################################### # 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 30816 _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' . . . 30816 1 2 '2D 1H-1H NOESY' . . . 30816 1 3 '2D 1H-1H NOESY' . . . 30816 1 4 '2D 1H-1H NOESY' . . . 30816 1 5 '2D 1H-1H NOESY' . . . 30816 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 C H1' H 1 5.6890 0.0000 . 1 . . . . A 43 C H1' . 30816 1 2 . 1 . 1 1 1 C H5 H 1 6.1282 0.0000 . 1 . . . . A 43 C H5 . 30816 1 3 . 1 . 1 1 1 C H6 H 1 8.1719 0.0000 . 1 . . . . A 43 C H6 . 30816 1 4 . 1 . 1 2 2 U H1' H 1 5.7693 0.0000 . 1 . . . . A 44 U H1' . 30816 1 5 . 1 . 1 2 2 U H5 H 1 5.6139 0.0000 . 1 . . . . A 44 U H5 . 30816 1 6 . 1 . 1 2 2 U H6 H 1 8.0942 0.0000 . 1 . . . . A 44 U H6 . 30816 1 7 . 1 . 1 3 3 G H1 H 1 12.6821 0.0000 . 1 . . . . A 45 G H1 . 30816 1 8 . 1 . 1 3 3 G H1' H 1 5.8938 0.0000 . 1 . . . . A 45 G H1' . 30816 1 9 . 1 . 1 3 3 G H8 H 1 7.8727 0.0000 . 1 . . . . A 45 G H8 . 30816 1 10 . 1 . 1 4 4 C H1' H 1 5.5841 0.0000 . 1 . . . . A 46 C H1' . 30816 1 11 . 1 . 1 4 4 C H5 H 1 5.2802 0.0000 . 1 . . . . A 46 C H5 . 30816 1 12 . 1 . 1 4 4 C H6 H 1 7.6580 0.0000 . 1 . . . . A 46 C H6 . 30816 1 13 . 1 . 1 5 5 U H1' H 1 5.7127 0.0000 . 1 . . . . A 47 U H1' . 30816 1 14 . 1 . 1 5 5 U H3 H 1 12.3065 0.0000 . 1 . . . . A 47 U H3 . 30816 1 15 . 1 . 1 5 5 U H5 H 1 5.6385 0.0000 . 1 . . . . A 47 U H5 . 30816 1 16 . 1 . 1 5 5 U H6 H 1 8.0431 0.0000 . 1 . . . . A 47 U H6 . 30816 1 17 . 1 . 1 6 6 C H1' H 1 5.6833 0.0000 . 1 . . . . A 48 C H1' . 30816 1 18 . 1 . 1 6 6 C H5 H 1 5.6718 0.0000 . 1 . . . . A 48 C H5 . 30816 1 19 . 1 . 1 6 6 C H6 H 1 7.9810 0.0000 . 1 . . . . A 48 C H6 . 30816 1 20 . 1 . 1 7 7 U H1' H 1 6.0306 0.0000 . 1 . . . . A 49 U H1' . 30816 1 21 . 1 . 1 7 7 U H3 H 1 13.9113 0.0000 . 1 . . . . A 49 U H3 . 30816 1 22 . 1 . 1 7 7 U H5 H 1 5.5575 0.0000 . 1 . . . . A 49 U H5 . 30816 1 23 . 1 . 1 7 7 U H6 H 1 7.8696 0.0000 . 1 . . . . A 49 U H6 . 30816 1 24 . 1 . 1 8 8 A H1' H 1 6.2295 0.0000 . 1 . . . . A 50 A H1' . 30816 1 25 . 1 . 1 8 8 A H2 H 1 7.3382 0.0000 . 1 . . . . A 50 A H2 . 30816 1 26 . 1 . 1 8 8 A H8 H 1 7.7555 0.0000 . 1 . . . . A 50 A H8 . 30816 1 27 . 1 . 1 9 9 C H1' H 1 5.8169 0.0000 . 1 . . . . A 51 C H1' . 30816 1 28 . 1 . 1 9 9 C H5 H 1 5.8010 0.0000 . 1 . . . . A 51 C H5 . 30816 1 29 . 1 . 1 9 9 C H6 H 1 7.6283 0.0000 . 1 . . . . A 51 C H6 . 30816 1 30 . 1 . 1 10 10 C H1' H 1 5.6148 0.0000 . 1 . . . . A 52 C H1' . 30816 1 31 . 1 . 1 10 10 C H5 H 1 5.5455 0.0000 . 1 . . . . A 52 C H5 . 30816 1 32 . 1 . 1 10 10 C H6 H 1 7.9376 0.0000 . 1 . . . . A 52 C H6 . 30816 1 33 . 1 . 1 11 11 U H1' H 1 5.6163 0.0000 . 1 . . . . A 53 U H1' . 30816 1 34 . 1 . 1 11 11 U H3 H 1 14.0545 0.0000 . 1 . . . . A 53 U H3 . 30816 1 35 . 1 . 1 11 11 U H5 H 1 5.4923 0.0000 . 1 . . . . A 53 U H5 . 30816 1 36 . 1 . 1 11 11 U H6 H 1 7.9517 0.0000 . 1 . . . . A 53 U H6 . 30816 1 37 . 1 . 1 12 12 U H1' H 1 5.7335 0.0000 . 1 . . . . A 54 U H1' . 30816 1 38 . 1 . 1 12 12 U H3 H 1 13.8441 0.0000 . 1 . . . . A 54 U H3 . 30816 1 39 . 1 . 1 12 12 U H5 H 1 5.7547 0.0000 . 1 . . . . A 54 U H5 . 30816 1 40 . 1 . 1 12 12 U H6 H 1 7.6157 0.0000 . 1 . . . . A 54 U H6 . 30816 1 41 . 1 . 1 13 13 C H1' H 1 5.6944 0.0000 . 1 . . . . A 55 C H1' . 30816 1 42 . 1 . 1 13 13 C H5 H 1 5.7261 0.0000 . 1 . . . . A 55 C H5 . 30816 1 43 . 1 . 1 13 13 C H6 H 1 7.7994 0.0000 . 1 . . . . A 55 C H6 . 30816 1 44 . 1 . 1 14 14 A H1' H 1 5.9399 0.0000 . 1 . . . . A 56 A H1' . 30816 1 45 . 1 . 1 14 14 A H8 H 1 8.2986 0.0000 . 1 . . . . A 56 A H8 . 30816 1 46 . 1 . 1 15 15 C H5 H 1 5.5216 0.0000 . 1 . . . . A 57 C H5 . 30816 1 47 . 1 . 1 15 15 C H6 H 1 7.7316 0.0000 . 1 . . . . A 57 C H6 . 30816 1 48 . 1 . 1 16 16 C H5'' H 1 4.108 0.0000 . 1 . . . . A 58 C H5'' . 30816 1 49 . 1 . 1 17 17 A H1' H 1 5.9077 0.0000 . 1 . . . . A 59 A H1' . 30816 1 50 . 1 . 1 17 17 A H2 H 1 7.3925 0.0000 . 1 . . . . A 59 A H2 . 30816 1 51 . 1 . 1 17 17 A H8 H 1 8.1674 0.0000 . 1 . . . . A 59 A H8 . 30816 1 52 . 1 . 1 18 18 U H1' H 1 5.6033 0.0000 . 1 . . . . A 60 U H1' . 30816 1 53 . 1 . 1 18 18 U H3 H 1 13.1825 0.0000 . 1 . . . . A 60 U H3 . 30816 1 54 . 1 . 1 18 18 U H5 H 1 5.0840 0.0000 . 1 . . . . A 60 U H5 . 30816 1 55 . 1 . 1 18 18 U H6 H 1 7.3897 0.0000 . 1 . . . . A 60 U H6 . 30816 1 56 . 1 . 1 19 19 G H1 H 1 12.9101 0.0000 . 1 . . . . A 61 G H1 . 30816 1 57 . 1 . 1 19 19 G H1' H 1 5.7373 0.0000 . 1 . . . . A 61 G H1' . 30816 1 58 . 1 . 1 19 19 G H8 H 1 7.7513 0.0000 . 1 . . . . A 61 G H8 . 30816 1 59 . 1 . 1 20 20 C H5 H 1 5.7002 0.0000 . 1 . . . . A 62 C H5 . 30816 1 60 . 1 . 1 20 20 C H6 H 1 7.8627 0.0000 . 1 . . . . A 62 C H6 . 30816 1 61 . 1 . 1 21 21 C H1' H 1 5.9397 0.0000 . 1 . . . . A 63 C H1' . 30816 1 62 . 1 . 1 21 21 C H6 H 1 8.2222 0.0000 . 1 . . . . A 63 C H6 . 30816 1 63 . 1 . 1 22 22 A H5'' H 1 4.435 0.0000 . 1 . . . . A 64 A H5'' . 30816 1 64 . 1 . 1 23 23 A H1' H 1 6.0547 0.0000 . 1 . . . . A 65 A H1' . 30816 1 65 . 1 . 1 24 24 G H1 H 1 13.4878 0.0000 . 1 . . . . A 66 G H1 . 30816 1 66 . 1 . 1 24 24 G H1' H 1 5.7759 0.0000 . 1 . . . . A 66 G H1' . 30816 1 67 . 1 . 1 24 24 G H8 H 1 7.6557 0.0000 . 1 . . . . A 66 G H8 . 30816 1 68 . 1 . 1 25 25 U H1' H 1 5.9117 0.0000 . 1 . . . . A 67 U H1' . 30816 1 69 . 1 . 1 25 25 U H3 H 1 11.8254 0.0000 . 1 . . . . A 67 U H3 . 30816 1 70 . 1 . 1 25 25 U H5 H 1 5.8464 0.0000 . 1 . . . . A 67 U H5 . 30816 1 71 . 1 . 1 25 25 U H6 H 1 7.8698 0.0000 . 1 . . . . A 67 U H6 . 30816 1 72 . 1 . 1 26 26 G H1 H 1 11.6953 0.0000 . 1 . . . . A 68 G H1 . 30816 1 73 . 1 . 1 26 26 G H1' H 1 5.8604 0.0000 . 1 . . . . A 68 G H1' . 30816 1 74 . 1 . 1 26 26 G H8 H 1 6.9373 0.0000 . 1 . . . . A 68 G H8 . 30816 1 75 . 1 . 1 27 27 G H1 H 1 13.6051 0.0000 . 1 . . . . A 69 G H1 . 30816 1 76 . 1 . 1 27 27 G H1' H 1 5.8733 0.0000 . 1 . . . . A 69 G H1' . 30816 1 77 . 1 . 1 27 27 G H8 H 1 7.4372 0.0000 . 1 . . . . A 69 G H8 . 30816 1 78 . 1 . 1 28 28 U H1' H 1 5.8543 0.0000 . 1 . . . . A 70 U H1' . 30816 1 79 . 1 . 1 28 28 U H3 H 1 12.1860 0.0000 . 1 . . . . A 70 U H3 . 30816 1 80 . 1 . 1 28 28 U H5 H 1 5.8916 0.0000 . 1 . . . . A 70 U H5 . 30816 1 81 . 1 . 1 28 28 U H6 H 1 7.9179 0.0000 . 1 . . . . A 70 U H6 . 30816 1 82 . 1 . 1 29 29 C H1' H 1 5.6145 0.0000 . 1 . . . . A 71 C H1' . 30816 1 83 . 1 . 1 29 29 C H5 H 1 5.4824 0.0000 . 1 . . . . A 71 C H5 . 30816 1 84 . 1 . 1 29 29 C H6 H 1 7.7053 0.0000 . 1 . . . . A 71 C H6 . 30816 1 85 . 1 . 1 30 30 C H1' H 1 5.5278 0.0000 . 1 . . . . A 72 C H1' . 30816 1 86 . 1 . 1 30 30 C H5 H 1 5.5455 0.0000 . 1 . . . . A 72 C H5 . 30816 1 87 . 1 . 1 30 30 C H6 H 1 7.7853 0.0000 . 1 . . . . A 72 C H6 . 30816 1 88 . 1 . 1 31 31 C H1' H 1 6.0904 0.0000 . 1 . . . . A 73 C H1' . 30816 1 89 . 1 . 1 31 31 C H5 H 1 6.0601 0.0000 . 1 . . . . A 73 C H5 . 30816 1 90 . 1 . 1 31 31 C H6 H 1 7.9520 0.0000 . 1 . . . . A 73 C H6 . 30816 1 91 . 1 . 1 32 32 A H1' H 1 6.1018 0.0000 . 1 . . . . A 74 A H1' . 30816 1 92 . 1 . 1 32 32 A H8 H 1 7.8182 0.0000 . 1 . . . . A 74 A H8 . 30816 1 93 . 1 . 1 33 33 G H1 H 1 12.7283 0.0000 . 1 . . . . A 75 G H1 . 30816 1 94 . 1 . 1 33 33 G H8 H 1 5.5538 0.0000 . 1 . . . . A 75 G H8 . 30816 1 95 . 1 . 1 34 34 G H1 H 1 10.6896 0.0000 . 1 . . . . A 76 G H1 . 30816 1 96 . 1 . 1 34 34 G H1' H 1 5.8388 0.0000 . 1 . . . . A 76 G H1' . 30816 1 97 . 1 . 1 34 34 G H8 H 1 7.1378 0.0000 . 1 . . . . A 76 G H8 . 30816 1 98 . 1 . 1 35 35 C H1' H 1 5.4055 0.0000 . 1 . . . . A 77 C H1' . 30816 1 99 . 1 . 1 35 35 C H5 H 1 5.3831 0.0000 . 1 . . . . A 77 C H5 . 30816 1 100 . 1 . 1 35 35 C H6 H 1 7.6624 0.0000 . 1 . . . . A 77 C H6 . 30816 1 101 . 1 . 1 35 35 C H41 H 1 8.5873 0.0000 . 2 . . . . A 77 C H41 . 30816 1 102 . 1 . 1 35 35 C H42 H 1 7.0823 0.0000 . 2 . . . . A 77 C H42 . 30816 1 103 . 1 . 1 36 36 U H1' H 1 5.8417 0.0000 . 1 . . . . A 78 U H1' . 30816 1 104 . 1 . 1 36 36 U H3 H 1 12.4129 0.0000 . 1 . . . . A 78 U H3 . 30816 1 105 . 1 . 1 36 36 U H5 H 1 5.8751 0.0000 . 1 . . . . A 78 U H5 . 30816 1 106 . 1 . 1 36 36 U H6 H 1 7.8399 0.0000 . 1 . . . . A 78 U H6 . 30816 1 107 . 1 . 1 37 37 G H1 H 1 11.0192 0.0000 . 1 . . . . A 79 G H1 . 30816 1 108 . 1 . 1 37 37 G H1' H 1 5.8756 0.0000 . 1 . . . . A 79 G H1' . 30816 1 109 . 1 . 1 37 37 G H8 H 1 7.2842 0.0000 . 1 . . . . A 79 G H8 . 30816 1 110 . 1 . 1 38 38 C H1' H 1 5.5736 0.0000 . 1 . . . . A 80 C H1' . 30816 1 111 . 1 . 1 38 38 C H5 H 1 5.2892 0.0000 . 1 . . . . A 80 C H5 . 30816 1 112 . 1 . 1 38 38 C H6 H 1 7.5595 0.0000 . 1 . . . . A 80 C H6 . 30816 1 113 . 1 . 1 39 39 A H1' H 1 6.0134 0.0000 . 1 . . . . A 81 A H1' . 30816 1 114 . 1 . 1 39 39 A H8 H 1 7.8901 0.0000 . 1 . . . . A 81 A H8 . 30816 1 115 . 1 . 1 40 40 C H1' H 1 5.6662 0.0000 . 1 . . . . A 82 C H1' . 30816 1 116 . 1 . 1 40 40 C H6 H 1 7.9001 0.0000 . 1 . . . . A 82 C H6 . 30816 1 117 . 1 . 1 41 41 C H1' H 1 5.7234 0.0000 . 1 . . . . A 83 C H1' . 30816 1 118 . 1 . 1 41 41 C H5 H 1 5.9938 0.0000 . 1 . . . . A 83 C H5 . 30816 1 119 . 1 . 1 41 41 C H6 H 1 8.0655 0.0000 . 1 . . . . A 83 C H6 . 30816 1 120 . 1 . 1 42 42 C H1' H 1 5.7456 0.0000 . 1 . . . . A 84 C H1' . 30816 1 121 . 1 . 1 42 42 C H5 H 1 5.8129 0.0000 . 1 . . . . A 84 C H5 . 30816 1 122 . 1 . 1 42 42 C H6 H 1 8.0696 0.0000 . 1 . . . . A 84 C H6 . 30816 1 123 . 1 . 1 43 43 A H1' H 1 5.9221 0.0000 . 1 . . . . A 85 A H1' . 30816 1 124 . 1 . 1 43 43 A H2 H 1 7.3810 0.0000 . 1 . . . . A 85 A H2 . 30816 1 125 . 1 . 1 43 43 A H8 H 1 8.1812 0.0000 . 1 . . . . A 85 A H8 . 30816 1 126 . 1 . 1 44 44 U H1' H 1 5.5342 0.0000 . 1 . . . . A 86 U H1' . 30816 1 127 . 1 . 1 44 44 U H3 H 1 13.6076 0.0000 . 1 . . . . A 86 U H3 . 30816 1 128 . 1 . 1 44 44 U H5 H 1 5.1146 0.0000 . 1 . . . . A 86 U H5 . 30816 1 129 . 1 . 1 44 44 U H6 H 1 7.6137 0.0000 . 1 . . . . A 86 U H6 . 30816 1 130 . 1 . 1 45 45 G H1 H 1 12.2916 0.0000 . 1 . . . . A 87 G H1 . 30816 1 131 . 1 . 1 45 45 G H1' H 1 5.8250 0.0000 . 1 . . . . A 87 G H1' . 30816 1 132 . 1 . 1 45 45 G H8 H 1 7.6458 0.0000 . 1 . . . . A 87 G H8 . 30816 1 133 . 1 . 1 46 46 G H1 H 1 13.2187 0.0000 . 1 . . . . A 88 G H1 . 30816 1 134 . 1 . 1 46 46 G H1' H 1 5.6428 0.0000 . 1 . . . . A 88 G H1' . 30816 1 135 . 1 . 1 46 46 G H8 H 1 7.1426 0.0000 . 1 . . . . A 88 G H8 . 30816 1 136 . 1 . 1 47 47 C H1' H 1 5.8978 0.0000 . 1 . . . . A 89 C H1' . 30816 1 137 . 1 . 1 47 47 C H2' H 1 4.2575 0.0000 . 1 . . . . A 89 C H2' . 30816 1 138 . 1 . 1 47 47 C H3' H 1 4.5392 0.0000 . 1 . . . . A 89 C H3' . 30816 1 139 . 1 . 1 47 47 C H5 H 1 5.8353 0.0000 . 1 . . . . A 89 C H5 . 30816 1 140 . 1 . 1 47 47 C H6 H 1 7.3444 0.0000 . 1 . . . . A 89 C H6 . 30816 1 141 . 1 . 1 48 48 A H1' H 1 6.1306 0.0000 . 1 . . . . A 90 A H1' . 30816 1 142 . 1 . 1 48 48 A H2 H 1 7.8605 0.0000 . 1 . . . . A 90 A H2 . 30816 1 143 . 1 . 1 48 48 A H2' H 1 4.3526 0.0000 . 1 . . . . A 90 A H2' . 30816 1 144 . 1 . 1 48 48 A H3' H 1 4.2489 0.0000 . 1 . . . . A 90 A H3' . 30816 1 145 . 1 . 1 48 48 A H8 H 1 8.3410 0.0000 . 1 . . . . A 90 A H8 . 30816 1 146 . 1 . 1 49 49 G H1 H 1 12.0236 0.0000 . 1 . . . . A 91 G H1 . 30816 1 147 . 1 . 1 49 49 G H2' H 1 4.8042 0.0000 . 1 . . . . A 91 G H2' . 30816 1 148 . 1 . 1 49 49 G H8 H 1 7.8644 0.0000 . 1 . . . . A 91 G H8 . 30816 1 149 . 1 . 1 50 50 A H1' H 1 6.0099 0.0000 . 1 . . . . A 92 A H1' . 30816 1 150 . 1 . 1 50 50 A H2 H 1 7.1891 0.0000 . 1 . . . . A 92 A H2 . 30816 1 151 . 1 . 1 50 50 A H8 H 1 7.8118 0.0000 . 1 . . . . A 92 A H8 . 30816 1 152 . 1 . 1 51 51 A H1' H 1 5.9789 0.0000 . 1 . . . . A 93 A H1' . 30816 1 153 . 1 . 1 51 51 A H2 H 1 7.5507 0.0000 . 1 . . . . A 93 A H2 . 30816 1 154 . 1 . 1 51 51 A H8 H 1 7.7153 0.0000 . 1 . . . . A 93 A H8 . 30816 1 155 . 1 . 1 52 52 G H1 H 1 12.9616 0.0000 . 1 . . . . A 94 G H1 . 30816 1 156 . 1 . 1 52 52 G H1' H 1 5.6127 0.0000 . 1 . . . . A 94 G H1' . 30816 1 157 . 1 . 1 52 52 G H8 H 1 7.0474 0.0000 . 1 . . . . A 94 G H8 . 30816 1 158 . 1 . 1 53 53 G H1 H 1 12.6690 0.0000 . 1 . . . . A 95 G H1 . 30816 1 159 . 1 . 1 53 53 G H1' H 1 5.7345 0.0000 . 1 . . . . A 95 G H1' . 30816 1 160 . 1 . 1 53 53 G H8 H 1 7.0214 0.0000 . 1 . . . . A 95 G H8 . 30816 1 161 . 1 . 1 54 54 A H1' H 1 5.9805 0.0000 . 1 . . . . A 96 A H1' . 30816 1 162 . 1 . 1 54 54 A H2 H 1 7.6466 0.0000 . 1 . . . . A 96 A H2 . 30816 1 163 . 1 . 1 54 54 A H8 H 1 7.9193 0.0000 . 1 . . . . A 96 A H8 . 30816 1 164 . 1 . 1 55 55 G H1 H 1 13.6935 0.0000 . 1 . . . . A 97 G H1 . 30816 1 165 . 1 . 1 55 55 G H1' H 1 5.7008 0.0000 . 1 . . . . A 97 G H1' . 30816 1 166 . 1 . 1 55 55 G H8 H 1 7.3913 0.0000 . 1 . . . . A 97 G H8 . 30816 1 167 . 1 . 1 56 56 G H1 H 1 11.0058 0.0000 . 1 . . . . A 98 G H1 . 30816 1 168 . 1 . 1 56 56 G H1' H 1 5.7910 0.0000 . 1 . . . . A 98 G H1' . 30816 1 169 . 1 . 1 56 56 G H8 H 1 7.1162 0.0000 . 1 . . . . A 98 G H8 . 30816 1 170 . 1 . 1 57 57 G H1 H 1 13.4185 0.0000 . 1 . . . . A 99 G H1 . 30816 1 171 . 1 . 1 57 57 G H1' H 1 5.8052 0.0000 . 1 . . . . A 99 G H1' . 30816 1 172 . 1 . 1 57 57 G H8 H 1 7.2990 0.0000 . 1 . . . . A 99 G H8 . 30816 1 173 . 1 . 1 58 58 C H1' H 1 5.5869 0.0000 . 1 . . . . A 100 C H1' . 30816 1 174 . 1 . 1 58 58 C H5 H 1 5.3201 0.0000 . 1 . . . . A 100 C H5 . 30816 1 175 . 1 . 1 58 58 C H6 H 1 7.6740 0.0000 . 1 . . . . A 100 C H6 . 30816 1 176 . 1 . 1 59 59 A H1' H 1 5.9963 0.0000 . 1 . . . . A 101 A H1' . 30816 1 177 . 1 . 1 59 59 A H2 H 1 7.3117 0.0000 . 1 . . . . A 101 A H2 . 30816 1 178 . 1 . 1 59 59 A H8 H 1 8.0205 0.0000 . 1 . . . . A 101 A H8 . 30816 1 179 . 1 . 1 60 60 G H1' H 1 5.8190 0.0000 . 1 . . . . A 102 G H1' . 30816 1 180 . 1 . 1 60 60 G H8 H 1 7.4422 0.0000 . 1 . . . . A 102 G H8 . 30816 1 stop_ save_