################################### # 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 30907 _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' . . . 30907 1 2 '2D 1H-1H NOESY' . . . 30907 1 3 '2D 1H-1H NOESY' . . . 30907 1 4 '2D 1H-13C HSQC' . . . 30907 1 5 '2D 1H-1H TOCSY' . . . 30907 1 6 '1D GEJRSE HMQC' . . . 30907 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 DA H1' H 1 5.863 . . . . . . . A 1 DA H1' . 30907 1 2 . 1 . 1 1 1 DA H2 H 1 7.437 . . . . . . . A 1 DA H2 . 30907 1 3 . 1 . 1 1 1 DA H2' H 1 2.237 . . . . . . . A 1 DA H2' . 30907 1 4 . 1 . 1 1 1 DA H2'' H 1 2.343 . . . . . . . A 1 DA H2'' . 30907 1 5 . 1 . 1 1 1 DA H3' H 1 4.626 . . . . . . . A 1 DA H3' . 30907 1 6 . 1 . 1 1 1 DA H4' H 1 3.910 . . . . . . . A 1 DA H4' . 30907 1 7 . 1 . 1 1 1 DA H5' H 1 3.299 . . . . . . . A 1 DA H5' . 30907 1 8 . 1 . 1 1 1 DA H5'' H 1 3.424 . . . . . . . A 1 DA H5'' . 30907 1 9 . 1 . 1 1 1 DA H8 H 1 7.681 . . . . . . . A 1 DA H8 . 30907 1 10 . 1 . 1 2 2 DA H1' H 1 6.199 . . . . . . . A 2 DA H1' . 30907 1 11 . 1 . 1 2 2 DA H2 H 1 7.862 . . . . . . . A 2 DA H2 . 30907 1 12 . 1 . 1 2 2 DA H2' H 1 2.610 . . . . . . . A 2 DA H2' . 30907 1 13 . 1 . 1 2 2 DA H2'' H 1 2.705 . . . . . . . A 2 DA H2'' . 30907 1 14 . 1 . 1 2 2 DA H3' H 1 4.921 . . . . . . . A 2 DA H3' . 30907 1 15 . 1 . 1 2 2 DA H4' H 1 4.044 . . . . . . . A 2 DA H4' . 30907 1 16 . 1 . 1 2 2 DA H5' H 1 3.910 . . . . . . . A 2 DA H5' . 30907 1 17 . 1 . 1 2 2 DA H5'' H 1 3.715 . . . . . . . A 2 DA H5'' . 30907 1 18 . 1 . 1 2 2 DA H8 H 1 8.184 . . . . . . . A 2 DA H8 . 30907 1 19 . 1 . 1 3 3 DG H1 H 1 11.594 . . . . . . . A 3 DG H1 . 30907 1 20 . 1 . 1 3 3 DG H1' H 1 6.101 . . . . . . . A 3 DG H1' . 30907 1 21 . 1 . 1 3 3 DG H2' H 1 2.789 . . . . . . . A 3 DG H2' . 30907 1 22 . 1 . 1 3 3 DG H2'' H 1 3.049 . . . . . . . A 3 DG H2'' . 30907 1 23 . 1 . 1 3 3 DG H3' H 1 5.001 . . . . . . . A 3 DG H3' . 30907 1 24 . 1 . 1 3 3 DG H4' H 1 4.500 . . . . . . . A 3 DG H4' . 30907 1 25 . 1 . 1 3 3 DG H5' H 1 4.130 . . . . . . . A 3 DG H5' . 30907 1 26 . 1 . 1 3 3 DG H5'' H 1 4.208 . . . . . . . A 3 DG H5'' . 30907 1 27 . 1 . 1 3 3 DG H8 H 1 8.126 . . . . . . . A 3 DG H8 . 30907 1 28 . 1 . 1 4 4 DG H1 H 1 11.163 . . . . . . . A 4 DG H1 . 30907 1 29 . 1 . 1 4 4 DG H1' H 1 6.138 . . . . . . . A 4 DG H1' . 30907 1 30 . 1 . 1 4 4 DG H2' H 1 2.607 . . . . . . . A 4 DG H2' . 30907 1 31 . 1 . 1 4 4 DG H2'' H 1 2.900 . . . . . . . A 4 DG H2'' . 30907 1 32 . 1 . 1 4 4 DG H3' H 1 5.018 . . . . . . . A 4 DG H3' . 30907 1 33 . 1 . 1 4 4 DG H4' H 1 4.557 . . . . . . . A 4 DG H4' . 30907 1 34 . 1 . 1 4 4 DG H5' H 1 4.312 . . . . . . . A 4 DG H5' . 30907 1 35 . 1 . 1 4 4 DG H5'' H 1 4.318 . . . . . . . A 4 DG H5'' . 30907 1 36 . 1 . 1 4 4 DG H8 H 1 7.647 . . . . . . . A 4 DG H8 . 30907 1 37 . 1 . 1 5 5 DG H1 H 1 10.804 . . . . . . . A 5 DG H1 . 30907 1 38 . 1 . 1 5 5 DG H1' H 1 6.398 . . . . . . . A 5 DG H1' . 30907 1 39 . 1 . 1 5 5 DG H2' H 1 2.787 . . . . . . . A 5 DG H2' . 30907 1 40 . 1 . 1 5 5 DG H2'' H 1 2.694 . . . . . . . A 5 DG H2'' . 30907 1 41 . 1 . 1 5 5 DG H3' H 1 5.182 . . . . . . . A 5 DG H3' . 30907 1 42 . 1 . 1 5 5 DG H4' H 1 4.665 . . . . . . . A 5 DG H4' . 30907 1 43 . 1 . 1 5 5 DG H5' H 1 4.391 . . . . . . . A 5 DG H5' . 30907 1 44 . 1 . 1 5 5 DG H5'' H 1 4.319 . . . . . . . A 5 DG H5'' . 30907 1 45 . 1 . 1 5 5 DG H8 H 1 7.750 . . . . . . . A 5 DG H8 . 30907 1 46 . 1 . 1 6 6 DA H1' H 1 6.687 . . . . . . . A 6 DA H1' . 30907 1 47 . 1 . 1 6 6 DA H2 H 1 8.335 . . . . . . . A 6 DA H2 . 30907 1 48 . 1 . 1 6 6 DA H2' H 1 2.936 . . . . . . . A 6 DA H2' . 30907 1 49 . 1 . 1 6 6 DA H2'' H 1 2.939 . . . . . . . A 6 DA H2'' . 30907 1 50 . 1 . 1 6 6 DA H3' H 1 5.237 . . . . . . . A 6 DA H3' . 30907 1 51 . 1 . 1 6 6 DA H4' H 1 4.681 . . . . . . . A 6 DA H4' . 30907 1 52 . 1 . 1 6 6 DA H5' H 1 4.321 . . . . . . . A 6 DA H5' . 30907 1 53 . 1 . 1 6 6 DA H5'' H 1 4.321 . . . . . . . A 6 DA H5'' . 30907 1 54 . 1 . 1 6 6 DA H8 H 1 8.572 . . . . . . . A 6 DA H8 . 30907 1 55 . 1 . 1 7 7 DG H1 H 1 11.207 . . . . . . . A 7 DG H1 . 30907 1 56 . 1 . 1 7 7 DG H1' H 1 6.107 . . . . . . . A 7 DG H1' . 30907 1 57 . 1 . 1 7 7 DG H2' H 1 2.395 . . . . . . . A 7 DG H2' . 30907 1 58 . 1 . 1 7 7 DG H2'' H 1 2.909 . . . . . . . A 7 DG H2'' . 30907 1 59 . 1 . 1 7 7 DG H3' H 1 5.180 . . . . . . . A 7 DG H3' . 30907 1 60 . 1 . 1 7 7 DG H4' H 1 4.509 . . . . . . . A 7 DG H4' . 30907 1 61 . 1 . 1 7 7 DG H5' H 1 4.308 . . . . . . . A 7 DG H5' . 30907 1 62 . 1 . 1 7 7 DG H5'' H 1 4.393 . . . . . . . A 7 DG H5'' . 30907 1 63 . 1 . 1 7 7 DG H8 H 1 7.998 . . . . . . . A 7 DG H8 . 30907 1 64 . 1 . 1 8 8 DG H1 H 1 11.206 . . . . . . . A 8 DG H1 . 30907 1 65 . 1 . 1 8 8 DG H1' H 1 6.063 . . . . . . . A 8 DG H1' . 30907 1 66 . 1 . 1 8 8 DG H2' H 1 2.658 . . . . . . . A 8 DG H2' . 30907 1 67 . 1 . 1 8 8 DG H2'' H 1 2.787 . . . . . . . A 8 DG H2'' . 30907 1 68 . 1 . 1 8 8 DG H3' H 1 5.087 . . . . . . . A 8 DG H3' . 30907 1 69 . 1 . 1 8 8 DG H4' H 1 4.547 . . . . . . . A 8 DG H4' . 30907 1 70 . 1 . 1 8 8 DG H5' H 1 4.221 . . . . . . . A 8 DG H5' . 30907 1 71 . 1 . 1 8 8 DG H5'' H 1 4.298 . . . . . . . A 8 DG H5'' . 30907 1 72 . 1 . 1 8 8 DG H8 H 1 7.880 . . . . . . . A 8 DG H8 . 30907 1 73 . 1 . 1 9 9 DG H1 H 1 11.027 . . . . . . . A 9 DG H1 . 30907 1 74 . 1 . 1 9 9 DG H1' H 1 6.346 . . . . . . . A 9 DG H1' . 30907 1 75 . 1 . 1 9 9 DG H2' H 1 2.678 . . . . . . . A 9 DG H2' . 30907 1 76 . 1 . 1 9 9 DG H2'' H 1 2.681 . . . . . . . A 9 DG H2'' . 30907 1 77 . 1 . 1 9 9 DG H3' H 1 5.075 . . . . . . . A 9 DG H3' . 30907 1 78 . 1 . 1 9 9 DG H4' H 1 4.623 . . . . . . . A 9 DG H4' . 30907 1 79 . 1 . 1 9 9 DG H5' H 1 4.316 . . . . . . . A 9 DG H5' . 30907 1 80 . 1 . 1 9 9 DG H5'' H 1 4.308 . . . . . . . A 9 DG H5'' . 30907 1 81 . 1 . 1 9 9 DG H8 H 1 7.643 . . . . . . . A 9 DG H8 . 30907 1 82 . 1 . 1 10 10 DC H1' H 1 6.493 . . . . . . . A 10 DC H1' . 30907 1 83 . 1 . 1 10 10 DC H2' H 1 2.425 . . . . . . . A 10 DC H2' . 30907 1 84 . 1 . 1 10 10 DC H2'' H 1 2.773 . . . . . . . A 10 DC H2'' . 30907 1 85 . 1 . 1 10 10 DC H3' H 1 4.988 . . . . . . . A 10 DC H3' . 30907 1 86 . 1 . 1 10 10 DC H4' H 1 4.578 . . . . . . . A 10 DC H4' . 30907 1 87 . 1 . 1 10 10 DC H5 H 1 6.201 . . . . . . . A 10 DC H5 . 30907 1 88 . 1 . 1 10 10 DC H5' H 1 4.316 . . . . . . . A 10 DC H5' . 30907 1 89 . 1 . 1 10 10 DC H5'' H 1 4.409 . . . . . . . A 10 DC H5'' . 30907 1 90 . 1 . 1 10 10 DC H6 H 1 8.048 . . . . . . . A 10 DC H6 . 30907 1 91 . 1 . 1 11 11 DG H1 H 1 11.053 . . . . . . . A 11 DG H1 . 30907 1 92 . 1 . 1 11 11 DG H1' H 1 6.189 . . . . . . . A 11 DG H1' . 30907 1 93 . 1 . 1 11 11 DG H2' H 1 2.848 . . . . . . . A 11 DG H2' . 30907 1 94 . 1 . 1 11 11 DG H2'' H 1 2.935 . . . . . . . A 11 DG H2'' . 30907 1 95 . 1 . 1 11 11 DG H3' H 1 4.869 . . . . . . . A 11 DG H3' . 30907 1 96 . 1 . 1 11 11 DG H4' H 1 4.571 . . . . . . . A 11 DG H4' . 30907 1 97 . 1 . 1 11 11 DG H5' H 1 4.312 . . . . . . . A 11 DG H5' . 30907 1 98 . 1 . 1 11 11 DG H5'' H 1 4.414 . . . . . . . A 11 DG H5'' . 30907 1 99 . 1 . 1 11 11 DG H8 H 1 7.535 . . . . . . . A 11 DG H8 . 30907 1 100 . 1 . 1 12 12 DG H1 H 1 10.845 . . . . . . . A 12 DG H1 . 30907 1 101 . 1 . 1 12 12 DG H1' H 1 6.469 . . . . . . . A 12 DG H1' . 30907 1 102 . 1 . 1 12 12 DG H2' H 1 2.763 . . . . . . . A 12 DG H2' . 30907 1 103 . 1 . 1 12 12 DG H2'' H 1 2.699 . . . . . . . A 12 DG H2'' . 30907 1 104 . 1 . 1 12 12 DG H3' H 1 5.136 . . . . . . . A 12 DG H3' . 30907 1 105 . 1 . 1 12 12 DG H4' H 1 4.691 . . . . . . . A 12 DG H4' . 30907 1 106 . 1 . 1 12 12 DG H5' H 1 4.294 . . . . . . . A 12 DG H5' . 30907 1 107 . 1 . 1 12 12 DG H5'' H 1 4.347 . . . . . . . A 12 DG H5'' . 30907 1 108 . 1 . 1 12 12 DG H8 H 1 7.939 . . . . . . . A 12 DG H8 . 30907 1 109 . 1 . 1 13 13 DC H1' H 1 6.518 . . . . . . . A 13 DC H1' . 30907 1 110 . 1 . 1 13 13 DC H2' H 1 2.422 . . . . . . . A 13 DC H2' . 30907 1 111 . 1 . 1 13 13 DC H2'' H 1 2.769 . . . . . . . A 13 DC H2'' . 30907 1 112 . 1 . 1 13 13 DC H3' H 1 5.111 . . . . . . . A 13 DC H3' . 30907 1 113 . 1 . 1 13 13 DC H4' H 1 4.623 . . . . . . . A 13 DC H4' . 30907 1 114 . 1 . 1 13 13 DC H5 H 1 6.204 . . . . . . . A 13 DC H5 . 30907 1 115 . 1 . 1 13 13 DC H5' H 1 4.312 . . . . . . . A 13 DC H5' . 30907 1 116 . 1 . 1 13 13 DC H5'' H 1 4.413 . . . . . . . A 13 DC H5'' . 30907 1 117 . 1 . 1 13 13 DC H6 H 1 8.043 . . . . . . . A 13 DC H6 . 30907 1 118 . 1 . 1 14 14 DG H1 H 1 11.282 . . . . . . . A 14 DG H1 . 30907 1 119 . 1 . 1 14 14 DG H1' H 1 6.034 . . . . . . . A 14 DG H1' . 30907 1 120 . 1 . 1 14 14 DG H2' H 1 2.333 . . . . . . . A 14 DG H2' . 30907 1 121 . 1 . 1 14 14 DG H2'' H 1 2.852 . . . . . . . A 14 DG H2'' . 30907 1 122 . 1 . 1 14 14 DG H3' H 1 5.163 . . . . . . . A 14 DG H3' . 30907 1 123 . 1 . 1 14 14 DG H4' H 1 4.501 . . . . . . . A 14 DG H4' . 30907 1 124 . 1 . 1 14 14 DG H5' H 1 4.293 . . . . . . . A 14 DG H5' . 30907 1 125 . 1 . 1 14 14 DG H5'' H 1 4.374 . . . . . . . A 14 DG H5'' . 30907 1 126 . 1 . 1 14 14 DG H8 H 1 7.905 . . . . . . . A 14 DG H8 . 30907 1 127 . 1 . 1 15 15 DG H1 H 1 11.297 . . . . . . . A 15 DG H1 . 30907 1 128 . 1 . 1 15 15 DG H1' H 1 5.977 . . . . . . . A 15 DG H1' . 30907 1 129 . 1 . 1 15 15 DG H2' H 1 2.678 . . . . . . . A 15 DG H2' . 30907 1 130 . 1 . 1 15 15 DG H2'' H 1 2.682 . . . . . . . A 15 DG H2'' . 30907 1 131 . 1 . 1 15 15 DG H3' H 1 5.105 . . . . . . . A 15 DG H3' . 30907 1 132 . 1 . 1 15 15 DG H4' H 1 4.528 . . . . . . . A 15 DG H4' . 30907 1 133 . 1 . 1 15 15 DG H5' H 1 4.294 . . . . . . . A 15 DG H5' . 30907 1 134 . 1 . 1 15 15 DG H5'' H 1 4.210 . . . . . . . A 15 DG H5'' . 30907 1 135 . 1 . 1 15 15 DG H8 H 1 7.888 . . . . . . . A 15 DG H8 . 30907 1 136 . 1 . 1 16 16 DG H1 H 1 10.830 . . . . . . . A 16 DG H1 . 30907 1 137 . 1 . 1 16 16 DG H1' H 1 6.152 . . . . . . . A 16 DG H1' . 30907 1 138 . 1 . 1 16 16 DG H2' H 1 2.234 . . . . . . . A 16 DG H2' . 30907 1 139 . 1 . 1 16 16 DG H2'' H 1 2.539 . . . . . . . A 16 DG H2'' . 30907 1 140 . 1 . 1 16 16 DG H3' H 1 5.044 . . . . . . . A 16 DG H3' . 30907 1 141 . 1 . 1 16 16 DG H4' H 1 4.515 . . . . . . . A 16 DG H4' . 30907 1 142 . 1 . 1 16 16 DG H5' H 1 4.303 . . . . . . . A 16 DG H5' . 30907 1 143 . 1 . 1 16 16 DG H5'' H 1 4.206 . . . . . . . A 16 DG H5'' . 30907 1 144 . 1 . 1 16 16 DG H8 H 1 7.501 . . . . . . . A 16 DG H8 . 30907 1 145 . 1 . 1 17 17 DA H1' H 1 6.166 . . . . . . . A 17 DA H1' . 30907 1 146 . 1 . 1 17 17 DA H2 H 1 7.797 . . . . . . . A 17 DA H2 . 30907 1 147 . 1 . 1 17 17 DA H2' H 1 2.744 . . . . . . . A 17 DA H2' . 30907 1 148 . 1 . 1 17 17 DA H2'' H 1 2.633 . . . . . . . A 17 DA H2'' . 30907 1 149 . 1 . 1 17 17 DA H3' H 1 4.988 . . . . . . . A 17 DA H3' . 30907 1 150 . 1 . 1 17 17 DA H4' H 1 4.429 . . . . . . . A 17 DA H4' . 30907 1 151 . 1 . 1 17 17 DA H5' H 1 4.206 . . . . . . . A 17 DA H5' . 30907 1 152 . 1 . 1 17 17 DA H5'' H 1 4.211 . . . . . . . A 17 DA H5'' . 30907 1 153 . 1 . 1 17 17 DA H8 H 1 8.329 . . . . . . . A 17 DA H8 . 30907 1 154 . 1 . 1 18 18 DC H1' H 1 5.837 . . . . . . . A 18 DC H1' . 30907 1 155 . 1 . 1 18 18 DC H2' H 1 1.718 . . . . . . . A 18 DC H2' . 30907 1 156 . 1 . 1 18 18 DC H2'' H 1 2.101 . . . . . . . A 18 DC H2'' . 30907 1 157 . 1 . 1 18 18 DC H3' H 1 4.588 . . . . . . . A 18 DC H3' . 30907 1 158 . 1 . 1 18 18 DC H4' H 1 3.989 . . . . . . . A 18 DC H4' . 30907 1 159 . 1 . 1 18 18 DC H5 H 1 5.673 . . . . . . . A 18 DC H5 . 30907 1 160 . 1 . 1 18 18 DC H5' H 1 3.988 . . . . . . . A 18 DC H5' . 30907 1 161 . 1 . 1 18 18 DC H5'' H 1 3.947 . . . . . . . A 18 DC H5'' . 30907 1 162 . 1 . 1 18 18 DC H6 H 1 7.442 . . . . . . . A 18 DC H6 . 30907 1 163 . 1 . 1 19 19 DA H1' H 1 5.984 . . . . . . . A 19 DA H1' . 30907 1 164 . 1 . 1 19 19 DA H2 H 1 7.748 . . . . . . . A 19 DA H2 . 30907 1 165 . 1 . 1 19 19 DA H2' H 1 2.414 . . . . . . . A 19 DA H2' . 30907 1 166 . 1 . 1 19 19 DA H2'' H 1 2.262 . . . . . . . A 19 DA H2'' . 30907 1 167 . 1 . 1 19 19 DA H3' H 1 4.446 . . . . . . . A 19 DA H3' . 30907 1 168 . 1 . 1 19 19 DA H4' H 1 3.917 . . . . . . . A 19 DA H4' . 30907 1 169 . 1 . 1 19 19 DA H5' H 1 3.816 . . . . . . . A 19 DA H5' . 30907 1 170 . 1 . 1 19 19 DA H5'' H 1 3.758 . . . . . . . A 19 DA H5'' . 30907 1 171 . 1 . 1 19 19 DA H8 H 1 7.998 . . . . . . . A 19 DA H8 . 30907 1 172 . 2 . 2 1 1 DGP HN1 H 1 11.363 . . . . . . . B 101 DGP HN1 . 30907 1 173 . 2 . 2 1 1 DGP H1' H 1 6.298 . . . . . . . B 101 DGP H1' . 30907 1 174 . 2 . 2 1 1 DGP H2' H 1 2.488 . . . . . . . B 101 DGP H2' . 30907 1 175 . 2 . 2 1 1 DGP H2'' H 1 2.795 . . . . . . . B 101 DGP H2'' . 30907 1 176 . 2 . 2 1 1 DGP H3' H 1 4.699 . . . . . . . B 101 DGP H3' . 30907 1 177 . 2 . 2 1 1 DGP H4' H 1 4.205 . . . . . . . B 101 DGP H4' . 30907 1 178 . 2 . 2 1 1 DGP H5' H 1 3.948 . . . . . . . B 101 DGP H5' . 30907 1 179 . 2 . 2 1 1 DGP H5'' H 1 4.003 . . . . . . . B 101 DGP H5'' . 30907 1 180 . 2 . 2 1 1 DGP H8 H 1 8.141 . . . . . . . B 101 DGP H8 . 30907 1 181 . 3 . 3 1 1 BER H51 H 1 6.713 . . . . . . . C 102 BER H51 . 30907 1 182 . 3 . 3 1 1 BER H91 H 1 6.100 . . . . . . . C 102 BER H91 . 30907 1 183 . 3 . 3 1 1 BER H101 H 1 2.684 . . . . . . . C 102 BER H101 . 30907 1 184 . 3 . 3 1 1 BER H102 H 1 2.782 . . . . . . . C 102 BER H102 . 30907 1 185 . 3 . 3 1 1 BER H71 H 1 4.627 . . . . . . . C 102 BER H71 . 30907 1 186 . 3 . 3 1 1 BER H72 H 1 4.570 . . . . . . . C 102 BER H72 . 30907 1 187 . 3 . 3 1 1 BER H61 H 1 9.015 . . . . . . . C 102 BER H61 . 30907 1 188 . 3 . 3 1 1 BER H161 H 1 7.465 . . . . . . . C 102 BER H161 . 30907 1 189 . 3 . 3 1 1 BER H131 H 1 7.235 . . . . . . . C 102 BER H131 . 30907 1 190 . 3 . 3 1 1 BER H31 H 1 7.845 . . . . . . . C 102 BER H31 . 30907 1 191 . 3 . 3 1 1 BER H191 H 1 3.748 . . . . . . . C 102 BER H191 . 30907 1 192 . 3 . 3 1 1 BER H201 H 1 3.854 . . . . . . . C 102 BER H201 . 30907 1 193 . 3 . 3 1 1 BER H171 H 1 5.810 . . . . . . . C 102 BER H171 . 30907 1 194 . 3 . 3 1 1 BER H172 H 1 5.853 . . . . . . . C 102 BER H172 . 30907 1 stop_ save_