################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5134 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.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 DG H8 H 1 7.928 0.002 . 1 . . . . . . . . 5134 1 2 . 1 1 1 1 DG H1' H 1 5.948 0.002 . 1 . . . . . . . . 5134 1 3 . 1 1 1 1 DG H2' H 1 2.610 0.002 . 1 . . . . . . . . 5134 1 4 . 1 1 1 1 DG H2'' H 1 2.782 0.002 . 1 . . . . . . . . 5134 1 5 . 1 1 1 1 DG H3' H 1 4.848 0.002 . 1 . . . . . . . . 5134 1 6 . 1 1 1 1 DG H4' H 1 4.257 0.002 . 1 . . . . . . . . 5134 1 7 . 1 1 1 1 DG H5' H 1 3.725 0.002 . 1 . . . . . . . . 5134 1 8 . 1 1 1 1 DG H1 H 1 12.81 0.002 . 1 . . . . . . . . 5134 1 9 . 1 1 1 1 DG P P 31 0.748 0.002 . 1 . . . . . . . . 5134 1 10 . 1 1 2 2 DC H6 H 1 7.477 0.002 . 1 . . . . . . . . 5134 1 11 . 1 1 2 2 DC H5 H 1 5.422 0.002 . 1 . . . . . . . . 5134 1 12 . 1 1 2 2 DC H1' H 1 5.673 0.002 . 1 . . . . . . . . 5134 1 13 . 1 1 2 2 DC H2' H 1 2.182 0.002 . 1 . . . . . . . . 5134 1 14 . 1 1 2 2 DC H2'' H 1 2.493 0.002 . 1 . . . . . . . . 5134 1 15 . 1 1 2 2 DC H3' H 1 4.907 0.002 . 1 . . . . . . . . 5134 1 16 . 1 1 2 2 DC H4' H 1 4.212 0.002 . 1 . . . . . . . . 5134 1 17 . 1 1 2 2 DC P P 31 0.430 0.002 . 1 . . . . . . . . 5134 1 18 . 1 1 3 3 DA H8 H 1 8.386 0.002 . 1 . . . . . . . . 5134 1 19 . 1 1 3 3 DA H2 H 1 7.744 0.002 . 1 . . . . . . . . 5134 1 20 . 1 1 3 3 DA H1' H 1 6.321 0.002 . 1 . . . . . . . . 5134 1 21 . 1 1 3 3 DA H2' H 1 2.756 0.002 . 1 . . . . . . . . 5134 1 22 . 1 1 3 3 DA H2'' H 1 2.994 0.002 . 1 . . . . . . . . 5134 1 23 . 1 1 3 3 DA H3' H 1 5.062 0.002 . 1 . . . . . . . . 5134 1 24 . 1 1 3 3 DA H4' H 1 4.458 0.002 . 1 . . . . . . . . 5134 1 25 . 1 1 3 3 DA H5' H 1 4.116 0.002 . 1 . . . . . . . . 5134 1 26 . 1 1 3 3 DA H5'' H 1 4.210 0.002 . 1 . . . . . . . . 5134 1 27 . 1 1 3 3 DA P P 31 0.930 0.002 . 1 . . . . . . . . 5134 1 28 . 1 1 4 4 DT H6 H 1 7.198 0.002 . 1 . . . . . . . . 5134 1 29 . 1 1 4 4 DT H71 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 30 . 1 1 4 4 DT H72 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 31 . 1 1 4 4 DT H73 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 32 . 1 1 4 4 DT H1' H 1 5.920 0.002 . 1 . . . . . . . . 5134 1 33 . 1 1 4 4 DT H2' H 1 2.003 0.002 . 1 . . . . . . . . 5134 1 34 . 1 1 4 4 DT H2'' H 1 2.419 0.002 . 1 . . . . . . . . 5134 1 35 . 1 1 4 4 DT H3' H 1 4.858 0.002 . 1 . . . . . . . . 5134 1 36 . 1 1 4 4 DT H4' H 1 4.172 0.002 . 1 . . . . . . . . 5134 1 37 . 1 1 4 4 DT H5' H 1 4.315 0.002 . 1 . . . . . . . . 5134 1 38 . 1 1 4 4 DT H5'' H 1 4.457 0.002 . 1 . . . . . . . . 5134 1 39 . 1 1 4 4 DT H3 H 1 13.62 0.002 . 1 . . . . . . . . 5134 1 40 . 1 1 4 4 DT P P 31 0.660 0.002 . 1 . . . . . . . . 5134 1 41 . 1 1 5 5 DC H6 H 1 7.461 0.002 . 1 . . . . . . . . 5134 1 42 . 1 1 5 5 DC H5 H 1 5.681 0.002 . 1 . . . . . . . . 5134 1 43 . 1 1 5 5 DC H1' H 1 5.442 0.002 . 1 . . . . . . . . 5134 1 44 . 1 1 5 5 DC H2' H 1 1.978 0.002 . 1 . . . . . . . . 5134 1 45 . 1 1 5 5 DC H2'' H 1 2.284 0.002 . 1 . . . . . . . . 5134 1 46 . 1 1 5 5 DC H3' H 1 4.805 0.002 . 1 . . . . . . . . 5134 1 47 . 1 1 5 5 DC H4' H 1 4.072 0.002 . 1 . . . . . . . . 5134 1 48 . 1 1 5 5 DC P P 31 0.317 0.002 . 1 . . . . . . . . 5134 1 49 . 1 1 6 6 DG H8 H 1 7.789 0.002 . 1 . . . . . . . . 5134 1 50 . 1 1 6 6 DG H1' H 1 5.641 0.002 . 1 . . . . . . . . 5134 1 51 . 1 1 6 6 DG H2' H 1 2.524 0.002 . 1 . . . . . . . . 5134 1 52 . 1 1 6 6 DG H2'' H 1 2.654 0.002 . 1 . . . . . . . . 5134 1 53 . 1 1 6 6 DG H3' H 1 4.939 0.002 . 1 . . . . . . . . 5134 1 54 . 1 1 6 6 DG H4' H 1 4.301 0.002 . 1 . . . . . . . . 5134 1 55 . 1 1 6 6 DG H5' H 1 3.980 0.002 . 1 . . . . . . . . 5134 1 56 . 1 1 6 6 DG H1 H 1 12.77 0.002 . 1 . . . . . . . . 5134 1 57 . 1 1 6 6 DG P P 31 0.906 0.002 . 1 . . . . . . . . 5134 1 58 . 1 1 7 7 DA H8 H 1 7.786 0.002 . 1 . . . . . . . . 5134 1 59 . 1 1 7 7 DA H2 H 1 7.514 0.002 . 1 . . . . . . . . 5134 1 60 . 1 1 7 7 DA H1' H 1 5.835 0.002 . 1 . . . . . . . . 5134 1 61 . 1 1 7 7 DA H2' H 1 2.187 0.002 . 1 . . . . . . . . 5134 1 62 . 1 1 7 7 DA H2'' H 1 2.497 0.002 . 1 . . . . . . . . 5134 1 63 . 1 1 7 7 DA H3' H 1 4.858 0.002 . 1 . . . . . . . . 5134 1 64 . 1 1 7 7 DA H4' H 1 4.249 0.002 . 1 . . . . . . . . 5134 1 65 . 1 1 7 7 DA P P 31 0.612 0.002 . 1 . . . . . . . . 5134 1 66 . 1 1 8 8 DA H8 H 1 8.040 0.002 . 1 . . . . . . . . 5134 1 67 . 1 1 8 8 DA H2 H 1 7.650 0.002 . 1 . . . . . . . . 5134 1 68 . 1 1 8 8 DA H1' H 1 5.959 0.002 . 1 . . . . . . . . 5134 1 69 . 1 1 8 8 DA H2' H 1 2.466 0.002 . 1 . . . . . . . . 5134 1 70 . 1 1 8 8 DA H2'' H 1 2.493 0.002 . 1 . . . . . . . . 5134 1 71 . 1 1 8 8 DA H3' H 1 4.857 0.002 . 1 . . . . . . . . 5134 1 72 . 1 1 8 8 DA H4' H 1 4.235 0.002 . 1 . . . . . . . . 5134 1 73 . 1 1 8 8 DA H5' H 1 4.040 0.002 . 1 . . . . . . . . 5134 1 74 . 1 1 8 8 DA H5'' H 1 4.100 0.002 . 1 . . . . . . . . 5134 1 75 . 1 1 8 8 DA P P 31 0.681 0.002 . 1 . . . . . . . . 5134 1 76 . 1 1 9 9 DU H6 H 1 7.183 0.002 . 1 . . . . . . . . 5134 1 77 . 1 1 9 9 DU H5 H 1 5.341 0.002 . 1 . . . . . . . . 5134 1 78 . 1 1 9 9 DU H1' H 1 5.662 0.002 . 1 . . . . . . . . 5134 1 79 . 1 1 9 9 DU H2' H 1 1.565 0.002 . 1 . . . . . . . . 5134 1 80 . 1 1 9 9 DU H2'' H 1 1.954 0.002 . 1 . . . . . . . . 5134 1 81 . 1 1 9 9 DU H3' H 1 4.488 0.002 . 1 . . . . . . . . 5134 1 82 . 1 1 9 9 DU H4' H 1 3.758 0.002 . 1 . . . . . . . . 5134 1 83 . 1 1 9 9 DU H5' H 1 3.722 0.002 . 1 . . . . . . . . 5134 1 84 . 1 1 9 9 DU H5'' H 1 3.797 0.002 . 1 . . . . . . . . 5134 1 85 . 1 1 9 9 DU P P 31 0.513 0.002 . 1 . . . . . . . . 5134 1 86 . 1 1 10 10 DA H8 H 1 7.887 0.002 . 1 . . . . . . . . 5134 1 87 . 1 1 10 10 DA H2 H 1 7.776 0.002 . 1 . . . . . . . . 5134 1 88 . 1 1 10 10 DA H1' H 1 5.761 0.002 . 1 . . . . . . . . 5134 1 89 . 1 1 10 10 DA H2' H 1 2.330 0.002 . 1 . . . . . . . . 5134 1 90 . 1 1 10 10 DA H2'' H 1 2.435 0.002 . 1 . . . . . . . . 5134 1 91 . 1 1 10 10 DA H3' H 1 4.737 0.002 . 1 . . . . . . . . 5134 1 92 . 1 1 10 10 DA H4' H 1 4.014 0.002 . 1 . . . . . . . . 5134 1 93 . 1 1 10 10 DA H5' H 1 3.637 0.002 . 1 . . . . . . . . 5134 1 94 . 1 1 10 10 DA H5'' H 1 3.744 0.002 . 1 . . . . . . . . 5134 1 95 . 1 1 10 10 DA P P 31 0.945 0.002 . 1 . . . . . . . . 5134 1 96 . 1 1 11 11 DA H8 H 1 8.024 0.002 . 1 . . . . . . . . 5134 1 97 . 1 1 11 11 DA H2 H 1 7.586 0.002 . 1 . . . . . . . . 5134 1 98 . 1 1 11 11 DA H1' H 1 5.309 0.002 . 1 . . . . . . . . 5134 1 99 . 1 1 11 11 DA H2' H 1 2.474 0.002 . 1 . . . . . . . . 5134 1 100 . 1 1 11 11 DA H2'' H 1 2.494 0.002 . 1 . . . . . . . . 5134 1 101 . 1 1 11 11 DA H3' H 1 4.845 0.002 . 1 . . . . . . . . 5134 1 102 . 1 1 11 11 DA H4' H 1 4.237 0.002 . 1 . . . . . . . . 5134 1 103 . 1 1 11 11 DA H5' H 1 3.973 0.002 . 1 . . . . . . . . 5134 1 104 . 1 1 11 11 DA H5'' H 1 4.012 0.002 . 1 . . . . . . . . 5134 1 105 . 1 1 11 11 DA P P 31 0.403 0.002 . 1 . . . . . . . . 5134 1 106 . 1 1 12 12 DG H8 H 1 7.894 0.002 . 1 . . . . . . . . 5134 1 107 . 1 1 12 12 DG H1' H 1 5.815 0.002 . 1 . . . . . . . . 5134 1 108 . 1 1 12 12 DG H2' H 1 2.696 0.002 . 1 . . . . . . . . 5134 1 109 . 1 1 12 12 DG H2'' H 1 2.696 0.002 . 1 . . . . . . . . 5134 1 110 . 1 1 12 12 DG H3' H 1 4.981 0.002 . 1 . . . . . . . . 5134 1 111 . 1 1 12 12 DG H4' H 1 4.373 0.002 . 1 . . . . . . . . 5134 1 112 . 1 1 12 12 DG H1 H 1 12.50 0.002 . 1 . . . . . . . . 5134 1 113 . 1 1 12 12 DG P P 31 0.665 0.002 . 1 . . . . . . . . 5134 1 114 . 1 1 13 13 DC H6 H 1 7.425 0.002 . 1 . . . . . . . . 5134 1 115 . 1 1 13 13 DC H5 H 1 5.342 0.002 . 1 . . . . . . . . 5134 1 116 . 1 1 13 13 DC H1' H 1 5.963 0.002 . 1 . . . . . . . . 5134 1 117 . 1 1 13 13 DC H2' H 1 2.068 0.002 . 1 . . . . . . . . 5134 1 118 . 1 1 13 13 DC H2'' H 1 2.484 0.002 . 1 . . . . . . . . 5134 1 119 . 1 1 13 13 DC H3' H 1 4.758 0.002 . 1 . . . . . . . . 5134 1 120 . 1 1 13 13 DC H4' H 1 4.239 0.002 . 1 . . . . . . . . 5134 1 121 . 1 1 13 13 DC P P 31 0.866 0.002 . 1 . . . . . . . . 5134 1 122 . 1 1 14 14 DT H6 H 1 7.408 0.002 . 1 . . . . . . . . 5134 1 123 . 1 1 14 14 DT H71 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 124 . 1 1 14 14 DT H72 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 125 . 1 1 14 14 DT H73 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 126 . 1 1 14 14 DT H1' H 1 5.647 0.002 . 1 . . . . . . . . 5134 1 127 . 1 1 14 14 DT H2' H 1 2.140 0.002 . 1 . . . . . . . . 5134 1 128 . 1 1 14 14 DT H2'' H 1 2.450 0.002 . 1 . . . . . . . . 5134 1 129 . 1 1 14 14 DT H3' H 1 4.893 0.002 . 1 . . . . . . . . 5134 1 130 . 1 1 14 14 DT H4' H 1 4.173 0.002 . 1 . . . . . . . . 5134 1 131 . 1 1 14 14 DT H3 H 1 13.84 0.002 . 1 . . . . . . . . 5134 1 132 . 1 1 14 14 DT P P 31 0.636 0.002 . 1 . . . . . . . . 5134 1 133 . 1 1 15 15 DA H8 H 1 8.336 0.002 . 1 . . . . . . . . 5134 1 134 . 1 1 15 15 DA H2 H 1 7.557 0.002 . 1 . . . . . . . . 5134 1 135 . 1 1 15 15 DA H1' H 1 6.216 0.002 . 1 . . . . . . . . 5134 1 136 . 1 1 15 15 DA H2' H 1 2.739 0.002 . 1 . . . . . . . . 5134 1 137 . 1 1 15 15 DA H2'' H 1 2.869 0.002 . 1 . . . . . . . . 5134 1 138 . 1 1 15 15 DA H3' H 1 5.054 0.002 . 1 . . . . . . . . 5134 1 139 . 1 1 15 15 DA H4' H 1 4.452 0.002 . 1 . . . . . . . . 5134 1 140 . 1 1 15 15 DA H5' H 1 4.107 0.002 . 1 . . . . . . . . 5134 1 141 . 1 1 15 15 DA H5'' H 1 4.180 0.002 . 1 . . . . . . . . 5134 1 142 . 1 1 15 15 DA P P 31 0.651 0.002 . 1 . . . . . . . . 5134 1 143 . 1 1 16 16 DC H6 H 1 7.284 0.002 . 1 . . . . . . . . 5134 1 144 . 1 1 16 16 DC H5 H 1 5.381 0.002 . 1 . . . . . . . . 5134 1 145 . 1 1 16 16 DC H1' H 1 5.652 0.002 . 1 . . . . . . . . 5134 1 146 . 1 1 16 16 DC H2' H 1 1.848 0.002 . 1 . . . . . . . . 5134 1 147 . 1 1 16 16 DC H2'' H 1 2.277 0.002 . 1 . . . . . . . . 5134 1 148 . 1 1 16 16 DC H3' H 1 4.781 0.002 . 1 . . . . . . . . 5134 1 149 . 1 1 16 16 DC H4' H 1 4.168 0.002 . 1 . . . . . . . . 5134 1 150 . 1 1 16 16 DC H5' H 1 4.141 0.002 . 1 . . . . . . . . 5134 1 151 . 1 1 16 16 DC H5'' H 1 4.272 0.002 . 1 . . . . . . . . 5134 1 152 . 1 1 16 16 DC P P 31 0.402 0.002 . 1 . . . . . . . . 5134 1 153 . 1 1 17 17 DG H8 H 1 7.871 0.002 . 1 . . . . . . . . 5134 1 154 . 1 1 17 17 DG H1' H 1 6.113 0.002 . 1 . . . . . . . . 5134 1 155 . 1 1 17 17 DG H2' H 1 2.582 0.002 . 1 . . . . . . . . 5134 1 156 . 1 1 17 17 DG H2'' H 1 2.365 0.002 . 1 . . . . . . . . 5134 1 157 . 1 1 17 17 DG H3' H 1 4.655 0.002 . 1 . . . . . . . . 5134 1 158 . 1 1 17 17 DG H4' H 1 4.162 0.002 . 1 . . . . . . . . 5134 1 159 . 1 1 17 17 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 1 stop_ save_ ################################### # 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5134 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5134 2 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.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 . 2 2 1 1 DC H6 H 1 7.620 0.002 . 1 . . . . . . . . 5134 2 2 . 2 2 1 1 DC H5 H 1 5.867 0.002 . 1 . . . . . . . . 5134 2 3 . 2 2 1 1 DC H1' H 1 5.747 0.002 . 1 . . . . . . . . 5134 2 4 . 2 2 1 1 DC H2' H 1 2.014 0.002 . 1 . . . . . . . . 5134 2 5 . 2 2 1 1 DC H2'' H 1 2.417 0.002 . 1 . . . . . . . . 5134 2 6 . 2 2 1 1 DC H3' H 1 4.692 0.002 . 1 . . . . . . . . 5134 2 7 . 2 2 1 1 DC H4' H 1 4.065 0.002 . 1 . . . . . . . . 5134 2 8 . 2 2 1 1 DC H5' H 1 3.719 0.002 . 1 . . . . . . . . 5134 2 9 . 2 2 1 1 DC H5'' H 1 4.007 0.002 . 1 . . . . . . . . 5134 2 10 . 2 2 1 1 DC P P 31 0.540 0.002 . 1 . . . . . . . . 5134 2 11 . 2 2 2 2 DG H8 H 1 7.975 0.002 . 1 . . . . . . . . 5134 2 12 . 2 2 2 2 DG H1' H 1 5.972 0.002 . 1 . . . . . . . . 5134 2 13 . 2 2 2 2 DG H2' H 1 2.675 0.002 . 1 . . . . . . . . 5134 2 14 . 2 2 2 2 DG H2'' H 1 2.784 0.002 . 1 . . . . . . . . 5134 2 15 . 2 2 2 2 DG H3' H 1 4.971 0.002 . 1 . . . . . . . . 5134 2 16 . 2 2 2 2 DG H4' H 1 4.360 0.002 . 1 . . . . . . . . 5134 2 17 . 2 2 2 2 DG H1 H 1 12.71 0.002 . 1 . . . . . . . . 5134 2 18 . 2 2 2 2 DG P P 31 0.969 0.002 . 1 . . . . . . . . 5134 2 19 . 2 2 3 3 DT H6 H 1 7.262 0.002 . 1 . . . . . . . . 5134 2 20 . 2 2 3 3 DT H71 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 21 . 2 2 3 3 DT H72 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 22 . 2 2 3 3 DT H73 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 23 . 2 2 3 3 DT H1' H 1 5.608 0.002 . 1 . . . . . . . . 5134 2 24 . 2 2 3 3 DT H2' H 1 2.086 0.002 . 1 . . . . . . . . 5134 2 25 . 2 2 3 3 DT H2'' H 1 2.396 0.002 . 1 . . . . . . . . 5134 2 26 . 2 2 3 3 DT H3' H 1 4.870 0.002 . 1 . . . . . . . . 5134 2 27 . 2 2 3 3 DT H4' H 1 4.179 0.002 . 1 . . . . . . . . 5134 2 28 . 2 2 3 3 DT H5' H 1 4.044 0.002 . 1 . . . . . . . . 5134 2 29 . 2 2 3 3 DT H5'' H 1 4.123 0.002 . 1 . . . . . . . . 5134 2 30 . 2 2 3 3 DT H3 H 1 13.63 0.002 . 1 . . . . . . . . 5134 2 31 . 2 2 3 3 DT P P 31 0.594 0.002 . 1 . . . . . . . . 5134 2 32 . 2 2 4 4 DA H8 H 1 8.200 0.002 . 1 . . . . . . . . 5134 2 33 . 2 2 4 4 DA H2 H 1 7.460 0.002 . 1 . . . . . . . . 5134 2 34 . 2 2 4 4 DA H1' H 1 6.055 0.002 . 1 . . . . . . . . 5134 2 35 . 2 2 4 4 DA H2' H 1 2.741 0.002 . 1 . . . . . . . . 5134 2 36 . 2 2 4 4 DA H2'' H 1 2.909 0.002 . 1 . . . . . . . . 5134 2 37 . 2 2 4 4 DA H3' H 1 5.064 0.002 . 1 . . . . . . . . 5134 2 38 . 2 2 4 4 DA H4' H 1 4.419 0.002 . 1 . . . . . . . . 5134 2 39 . 2 2 4 4 DA H5' H 1 4.043 0.002 . 1 . . . . . . . . 5134 2 40 . 2 2 4 4 DA H5'' H 1 4.169 0.002 . 1 . . . . . . . . 5134 2 41 . 2 2 4 4 DA P P 31 0.661 0.002 . 1 . . . . . . . . 5134 2 42 . 2 2 5 5 DG H8 H 1 7.678 0.002 . 1 . . . . . . . . 5134 2 43 . 2 2 5 5 DG H1' H 1 5.784 0.002 . 1 . . . . . . . . 5134 2 44 . 2 2 5 5 DG H2' H 1 2.492 0.002 . 1 . . . . . . . . 5134 2 45 . 2 2 5 5 DG H2'' H 1 2.665 0.002 . 1 . . . . . . . . 5134 2 46 . 2 2 5 5 DG H3' H 1 5.021 0.002 . 1 . . . . . . . . 5134 2 47 . 2 2 5 5 DG H4' H 1 4.401 0.002 . 1 . . . . . . . . 5134 2 48 . 2 2 5 5 DG H5' H 1 4.242 0.002 . 1 . . . . . . . . 5134 2 49 . 2 2 5 5 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 2 50 . 2 2 5 5 DG P P 31 0.722 0.002 . 1 . . . . . . . . 5134 2 51 . 2 2 6 6 DC H6 H 1 7.463 0.002 . 1 . . . . . . . . 5134 2 52 . 2 2 6 6 DC H5 H 1 5.408 0.002 . 1 . . . . . . . . 5134 2 53 . 2 2 6 6 DC H1' H 1 6.252 0.002 . 1 . . . . . . . . 5134 2 54 . 2 2 6 6 DC H2' H 1 2.262 0.002 . 1 . . . . . . . . 5134 2 55 . 2 2 6 6 DC H2'' H 1 2.289 0.002 . 1 . . . . . . . . 5134 2 56 . 2 2 6 6 DC H3' H 1 4.776 0.002 . 1 . . . . . . . . 5134 2 57 . 2 2 6 6 DC H4' H 1 4.320 0.002 . 1 . . . . . . . . 5134 2 58 . 2 2 6 6 DC P P 31 0.306 0.002 . 1 . . . . . . . . 5134 2 59 . 2 2 7 7 DC H6 H 1 7.808 0.002 . 1 . . . . . . . . 5134 2 60 . 2 2 7 7 DC H5 H 1 6.121 0.002 . 1 . . . . . . . . 5134 2 61 . 2 2 7 7 DC H1' H 1 5.972 0.002 . 1 . . . . . . . . 5134 2 62 . 2 2 7 7 DC H2' H 1 2.172 0.002 . 1 . . . . . . . . 5134 2 63 . 2 2 7 7 DC H2'' H 1 2.547 0.002 . 1 . . . . . . . . 5134 2 64 . 2 2 7 7 DC H3' H 1 4.953 0.002 . 1 . . . . . . . . 5134 2 65 . 2 2 7 7 DC H4' H 1 4.313 0.002 . 1 . . . . . . . . 5134 2 66 . 2 2 7 7 DC P P 31 0.720 0.002 . 1 . . . . . . . . 5134 2 67 . 2 2 8 8 DG H8 H 1 7.969 0.002 . 1 . . . . . . . . 5134 2 68 . 2 2 8 8 DG H1' H 1 5.503 0.002 . 1 . . . . . . . . 5134 2 69 . 2 2 8 8 DG H2' H 1 2.721 0.002 . 1 . . . . . . . . 5134 2 70 . 2 2 8 8 DG H2'' H 1 2.787 0.002 . 1 . . . . . . . . 5134 2 71 . 2 2 8 8 DG H3' H 1 5.008 0.002 . 1 . . . . . . . . 5134 2 72 . 2 2 8 8 DG H4' H 1 4.315 0.002 . 1 . . . . . . . . 5134 2 73 . 2 2 8 8 DG H5' H 1 4.039 0.002 . 1 . . . . . . . . 5134 2 74 . 2 2 8 8 DG H5'' H 1 4.119 0.002 . 1 . . . . . . . . 5134 2 75 . 2 2 8 8 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 2 76 . 2 2 8 8 DG P P 31 0.499 0.002 . 1 . . . . . . . . 5134 2 77 . 2 2 9 9 DA H8 H 1 8.242 0.002 . 1 . . . . . . . . 5134 2 78 . 2 2 9 9 DA H2 H 1 7.821 0.002 . 1 . . . . . . . . 5134 2 79 . 2 2 9 9 DA H1' H 1 6.257 0.002 . 1 . . . . . . . . 5134 2 80 . 2 2 9 9 DA H2' H 1 2.653 0.002 . 1 . . . . . . . . 5134 2 81 . 2 2 9 9 DA H2'' H 1 2.926 0.002 . 1 . . . . . . . . 5134 2 82 . 2 2 9 9 DA H3' H 1 5.024 0.002 . 1 . . . . . . . . 5134 2 83 . 2 2 9 9 DA H4' H 1 4.458 0.002 . 1 . . . . . . . . 5134 2 84 . 2 2 9 9 DA H5' H 1 4.202 0.002 . 1 . . . . . . . . 5134 2 85 . 2 2 9 9 DA H5'' H 1 4.252 0.002 . 1 . . . . . . . . 5134 2 86 . 2 2 9 9 DA P P 31 0.933 0.002 . 1 . . . . . . . . 5134 2 87 . 2 2 10 10 DT H6 H 1 7.075 0.002 . 1 . . . . . . . . 5134 2 88 . 2 2 10 10 DT H71 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 89 . 2 2 10 10 DT H72 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 90 . 2 2 10 10 DT H73 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 91 . 2 2 10 10 DT H1' H 1 5.732 0.002 . 1 . . . . . . . . 5134 2 92 . 2 2 10 10 DT H2' H 1 1.930 0.002 . 1 . . . . . . . . 5134 2 93 . 2 2 10 10 DT H2'' H 1 2.332 0.002 . 1 . . . . . . . . 5134 2 94 . 2 2 10 10 DT H3' H 1 4.845 0.002 . 1 . . . . . . . . 5134 2 95 . 2 2 10 10 DT H4' H 1 4.128 0.002 . 1 . . . . . . . . 5134 2 96 . 2 2 10 10 DT H5' H 1 4.253 0.002 . 1 . . . . . . . . 5134 2 97 . 2 2 10 10 DT H5'' H 1 4.069 0.002 . 1 . . . . . . . . 5134 2 98 . 2 2 10 10 DT H3 H 1 13.63 0.002 . 1 . . . . . . . . 5134 2 99 . 2 2 10 10 DT P P 31 0.685 0.002 . 1 . . . . . . . . 5134 2 100 . 2 2 11 11 DG H8 H 1 7.829 0.002 . 1 . . . . . . . . 5134 2 101 . 2 2 11 11 DG H1' H 1 5.909 0.002 . 1 . . . . . . . . 5134 2 102 . 2 2 11 11 DG H2' H 1 2.574 0.002 . 1 . . . . . . . . 5134 2 103 . 2 2 11 11 DG H2'' H 1 2.671 0.002 . 1 . . . . . . . . 5134 2 104 . 2 2 11 11 DG H3' H 1 4.959 0.002 . 1 . . . . . . . . 5134 2 105 . 2 2 11 11 DG H4' H 1 4.349 0.002 . 1 . . . . . . . . 5134 2 106 . 2 2 11 11 DG H1 H 1 12.77 0.002 . 1 . . . . . . . . 5134 2 107 . 2 2 11 11 DG P P 31 0.372 0.002 . 1 . . . . . . . . 5134 2 108 . 2 2 12 12 DC H6 H 1 7.360 0.002 . 1 . . . . . . . . 5134 2 109 . 2 2 12 12 DC H5 H 1 5.249 0.002 . 1 . . . . . . . . 5134 2 110 . 2 2 12 12 DC H1' H 1 6.141 0.002 . 1 . . . . . . . . 5134 2 111 . 2 2 12 12 DC H2' H 1 2.176 0.002 . 1 . . . . . . . . 5134 2 112 . 2 2 12 12 DC H2'' H 1 2.206 0.002 . 1 . . . . . . . . 5134 2 113 . 2 2 12 12 DC H3' H 1 4.475 0.002 . 1 . . . . . . . . 5134 2 114 . 2 2 12 12 DC H4' H 1 4.040 0.002 . 1 . . . . . . . . 5134 2 115 . 2 2 12 12 DC H5' H 1 4.236 0.002 . 1 . . . . . . . . 5134 2 116 . 2 2 12 12 DC H5'' H 1 4.257 0.002 . 1 . . . . . . . . 5134 2 stop_ save_