################################### # 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 30512 _Assigned_chem_shift_list.ID 1 _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' . . . 30512 1 2 '2D 1H-15N HSQC' . . . 30512 1 3 '2D 1H-13C HSQC' . . . 30512 1 4 '2D 1H-1H NOESY' . . . 30512 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 3 $software_3 . . 30512 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 11.7423 . . 1 . . . . A 24 G H1 . 30512 1 2 . 1 1 1 1 G H1' H 1 5.5422 . . 1 . . . . A 24 G H1' . 30512 1 3 . 1 1 1 1 G H2' H 1 4.6704 . . 1 . . . . A 24 G H2' . 30512 1 4 . 1 1 1 1 G H8 H 1 7.8907 . . 1 . . . . A 24 G H8 . 30512 1 5 . 1 1 1 1 G C1' C 13 90.4248 . . 1 . . . . A 24 G C1' . 30512 1 6 . 1 1 2 2 G H1 H 1 12.4721 . . 1 . . . . A 25 G H1 . 30512 1 7 . 1 1 2 2 G H1' H 1 5.6658 . . 1 . . . . A 25 G H1' . 30512 1 8 . 1 1 2 2 G H8 H 1 7.2424 . . 1 . . . . A 25 G H8 . 30512 1 9 . 1 1 2 2 G C8 C 13 139.2752 . . 1 . . . . A 25 G C8 . 30512 1 10 . 1 1 2 2 G N1 N 15 149.6525 . . 1 . . . . A 25 G N1 . 30512 1 11 . 1 1 3 3 G H1 H 1 12.1031 . . 1 . . . . A 26 G H1 . 30512 1 12 . 1 1 3 3 G H1' H 1 5.4961 . . 1 . . . . A 26 G H1' . 30512 1 13 . 1 1 3 3 G H8 H 1 6.9488 . . 1 . . . . A 26 G H8 . 30512 1 14 . 1 1 3 3 G C8 C 13 139.3044 . . 1 . . . . A 26 G C8 . 30512 1 15 . 1 1 3 3 G N1 N 15 149.0752 . . 1 . . . . A 26 G N1 . 30512 1 16 . 1 1 4 4 A H1' H 1 5.7127 . . 1 . . . . A 27 A H1' . 30512 1 17 . 1 1 4 4 A H2 H 1 7.5747 . . 1 . . . . A 27 A H2 . 30512 1 18 . 1 1 4 4 A H8 H 1 7.3922 . . 1 . . . . A 27 A H8 . 30512 1 19 . 1 1 4 4 A C1' C 13 90.4958 . . 1 . . . . A 27 A C1' . 30512 1 20 . 1 1 4 4 A C2 C 13 154.0868 . . 1 . . . . A 27 A C2 . 30512 1 21 . 1 1 4 4 A C8 C 13 140.8452 . . 1 . . . . A 27 A C8 . 30512 1 22 . 1 1 5 5 U H1' H 1 5.0378 . . 1 . . . . A 28 U H1' . 30512 1 23 . 1 1 5 5 U H3 H 1 11.6165 . . 1 . . . . A 28 U H3 . 30512 1 24 . 1 1 5 5 U H5 H 1 5.0445 . . 1 . . . . A 28 U H5 . 30512 1 25 . 1 1 5 5 U H6 H 1 7.2769 . . 1 . . . . A 28 U H6 . 30512 1 26 . 1 1 5 5 U C6 C 13 137.9798 . . 1 . . . . A 28 U C6 . 30512 1 27 . 1 1 5 5 U N3 N 15 157.1924 . . 1 . . . . A 28 U N3 . 30512 1 28 . 1 1 6 6 C H1' H 1 5.3303 . . 1 . . . . A 29 C H1' . 30512 1 29 . 1 1 6 6 C H5 H 1 5.3354 . . 1 . . . . A 29 C H5 . 30512 1 30 . 1 1 6 6 C H6 H 1 7.4815 . . 1 . . . . A 29 C H6 . 30512 1 31 . 1 1 6 6 C H41 H 1 8.1576 . . 2 . . . . A 29 C H41 . 30512 1 32 . 1 1 6 6 C H42 H 1 6.6078 . . 2 . . . . A 29 C H42 . 30512 1 33 . 1 1 7 7 U H1' H 1 5.2462 . . 1 . . . . A 30 U H1' . 30512 1 34 . 1 1 7 7 U H3 H 1 11.4164 . . 1 . . . . A 30 U H3 . 30512 1 35 . 1 1 7 7 U H5 H 1 5.1657 . . 1 . . . . A 30 U H5 . 30512 1 36 . 1 1 7 7 U H6 H 1 7.4095 . . 1 . . . . A 30 U H6 . 30512 1 37 . 1 1 7 7 U C6 C 13 139.1252 . . 1 . . . . A 30 U C6 . 30512 1 38 . 1 1 7 7 U N3 N 15 156.0179 . . 1 . . . . A 30 U N3 . 30512 1 39 . 1 1 8 8 G H1 H 1 12.2934 . . 1 . . . . A 31 G H1 . 30512 1 40 . 1 1 8 8 G H1' H 1 5.4659 . . 1 . . . . A 31 G H1' . 30512 1 41 . 1 1 8 8 G H8 H 1 7.5369 . . 1 . . . . A 31 G H8 . 30512 1 42 . 1 1 8 8 G C8 C 13 142.8938 . . 1 . . . . A 31 G C8 . 30512 1 43 . 1 1 8 8 G N1 N 15 150.9694 . . 1 . . . . A 31 G N1 . 30512 1 44 . 1 1 9 9 U H1' H 1 5.252 . . 1 . . . . A 32 U H1' . 30512 1 45 . 1 1 9 9 U H3 H 1 11.8566 . . 1 . . . . A 32 U H3 . 30512 1 46 . 1 1 9 9 U H5 H 1 5.1116 . . 1 . . . . A 32 U H5 . 30512 1 47 . 1 1 9 9 U H6 H 1 7.3914 . . 1 . . . . A 32 U H6 . 30512 1 48 . 1 1 9 9 U C6 C 13 143.8929 . . 1 . . . . A 32 U C6 . 30512 1 49 . 1 1 9 9 U N3 N 15 157.0322 . . 1 . . . . A 32 U N3 . 30512 1 50 . 1 1 10 10 C H1' H 1 5.3966 . . 1 . . . . A 33 C H1' . 30512 1 51 . 1 1 10 10 C H5 H 1 5.2755 . . 1 . . . . A 33 C H5 . 30512 1 52 . 1 1 10 10 C H6 H 1 7.534 . . 1 . . . . A 33 C H6 . 30512 1 53 . 1 1 10 10 C H41 H 1 8.0706 . . 2 . . . . A 33 C H41 . 30512 1 54 . 1 1 10 10 C H42 H 1 6.1764 . . 2 . . . . A 33 C H42 . 30512 1 55 . 1 1 11 11 A H1' H 1 5.5104 . . 1 . . . . A 34 A H1' . 30512 1 56 . 1 1 11 11 A H2 H 1 7.8334 . . 1 . . . . A 34 A H2 . 30512 1 57 . 1 1 11 11 A H8 H 1 7.8449 . . 1 . . . . A 34 A H8 . 30512 1 58 . 1 1 11 11 A C1' C 13 92.3246 . . 1 . . . . A 34 A C1' . 30512 1 59 . 1 1 11 11 A C2 C 13 153.9452 . . 1 . . . . A 34 A C2 . 30512 1 60 . 1 1 12 12 C H1' H 1 4.9316 . . 1 . . . . A 35 C H1' . 30512 1 61 . 1 1 12 12 C H5 H 1 4.9615 . . 1 . . . . A 35 C H5 . 30512 1 62 . 1 1 12 12 C H6 H 1 7.0538 . . 1 . . . . A 35 C H6 . 30512 1 63 . 1 1 12 12 C H41 H 1 8.2575 . . 2 . . . . A 35 C H41 . 30512 1 64 . 1 1 13 13 C H1' H 1 5.1622 . . 1 . . . . A 36 C H1' . 30512 1 65 . 1 1 13 13 C H5 H 1 5.2143 . . 1 . . . . A 36 C H5 . 30512 1 66 . 1 1 13 13 C H6 H 1 7.0722 . . 1 . . . . A 36 C H6 . 30512 1 67 . 1 1 13 13 C H41 H 1 7.961 . . 2 . . . . A 36 C H41 . 30512 1 68 . 1 1 13 13 C H42 H 1 6.8148 . . 2 . . . . A 36 C H42 . 30512 1 69 . 1 1 14 14 C H1' H 1 5.1305 . . 1 . . . . A 37 C H1' . 30512 1 70 . 1 1 14 14 C H5 H 1 5.19 . . 1 . . . . A 37 C H5 . 30512 1 71 . 1 1 14 14 C H6 H 1 7.5362 . . 1 . . . . A 37 C H6 . 30512 1 72 . 1 1 14 14 C H41 H 1 8.1844 . . 2 . . . . A 37 C H41 . 30512 1 73 . 1 1 14 14 C H42 H 1 6.8125 . . 2 . . . . A 37 C H42 . 30512 1 74 . 1 1 15 15 C H1' H 1 5.167 . . 1 . . . . A 38 C H1' . 30512 1 75 . 1 1 15 15 C H5 H 1 5.2135 . . 1 . . . . A 38 C H5 . 30512 1 76 . 1 1 15 15 C H6 H 1 7.3899 . . 1 . . . . A 38 C H6 . 30512 1 77 . 1 1 15 15 C H41 H 1 7.8601 . . 2 . . . . A 38 C H41 . 30512 1 78 . 1 1 15 15 C H42 H 1 6.5374 . . 2 . . . . A 38 C H42 . 30512 1 79 . 1 1 16 16 A H1' H 1 5.5294 . . 1 . . . . A 39 A H1' . 30512 1 80 . 1 1 16 16 A H8 H 1 7.6113 . . 1 . . . . A 39 A H8 . 30512 1 81 . 1 1 16 16 A C1' C 13 91.35 . . 1 . . . . A 39 A C1' . 30512 1 82 . 1 1 17 17 U H1' H 1 5.2515 . . 1 . . . . A 40 U H1' . 30512 1 83 . 1 1 17 17 U H3 H 1 11.4535 . . 1 . . . . A 40 U H3 . 30512 1 84 . 1 1 17 17 U H5 H 1 4.9687 . . 1 . . . . A 40 U H5 . 30512 1 85 . 1 1 17 17 U H6 H 1 7.082 . . 1 . . . . A 40 U H6 . 30512 1 86 . 1 1 17 17 U C5 C 13 110.2669 . . 1 . . . . A 40 U C5 . 30512 1 87 . 1 1 17 17 U N3 N 15 155.2704 . . 1 . . . . A 40 U N3 . 30512 1 88 . 1 1 18 18 U H1' H 1 5.3448 . . 1 . . . . A 41 U H1' . 30512 1 89 . 1 1 18 18 U H5 H 1 5.5019 . . 1 . . . . A 41 U H5 . 30512 1 90 . 1 1 18 18 U H6 H 1 7.5705 . . 1 . . . . A 41 U H6 . 30512 1 91 . 1 1 18 18 U C6 C 13 144.7306 . . 1 . . . . A 41 U C6 . 30512 1 92 . 1 1 19 19 G H1 H 1 12.2497 . . 1 . . . . A 42 G H1 . 30512 1 93 . 1 1 19 19 G H1' H 1 5.6301 . . 1 . . . . A 42 G H1' . 30512 1 94 . 1 1 19 19 G H8 H 1 7.5298 . . 1 . . . . A 42 G H8 . 30512 1 95 . 1 1 19 19 G C8 C 13 142.8186 . . 1 . . . . A 42 G C8 . 30512 1 96 . 1 1 19 19 G N1 N 15 149.3956 . . 1 . . . . A 42 G N1 . 30512 1 97 . 1 1 20 20 A H1' H 1 5.7559 . . 1 . . . . A 43 A H1' . 30512 1 98 . 1 1 20 20 A H2 H 1 7.5106 . . 1 . . . . A 43 A H2 . 30512 1 99 . 1 1 20 20 A H8 H 1 7.6011 . . 1 . . . . A 43 A H8 . 30512 1 100 . 1 1 20 20 A C1' C 13 92.0074 . . 1 . . . . A 43 A C1' . 30512 1 101 . 1 1 20 20 A C2 C 13 153.6798 . . 1 . . . . A 43 A C2 . 30512 1 102 . 1 1 21 21 U H1' H 1 5.2843 . . 1 . . . . A 44 U H1' . 30512 1 103 . 1 1 21 21 U H3 H 1 13.7981 . . 1 . . . . A 44 U H3 . 30512 1 104 . 1 1 21 21 U H5 H 1 4.7094 . . 1 . . . . A 44 U H5 . 30512 1 105 . 1 1 21 21 U H6 H 1 7.3566 . . 1 . . . . A 44 U H6 . 30512 1 106 . 1 1 21 21 U C6 C 13 142.1932 . . 1 . . . . A 44 U C6 . 30512 1 107 . 1 1 21 21 U N3 N 15 164.56 . . 1 . . . . A 44 U N3 . 30512 1 108 . 1 1 22 22 C H1' H 1 5.2957 . . 1 . . . . A 45 C H1' . 30512 1 109 . 1 1 22 22 C H5 H 1 5.3369 . . 1 . . . . A 45 C H5 . 30512 1 110 . 1 1 22 22 C H6 H 1 7.4444 . . 1 . . . . A 45 C H6 . 30512 1 111 . 1 1 22 22 C H41 H 1 8.0121 . . 2 . . . . A 45 C H41 . 30512 1 112 . 1 1 22 22 C H42 H 1 6.5254 . . 2 . . . . A 45 C H42 . 30512 1 113 . 1 1 23 23 G H1 H 1 12.3364 . . 1 . . . . A 46 G H1 . 30512 1 114 . 1 1 23 23 G H1' H 1 5.3269 . . 1 . . . . A 46 G H1' . 30512 1 115 . 1 1 23 23 G H8 H 1 7.2792 . . 1 . . . . A 46 G H8 . 30512 1 116 . 1 1 23 23 G C8 C 13 141.8718 . . 1 . . . . A 46 G C8 . 30512 1 117 . 1 1 23 23 G N1 N 15 149.9308 . . 1 . . . . A 46 G N1 . 30512 1 118 . 1 1 24 24 C H1' H 1 5.1673 . . 1 . . . . A 47 C H1' . 30512 1 119 . 1 1 24 24 C H5 H 1 4.9972 . . 1 . . . . A 47 C H5 . 30512 1 120 . 1 1 24 24 C H6 H 1 7.4423 . . 1 . . . . A 47 C H6 . 30512 1 121 . 1 1 24 24 C H41 H 1 8.2412 . . 2 . . . . A 47 C H41 . 30512 1 122 . 1 1 24 24 C H42 H 1 6.7269 . . 2 . . . . A 47 C H42 . 30512 1 123 . 1 1 25 25 C H1' H 1 5.4 . . 1 . . . . A 48 C H1' . 30512 1 124 . 1 1 25 25 C H5 H 1 5.1676 . . 1 . . . . A 48 C H5 . 30512 1 125 . 1 1 25 25 C H6 H 1 7.4573 . . 1 . . . . A 48 C H6 . 30512 1 126 . 1 1 25 25 C H41 H 1 8.0747 . . 2 . . . . A 48 C H41 . 30512 1 127 . 1 1 25 25 C H42 H 1 6.7245 . . 2 . . . . A 48 C H42 . 30512 1 128 . 1 1 26 26 G H1 H 1 10.1812 . . 1 . . . . A 49 G H1 . 30512 1 129 . 1 1 26 26 G H1' H 1 5.3775 . . 1 . . . . A 49 G H1' . 30512 1 130 . 1 1 26 26 G H8 H 1 7.2169 . . 1 . . . . A 49 G H8 . 30512 1 131 . 1 1 26 26 G C8 C 13 144.1548 . . 1 . . . . A 49 G C8 . 30512 1 132 . 1 1 26 26 G N1 N 15 145.845 . . 1 . . . . A 49 G N1 . 30512 1 133 . 1 1 27 27 A H1' H 1 5.4097 . . 1 . . . . A 50 A H1' . 30512 1 134 . 1 1 27 27 A H2 H 1 7.7841 . . 1 . . . . A 50 A H2 . 30512 1 135 . 1 1 27 27 A H8 H 1 7.9729 . . 1 . . . . A 50 A H8 . 30512 1 136 . 1 1 27 27 A C1' C 13 90.8949 . . 1 . . . . A 50 A C1' . 30512 1 137 . 1 1 27 27 A C2 C 13 154.0856 . . 1 . . . . A 50 A C2 . 30512 1 138 . 1 1 27 27 A C8 C 13 139.9638 . . 1 . . . . A 50 A C8 . 30512 1 139 . 1 1 28 28 G H1 H 1 10.2883 . . 1 . . . . A 51 G H1 . 30512 1 140 . 1 1 28 28 G H1' H 1 4.6683 . . 1 . . . . A 51 G H1' . 30512 1 141 . 1 1 28 28 G H8 H 1 7.371 . . 1 . . . . A 51 G H8 . 30512 1 142 . 1 1 28 28 G N1 N 15 148.5802 . . 1 . . . . A 51 G N1 . 30512 1 143 . 1 1 29 29 A H1' H 1 5.7998 . . 1 . . . . A 52 A H1' . 30512 1 144 . 1 1 29 29 A H2 H 1 7.9489 . . 1 . . . . A 52 A H2 . 30512 1 145 . 1 1 29 29 A H8 H 1 7.7433 . . 1 . . . . A 52 A H8 . 30512 1 146 . 1 1 29 29 A C1' C 13 90.2264 . . 1 . . . . A 52 A C1' . 30512 1 147 . 1 1 29 29 A C2 C 13 155.6568 . . 1 . . . . A 52 A C2 . 30512 1 148 . 1 1 29 29 A C8 C 13 138.3734 . . 1 . . . . A 52 A C8 . 30512 1 149 . 1 1 30 30 G H1 H 1 12.2206 . . 1 . . . . A 60 G H1 . 30512 1 150 . 1 1 30 30 G H1' H 1 4.9086 . . 1 . . . . A 60 G H1' . 30512 1 151 . 1 1 30 30 G H8 H 1 7.575 . . 1 . . . . A 60 G H8 . 30512 1 152 . 1 1 30 30 G C8 C 13 136.9167 . . 1 . . . . A 60 G C8 . 30512 1 153 . 1 1 30 30 G N1 N 15 148.3234 . . 1 . . . . A 60 G N1 . 30512 1 154 . 1 1 31 31 G H1 H 1 13.0162 . . 1 . . . . A 61 G H1 . 30512 1 155 . 1 1 31 31 G H1' H 1 5.5055 . . 1 . . . . A 61 G H1' . 30512 1 156 . 1 1 31 31 G H8 H 1 6.8827 . . 1 . . . . A 61 G H8 . 30512 1 157 . 1 1 31 31 G C8 C 13 139.1652 . . 1 . . . . A 61 G C8 . 30512 1 158 . 1 1 31 31 G N1 N 15 151.4777 . . 1 . . . . A 61 G N1 . 30512 1 159 . 1 1 32 32 C H1' H 1 5.4442 . . 1 . . . . A 62 C H1' . 30512 1 160 . 1 1 32 32 C H5 H 1 4.922 . . 1 . . . . A 62 C H5 . 30512 1 161 . 1 1 32 32 C H6 H 1 7.1558 . . 1 . . . . A 62 C H6 . 30512 1 162 . 1 1 32 32 C H41 H 1 8.3206 . . 2 . . . . A 62 C H41 . 30512 1 163 . 1 1 33 33 U H1' H 1 5.1672 . . 1 . . . . A 63 U H1' . 30512 1 164 . 1 1 33 33 U H3 H 1 10.3869 . . 1 . . . . A 63 U H3 . 30512 1 165 . 1 1 33 33 U H5 H 1 5.5031 . . 1 . . . . A 63 U H5 . 30512 1 166 . 1 1 33 33 U H6 H 1 7.5744 . . 1 . . . . A 63 U H6 . 30512 1 167 . 1 1 33 33 U C6 C 13 144.8848 . . 1 . . . . A 63 U C6 . 30512 1 168 . 1 1 33 33 U N3 N 15 151.4264 . . 1 . . . . A 63 U N3 . 30512 1 169 . 1 1 34 34 G H1 H 1 12.088 . . 1 . . . . A 64 G H1 . 30512 1 170 . 1 1 34 34 G H1' H 1 5.5018 . . 1 . . . . A 64 G H1' . 30512 1 171 . 1 1 34 34 G H8 H 1 7.4728 . . 1 . . . . A 64 G H8 . 30512 1 172 . 1 1 34 34 G C8 C 13 142.8691 . . 1 . . . . A 64 G C8 . 30512 1 173 . 1 1 34 34 G N1 N 15 149.0752 . . 1 . . . . A 64 G N1 . 30512 1 174 . 1 1 35 35 A H1' H 1 5.7491 . . 1 . . . . A 65 A H1' . 30512 1 175 . 1 1 35 35 A H2 H 1 7.4964 . . 1 . . . . A 65 A H2 . 30512 1 176 . 1 1 35 35 A H8 H 1 7.7171 . . 1 . . . . A 65 A H8 . 30512 1 177 . 1 1 35 35 A C1' C 13 92.0145 . . 1 . . . . A 65 A C1' . 30512 1 178 . 1 1 35 35 A C2 C 13 153.6798 . . 1 . . . . A 65 A C2 . 30512 1 179 . 1 1 36 36 U H1' H 1 5.2588 . . 1 . . . . A 66 U H1' . 30512 1 180 . 1 1 36 36 U H3 H 1 13.7957 . . 1 . . . . A 66 U H3 . 30512 1 181 . 1 1 36 36 U H5 H 1 4.6728 . . 1 . . . . A 66 U H5 . 30512 1 182 . 1 1 36 36 U H6 H 1 7.3466 . . 1 . . . . A 66 U H6 . 30512 1 183 . 1 1 36 36 U C6 C 13 140.2092 . . 1 . . . . A 66 U C6 . 30512 1 184 . 1 1 36 36 U N3 N 15 164.56 . . 1 . . . . A 66 U N3 . 30512 1 185 . 1 1 37 37 C H1' H 1 5.3071 . . 1 . . . . A 67 C H1' . 30512 1 186 . 1 1 37 37 C H5 H 1 5.1928 . . 1 . . . . A 67 C H5 . 30512 1 187 . 1 1 37 37 C H6 H 1 7.3672 . . 1 . . . . A 67 C H6 . 30512 1 188 . 1 1 37 37 C H41 H 1 8.0239 . . 2 . . . . A 67 C H41 . 30512 1 189 . 1 1 37 37 C H42 H 1 6.6134 . . 2 . . . . A 67 C H42 . 30512 1 190 . 1 1 38 38 U H1' H 1 5.2959 . . 1 . . . . A 68 U H1' . 30512 1 191 . 1 1 38 38 U H3 H 1 11.6766 . . 1 . . . . A 68 U H3 . 30512 1 192 . 1 1 38 38 U H5 H 1 5.2581 . . 1 . . . . A 68 U H5 . 30512 1 193 . 1 1 38 38 U H6 H 1 7.5055 . . 1 . . . . A 68 U H6 . 30512 1 194 . 1 1 38 38 U C6 C 13 139.9433 . . 1 . . . . A 68 U C6 . 30512 1 195 . 1 1 39 39 G H1 H 1 11.8504 . . 1 . . . . A 69 G H1 . 30512 1 196 . 1 1 39 39 G H1' H 1 5.4659 . . 1 . . . . A 69 G H1' . 30512 1 197 . 1 1 39 39 G H8 H 1 7.1024 . . 1 . . . . A 69 G H8 . 30512 1 198 . 1 1 39 39 G C8 C 13 139.1588 . . 1 . . . . A 69 G C8 . 30512 1 199 . 1 1 39 39 G N1 N 15 147.9787 . . 1 . . . . A 69 G N1 . 30512 1 200 . 1 1 40 40 G H1 H 1 12.578 . . 1 . . . . A 70 G H1 . 30512 1 201 . 1 1 40 40 G H1' H 1 5.5074 . . 1 . . . . A 70 G H1' . 30512 1 202 . 1 1 40 40 G H8 H 1 6.9525 . . 1 . . . . A 70 G H8 . 30512 1 203 . 1 1 40 40 G C8 C 13 139.3829 . . 1 . . . . A 70 G C8 . 30512 1 204 . 1 1 40 40 G N1 N 15 151.4162 . . 1 . . . . A 70 G N1 . 30512 1 205 . 1 1 41 41 RY H1' H 1 5.5886 . . 1 . . . . A 71 RY H1' . 30512 1 206 . 1 1 41 41 RY H5 H 1 5.7422 . . 1 . . . . A 71 RY H5 . 30512 1 207 . 1 1 41 41 RY H6 H 1 7.4264 . . 1 . . . . A 71 RY H6 . 30512 1 208 . 1 1 41 41 RY H41 H 1 10.0661 . . 2 . . . . A 71 RY H41 . 30512 1 209 . 1 1 41 41 RY H42 H 1 8.7392 . . 2 . . . . A 71 RY H42 . 30512 1 210 . 1 1 42 42 U H1' H 1 5.7228 . . 1 . . . . A 72 U H1' . 30512 1 211 . 1 1 42 42 U H5 H 1 5.656 . . 1 . . . . A 72 U H5 . 30512 1 212 . 1 1 42 42 U H6 H 1 7.5503 . . 1 . . . . A 72 U H6 . 30512 1 213 . 1 1 42 42 U C6 C 13 144.8881 . . 1 . . . . A 72 U C6 . 30512 1 214 . 1 1 43 43 G H1 H 1 12.2701 . . 1 . . . . A 73 G H1 . 30512 1 215 . 1 1 43 43 G H1' H 1 5.5479 . . 1 . . . . A 73 G H1' . 30512 1 216 . 1 1 43 43 G H8 H 1 7.0674 . . 1 . . . . A 73 G H8 . 30512 1 217 . 1 1 43 43 G C8 C 13 141.2248 . . 1 . . . . A 73 G C8 . 30512 1 218 . 1 1 43 43 G N1 N 15 150.6154 . . 1 . . . . A 73 G N1 . 30512 1 219 . 1 1 44 44 G H1 H 1 12.9239 . . 1 . . . . A 74 G H1 . 30512 1 220 . 1 1 44 44 G H1' H 1 5.7133 . . 1 . . . . A 74 G H1' . 30512 1 221 . 1 1 44 44 G H8 H 1 7.2958 . . 1 . . . . A 74 G H8 . 30512 1 222 . 1 1 44 44 G C8 C 13 141.7694 . . 1 . . . . A 74 G C8 . 30512 1 223 . 1 1 44 44 G N1 N 15 150.9374 . . 1 . . . . A 74 G N1 . 30512 1 224 . 1 1 45 45 RY H1' H 1 5.6377 . . 1 . . . . A 75 RY H1' . 30512 1 225 . 1 1 45 45 RY H5 H 1 5.3156 . . 1 . . . . A 75 RY H5 . 30512 1 226 . 1 1 45 45 RY H6 H 1 7.3679 . . 1 . . . . A 75 RY H6 . 30512 1 227 . 1 1 46 46 U H1' H 1 5.5579 . . 1 . . . . A 76 U H1' . 30512 1 228 . 1 1 46 46 U H5 H 1 5.4996 . . 1 . . . . A 76 U H5 . 30512 1 229 . 1 1 46 46 U H6 H 1 7.5008 . . 1 . . . . A 76 U H6 . 30512 1 230 . 1 1 46 46 U C6 C 13 143.8929 . . 1 . . . . A 76 U C6 . 30512 1 231 . 1 1 47 47 A H1' H 1 5.8363 . . 1 . . . . A 77 A H1' . 30512 1 232 . 1 1 47 47 A H8 H 1 8.0461 . . 1 . . . . A 77 A H8 . 30512 1 233 . 1 1 47 47 A C1' C 13 90.1865 . . 1 . . . . A 77 A C1' . 30512 1 234 . 1 1 47 47 A C8 C 13 140.0195 . . 1 . . . . A 77 A C8 . 30512 1 235 . 1 1 48 48 G H1 H 1 11.784 . . 1 . . . . A 78 G H1 . 30512 1 236 . 1 1 48 48 G H1' H 1 5.2757 . . 1 . . . . A 78 G H1' . 30512 1 237 . 1 1 48 48 G H8 H 1 7.5301 . . 1 . . . . A 78 G H8 . 30512 1 238 . 1 1 48 48 G C8 C 13 142.7426 . . 1 . . . . A 78 G C8 . 30512 1 239 . 1 1 48 48 G N1 N 15 148.132 . . 1 . . . . A 78 G N1 . 30512 1 240 . 1 1 49 49 G H1 H 1 11.1202 . . 1 . . . . A 79 G H1 . 30512 1 241 . 1 1 49 49 G H1' H 1 5.5027 . . 1 . . . . A 79 G H1' . 30512 1 242 . 1 1 49 49 G H8 H 1 7.1789 . . 1 . . . . A 79 G H8 . 30512 1 243 . 1 1 49 49 G C8 C 13 141.6886 . . 1 . . . . A 79 G C8 . 30512 1 244 . 1 1 49 49 G N1 N 15 144.4304 . . 1 . . . . A 79 G N1 . 30512 1 245 . 1 1 50 50 C H1' H 1 5.3278 . . 1 . . . . A 80 C H1' . 30512 1 246 . 1 1 50 50 C H5 H 1 5.0703 . . 1 . . . . A 80 C H5 . 30512 1 247 . 1 1 50 50 C H6 H 1 7.2925 . . 1 . . . . A 80 C H6 . 30512 1 248 . 1 1 50 50 C H41 H 1 8.0336 . . 2 . . . . A 80 C H41 . 30512 1 249 . 1 1 50 50 C H42 H 1 6.6768 . . 2 . . . . A 80 C H42 . 30512 1 250 . 1 1 51 51 G H1 H 1 10.3674 . . 1 . . . . A 81 G H1 . 30512 1 251 . 1 1 51 51 G H1' H 1 5.4721 . . 1 . . . . A 81 G H1' . 30512 1 252 . 1 1 51 51 G H8 H 1 7.1826 . . 1 . . . . A 81 G H8 . 30512 1 253 . 1 1 51 51 G C8 C 13 139.0745 . . 1 . . . . A 81 G C8 . 30512 1 254 . 1 1 51 51 G N1 N 15 139.8924 . . 1 . . . . A 81 G N1 . 30512 1 255 . 1 1 52 52 G H1 H 1 12.4808 . . 1 . . . . A 82 G H1 . 30512 1 256 . 1 1 52 52 G H1' H 1 5.4948 . . 1 . . . . A 82 G H1' . 30512 1 257 . 1 1 52 52 G H8 H 1 6.9746 . . 1 . . . . A 82 G H8 . 30512 1 258 . 1 1 52 52 G C8 C 13 139.6942 . . 1 . . . . A 82 G C8 . 30512 1 259 . 1 1 52 52 G N1 N 15 150.3218 . . 1 . . . . A 82 G N1 . 30512 1 260 . 1 1 53 53 G H1 H 1 11.2537 . . 1 . . . . A 83 G H1 . 30512 1 261 . 1 1 53 53 G H1' H 1 5.5106 . . 1 . . . . A 83 G H1' . 30512 1 262 . 1 1 53 53 G H8 H 1 6.8727 . . 1 . . . . A 83 G H8 . 30512 1 263 . 1 1 53 53 G C8 C 13 141.05 . . 1 . . . . A 83 G C8 . 30512 1 264 . 1 1 53 53 G N1 N 15 144.0567 . . 1 . . . . A 83 G N1 . 30512 1 265 . 1 1 54 54 U H1' H 1 5.2191 . . 1 . . . . A 84 U H1' . 30512 1 266 . 1 1 54 54 U H3 H 1 14.171 . . 1 . . . . A 84 U H3 . 30512 1 267 . 1 1 54 54 U H5 H 1 4.906 . . 1 . . . . A 84 U H5 . 30512 1 268 . 1 1 54 54 U H6 H 1 7.4986 . . 1 . . . . A 84 U H6 . 30512 1 269 . 1 1 54 54 U C6 C 13 139.8799 . . 1 . . . . A 84 U C6 . 30512 1 270 . 1 1 54 54 U N3 N 15 166.1083 . . 1 . . . . A 84 U N3 . 30512 1 271 . 1 1 55 55 C H1' H 1 5.2966 . . 1 . . . . A 85 C H1' . 30512 1 272 . 1 1 55 55 C H5 H 1 5.3329 . . 1 . . . . A 85 C H5 . 30512 1 273 . 1 1 55 55 C H6 H 1 7.6609 . . 1 . . . . A 85 C H6 . 30512 1 274 . 1 1 55 55 C H41 H 1 8.1661 . . 2 . . . . A 85 C H41 . 30512 1 275 . 1 1 55 55 C H42 H 1 6.7908 . . 2 . . . . A 85 C H42 . 30512 1 276 . 1 1 56 56 C H1' H 1 5.1979 . . 1 . . . . A 86 C H1' . 30512 1 277 . 1 1 56 56 C H5 H 1 5.2216 . . 1 . . . . A 86 C H5 . 30512 1 278 . 1 1 56 56 C H6 H 1 7.4752 . . 1 . . . . A 86 C H6 . 30512 1 279 . 1 1 56 56 C H41 H 1 7.9909 . . 2 . . . . A 86 C H41 . 30512 1 280 . 1 1 56 56 C H42 H 1 6.6426 . . 2 . . . . A 86 C H42 . 30512 1 281 . 1 1 57 57 C H1' H 1 5.4698 . . 1 . . . . A 87 C H1' . 30512 1 282 . 1 1 57 57 C H5 H 1 5.1692 . . 1 . . . . A 87 C H5 . 30512 1 283 . 1 1 57 57 C H6 H 1 7.3701 . . 1 . . . . A 87 C H6 . 30512 1 stop_ save_