29 G H1 . 31077 1 248 . 1 . 1 29 29 G H1' H 1 5.7611 0.0000 . 1 . . . . A 29 G H1' . 31077 1 249 . 1 . 1 29 29 G H2' H 1 3.9724 0.0000 . 1 . . . . A 29 G H2' . 31077 1 250 . 1 . 1 29 29 G H3' H 1 4.1531 0.0000 . 1 . . . . A 29 G H3' . 31077 1 251 . 1 . 1 29 29 G H4' H 1 4.4009 0.0000 . 1 . . . . A 29 G H4' . 31077 1 252 . 1 . 1 29 29 G H8 H 1 7.5812 0.0000 . 1 . . . . A 29 G H8 . 31077 1 253 . 1 . 1 29 29 G C1' C 13 92.8222 0.0000 . 1 . . . . A 29 G C1' . 31077 1 254 . 1 . 1 29 29 G C8 C 13 136.1983 0.0000 . 1 . . . . A 29 G C8 . 31077 1 255 . 1 . 1 29 29 G N1 N 15 147.3699 0.0000 . 1 . . . . A 29 G N1 . 31077 1 256 . 1 . 1 30 30 C H1' H 1 5.2550 0.0000 . 1 . . . . A 30 C H1' . 31077 1 257 . 1 . 1 30 30 C H2' H 1 4.1519 0.0000 . 1 . . . . A 30 C H2' . 31077 1 258 . 1 . 1 30 30 C H3' H 1 4.3979 0.0000 . 1 . . . . A 30 C H3' . 31077 1 259 . 1 . 1 30 30 C H4' H 1 3.9735 0.0000 . 1 . . . . A 30 C H4' . 31077 1 260 . 1 . 1 30 30 C H5 H 1 5.2752 0.0000 . 1 . . . . A 30 C H5 . 31077 1 261 . 1 . 1 30 30 C H6 H 1 7.5173 0.0000 . 1 . . . . A 30 C H6 . 31077 1 262 . 1 . 1 30 30 C H41 H 1 6.9647 0.0000 . 2 . . . . A 30 C H41 . 31077 1 263 . 1 . 1 30 30 C H42 H 1 8.3589 0.0000 . 2 . . . . A 30 C H42 . 31077 1 264 . 1 . 1 30 30 C C5 C 13 97.7097 0.0000 . 1 . . . . A 30 C C5 . 31077 1 265 . 1 . 1 30 30 C C6 C 13 141.3892 0.0000 . 1 . . . . A 30 C C6 . 31077 1 stop_ save_