################################### # 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 30198 _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' . . . 30198 1 2 '2D 1H-1H NOESY' . . . 30198 1 3 '2D DQF-COSY' . . . 30198 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 DC H1' H 1 5.76493 . . . . . . . A 1 DC H1' . 30198 1 2 . 1 . 1 1 1 DC H2' H 1 1.96953 . . . . . . . A 1 DC H2' . 30198 1 3 . 1 . 1 1 1 DC H2'' H 1 2.40736 . . . . . . . A 1 DC H2'' . 30198 1 4 . 1 . 1 1 1 DC H3' H 1 4.70072 . . . . . . . A 1 DC H3' . 30198 1 5 . 1 . 1 1 1 DC H5 H 1 5.92119 . . . . . . . A 1 DC H5 . 30198 1 6 . 1 . 1 1 1 DC H6 H 1 7.63251 . . . . . . . A 1 DC H6 . 30198 1 7 . 1 . 1 2 2 DG H1' H 1 5.88909 . . . . . . . A 2 DG H1' . 30198 1 8 . 1 . 1 2 2 DG H2' H 1 2.65046 . . . . . . . A 2 DG H2' . 30198 1 9 . 1 . 1 2 2 DG H2'' H 1 2.72252 . . . . . . . A 2 DG H2'' . 30198 1 10 . 1 . 1 2 2 DG H3' H 1 4.96684 . . . . . . . A 2 DG H3' . 30198 1 11 . 1 . 1 2 2 DG H8 H 1 7.96021 . . . . . . . A 2 DG H8 . 30198 1 12 . 1 . 1 3 3 DC H1' H 1 6.0166 . . . . . . . A 3 DC H1' . 30198 1 13 . 1 . 1 3 3 DC H2' H 1 1.84534 . . . . . . . A 3 DC H2' . 30198 1 14 . 1 . 1 3 3 DC H2'' H 1 2.595 . . . . . . . A 3 DC H2'' . 30198 1 15 . 1 . 1 3 3 DC H3' H 1 4.85751 . . . . . . . A 3 DC H3' . 30198 1 16 . 1 . 1 3 3 DC H5 H 1 5.39741 . . . . . . . A 3 DC H5 . 30198 1 17 . 1 . 1 3 3 DC H6 H 1 7.38215 . . . . . . . A 3 DC H6 . 30198 1 18 . 1 . 1 4 4 8OG H1' H 1 5.14408 . . . . . . . A 4 8OG H1' . 30198 1 19 . 1 . 1 4 4 8OG H2' H 1 3.34432 . . . . . . . A 4 8OG H2' . 30198 1 20 . 1 . 1 4 4 8OG H2'' H 1 2.38815 . . . . . . . A 4 8OG H2'' . 30198 1 21 . 1 . 1 4 4 8OG H3' H 1 4.85392 . . . . . . . A 4 8OG H3' . 30198 1 22 . 1 . 1 5 5 DA H1' H 1 5.99607 . . . . . . . A 5 DA H1' . 30198 1 23 . 1 . 1 5 5 DA H2 H 1 7.23198 . . . . . . . A 5 DA H2 . 30198 1 24 . 1 . 1 5 5 DA H2' H 1 2.7002 . . . . . . . A 5 DA H2' . 30198 1 25 . 1 . 1 5 5 DA H2'' H 1 2.92828 . . . . . . . A 5 DA H2'' . 30198 1 26 . 1 . 1 5 5 DA H3' H 1 5.06151 . . . . . . . A 5 DA H3' . 30198 1 27 . 1 . 1 5 5 DA H8 H 1 8.19956 . . . . . . . A 5 DA H8 . 30198 1 28 . 1 . 1 6 6 DA H1' H 1 6.16747 . . . . . . . A 6 DA H1' . 30198 1 29 . 1 . 1 6 6 DA H2 H 1 7.61197 . . . . . . . A 6 DA H2 . 30198 1 30 . 1 . 1 6 6 DA H2' H 1 2.56536 . . . . . . . A 6 DA H2' . 30198 1 31 . 1 . 1 6 6 DA H2'' H 1 2.93081 . . . . . . . A 6 DA H2'' . 30198 1 32 . 1 . 1 6 6 DA H3' H 1 5.00414 . . . . . . . A 6 DA H3' . 30198 1 33 . 1 . 1 6 6 DA H8 H 1 8.13321 . . . . . . . A 6 DA H8 . 30198 1 34 . 1 . 1 7 7 DT H1' H 1 5.92019 . . . . . . . A 7 DT H1' . 30198 1 35 . 1 . 1 7 7 DT H2' H 1 1.98018 . . . . . . . A 7 DT H2' . 30198 1 36 . 1 . 1 7 7 DT H2'' H 1 2.55576 . . . . . . . A 7 DT H2'' . 30198 1 37 . 1 . 1 7 7 DT H3' H 1 4.8352 . . . . . . . A 7 DT H3' . 30198 1 38 . 1 . 1 7 7 DT H6 H 1 7.10671 . . . . . . . A 7 DT H6 . 30198 1 39 . 1 . 1 7 7 DT H71 H 1 1.26667 . . . . . . . A 7 DT H71 . 30198 1 40 . 1 . 1 7 7 DT H72 H 1 1.26667 . . . . . . . A 7 DT H72 . 30198 1 41 . 1 . 1 7 7 DT H73 H 1 1.26667 . . . . . . . A 7 DT H73 . 30198 1 42 . 1 . 1 8 8 DT H1' H 1 6.1025 . . . . . . . A 8 DT H1' . 30198 1 43 . 1 . 1 8 8 DT H2' H 1 2.10332 . . . . . . . A 8 DT H2' . 30198 1 44 . 1 . 1 8 8 DT H2'' H 1 2.59877 . . . . . . . A 8 DT H2'' . 30198 1 45 . 1 . 1 8 8 DT H3' H 1 4.89334 . . . . . . . A 8 DT H3' . 30198 1 46 . 1 . 1 8 8 DT H6 H 1 7.39713 . . . . . . . A 8 DT H6 . 30198 1 47 . 1 . 1 8 8 DT H71 H 1 1.52375 . . . . . . . A 8 DT H71 . 30198 1 48 . 1 . 1 8 8 DT H72 H 1 1.52375 . . . . . . . A 8 DT H72 . 30198 1 49 . 1 . 1 8 8 DT H73 H 1 1.52375 . . . . . . . A 8 DT H73 . 30198 1 50 . 1 . 1 9 9 5CM H1' H 1 5.65334 . . . . . . . A 9 5CM H1' . 30198 1 51 . 1 . 1 9 9 5CM H2' H 1 2.03405 . . . . . . . A 9 5CM H2' . 30198 1 52 . 1 . 1 9 9 5CM H2'' H 1 2.34513 . . . . . . . A 9 5CM H2'' . 30198 1 53 . 1 . 1 9 9 5CM H3' H 1 4.85602 . . . . . . . A 9 5CM H3' . 30198 1 54 . 1 . 1 9 9 5CM H5A1 H 1 1.72909 . . . . . . . A 9 5CM H5A1 . 30198 1 55 . 1 . 1 9 9 5CM H5A2 H 1 1.72909 . . . . . . . A 9 5CM H5A2 . 30198 1 56 . 1 . 1 9 9 5CM H5A3 H 1 1.72909 . . . . . . . A 9 5CM H5A3 . 30198 1 57 . 1 . 1 9 9 5CM H6 H 1 7.25068 . . . . . . . A 9 5CM H6 . 30198 1 58 . 1 . 1 10 10 DG H1' H 1 5.83349 . . . . . . . A 10 DG H1' . 30198 1 59 . 1 . 1 10 10 DG H2' H 1 2.65983 . . . . . . . A 10 DG H2' . 30198 1 60 . 1 . 1 10 10 DG H3' H 1 4.96905 . . . . . . . A 10 DG H3' . 30198 1 61 . 1 . 1 10 10 DG H8 H 1 7.85825 . . . . . . . A 10 DG H8 . 30198 1 62 . 1 . 1 11 11 DC H1' H 1 5.76798 . . . . . . . A 11 DC H1' . 30198 1 63 . 1 . 1 11 11 DC H2' H 1 1.88219 . . . . . . . A 11 DC H2' . 30198 1 64 . 1 . 1 11 11 DC H2'' H 1 2.33298 . . . . . . . A 11 DC H2'' . 30198 1 65 . 1 . 1 11 11 DC H3' H 1 4.79676 . . . . . . . A 11 DC H3' . 30198 1 66 . 1 . 1 11 11 DC H5 H 1 5.42977 . . . . . . . A 11 DC H5 . 30198 1 67 . 1 . 1 11 11 DC H6 H 1 7.31823 . . . . . . . A 11 DC H6 . 30198 1 68 . 1 . 1 12 12 DG H1' H 1 6.15658 . . . . . . . A 12 DG H1' . 30198 1 69 . 1 . 1 12 12 DG H2' H 1 2.60225 . . . . . . . A 12 DG H2' . 30198 1 70 . 1 . 1 12 12 DG H2'' H 1 2.36107 . . . . . . . A 12 DG H2'' . 30198 1 71 . 1 . 1 12 12 DG H3' H 1 4.66706 . . . . . . . A 12 DG H3' . 30198 1 72 . 1 . 1 12 12 DG H8 H 1 7.93653 . . . . . . . A 12 DG H8 . 30198 1 73 . 2 . 1 1 1 DC H1' H 1 5.76493 . . . . . . . B 13 DC H1' . 30198 1 74 . 2 . 1 1 1 DC H2' H 1 1.96953 . . . . . . . B 13 DC H2' . 30198 1 75 . 2 . 1 1 1 DC H2'' H 1 2.40736 . . . . . . . B 13 DC H2'' . 30198 1 76 . 2 . 1 1 1 DC H3' H 1 4.70072 . . . . . . . B 13 DC H3' . 30198 1 77 . 2 . 1 1 1 DC H5 H 1 5.92119 . . . . . . . B 13 DC H5 . 30198 1 78 . 2 . 1 1 1 DC H6 H 1 7.63251 . . . . . . . B 13 DC H6 . 30198 1 79 . 2 . 1 2 2 DG H1' H 1 5.88909 . . . . . . . B 14 DG H1' . 30198 1 80 . 2 . 1 2 2 DG H2' H 1 2.65046 . . . . . . . B 14 DG H2' . 30198 1 81 . 2 . 1 2 2 DG H2'' H 1 2.72252 . . . . . . . B 14 DG H2'' . 30198 1 82 . 2 . 1 2 2 DG H3' H 1 4.96684 . . . . . . . B 14 DG H3' . 30198 1 83 . 2 . 1 2 2 DG H8 H 1 7.96021 . . . . . . . B 14 DG H8 . 30198 1 84 . 2 . 1 3 3 DC H1' H 1 6.0166 . . . . . . . B 15 DC H1' . 30198 1 85 . 2 . 1 3 3 DC H2' H 1 1.84534 . . . . . . . B 15 DC H2' . 30198 1 86 . 2 . 1 3 3 DC H2'' H 1 2.595 . . . . . . . B 15 DC H2'' . 30198 1 87 . 2 . 1 3 3 DC H3' H 1 4.85751 . . . . . . . B 15 DC H3' . 30198 1 88 . 2 . 1 3 3 DC H5 H 1 5.39741 . . . . . . . B 15 DC H5 . 30198 1 89 . 2 . 1 3 3 DC H6 H 1 7.38215 . . . . . . . B 15 DC H6 . 30198 1 90 . 2 . 1 4 4 8OG H1' H 1 5.14408 . . . . . . . B 16 8OG H1' . 30198 1 91 . 2 . 1 4 4 8OG H2' H 1 3.34432 . . . . . . . B 16 8OG H2' . 30198 1 92 . 2 . 1 4 4 8OG H2'' H 1 2.38815 . . . . . . . B 16 8OG H2'' . 30198 1 93 . 2 . 1 4 4 8OG H3' H 1 4.85392 . . . . . . . B 16 8OG H3' . 30198 1 94 . 2 . 1 5 5 DA H1' H 1 5.99607 . . . . . . . B 17 DA H1' . 30198 1 95 . 2 . 1 5 5 DA H2 H 1 7.23198 . . . . . . . B 17 DA H2 . 30198 1 96 . 2 . 1 5 5 DA H2' H 1 2.7002 . . . . . . . B 17 DA H2' . 30198 1 97 . 2 . 1 5 5 DA H2'' H 1 2.92828 . . . . . . . B 17 DA H2'' . 30198 1 98 . 2 . 1 5 5 DA H3' H 1 5.06151 . . . . . . . B 17 DA H3' . 30198 1 99 . 2 . 1 5 5 DA H8 H 1 8.19956 . . . . . . . B 17 DA H8 . 30198 1 100 . 2 . 1 6 6 DA H1' H 1 6.16747 . . . . . . . B 18 DA H1' . 30198 1 101 . 2 . 1 6 6 DA H2 H 1 7.61197 . . . . . . . B 18 DA H2 . 30198 1 102 . 2 . 1 6 6 DA H2' H 1 2.56536 . . . . . . . B 18 DA H2' . 30198 1 103 . 2 . 1 6 6 DA H2'' H 1 2.93081 . . . . . . . B 18 DA H2'' . 30198 1 104 . 2 . 1 6 6 DA H3' H 1 5.00414 . . . . . . . B 18 DA H3' . 30198 1 105 . 2 . 1 6 6 DA H8 H 1 8.13321 . . . . . . . B 18 DA H8 . 30198 1 106 . 2 . 1 7 7 DT H1' H 1 5.92019 . . . . . . . B 19 DT H1' . 30198 1 107 . 2 . 1 7 7 DT H2' H 1 1.98018 . . . . . . . B 19 DT H2' . 30198 1 108 . 2 . 1 7 7 DT H2'' H 1 2.55576 . . . . . . . B 19 DT H2'' . 30198 1 109 . 2 . 1 7 7 DT H3' H 1 4.8352 . . . . . . . B 19 DT H3' . 30198 1 110 . 2 . 1 7 7 DT H6 H 1 7.10671 . . . . . . . B 19 DT H6 . 30198 1 111 . 2 . 1 7 7 DT H71 H 1 1.26667 . . . . . . . B 19 DT H71 . 30198 1 112 . 2 . 1 7 7 DT H72 H 1 1.26667 . . . . . . . B 19 DT H72 . 30198 1 113 . 2 . 1 7 7 DT H73 H 1 1.26667 . . . . . . . B 19 DT H73 . 30198 1 114 . 2 . 1 8 8 DT H1' H 1 6.1025 . . . . . . . B 20 DT H1' . 30198 1 115 . 2 . 1 8 8 DT H2' H 1 2.10332 . . . . . . . B 20 DT H2' . 30198 1 116 . 2 . 1 8 8 DT H2'' H 1 2.59877 . . . . . . . B 20 DT H2'' . 30198 1 117 . 2 . 1 8 8 DT H3' H 1 4.89334 . . . . . . . B 20 DT H3' . 30198 1 118 . 2 . 1 8 8 DT H6 H 1 7.39713 . . . . . . . B 20 DT H6 . 30198 1 119 . 2 . 1 8 8 DT H71 H 1 1.52375 . . . . . . . B 20 DT H71 . 30198 1 120 . 2 . 1 8 8 DT H72 H 1 1.52375 . . . . . . . B 20 DT H72 . 30198 1 121 . 2 . 1 8 8 DT H73 H 1 1.52375 . . . . . . . B 20 DT H73 . 30198 1 122 . 2 . 1 9 9 5CM H1' H 1 5.65334 . . . . . . . B 21 5CM H1' . 30198 1 123 . 2 . 1 9 9 5CM H2' H 1 2.03405 . . . . . . . B 21 5CM H2' . 30198 1 124 . 2 . 1 9 9 5CM H2'' H 1 2.34513 . . . . . . . B 21 5CM H2'' . 30198 1 125 . 2 . 1 9 9 5CM H3' H 1 4.85602 . . . . . . . B 21 5CM H3' . 30198 1 126 . 2 . 1 9 9 5CM H5A1 H 1 1.72909 . . . . . . . B 21 5CM H5A1 . 30198 1 127 . 2 . 1 9 9 5CM H5A2 H 1 1.72909 . . . . . . . B 21 5CM H5A2 . 30198 1 128 . 2 . 1 9 9 5CM H5A3 H 1 1.72909 . . . . . . . B 21 5CM H5A3 . 30198 1 129 . 2 . 1 9 9 5CM H6 H 1 7.25068 . . . . . . . B 21 5CM H6 . 30198 1 130 . 2 . 1 10 10 DG H1' H 1 5.83349 . . . . . . . B 22 DG H1' . 30198 1 131 . 2 . 1 10 10 DG H2' H 1 2.65983 . . . . . . . B 22 DG H2' . 30198 1 132 . 2 . 1 10 10 DG H3' H 1 4.96905 . . . . . . . B 22 DG H3' . 30198 1 133 . 2 . 1 10 10 DG H8 H 1 7.85825 . . . . . . . B 22 DG H8 . 30198 1 134 . 2 . 1 11 11 DC H1' H 1 5.76798 . . . . . . . B 23 DC H1' . 30198 1 135 . 2 . 1 11 11 DC H2' H 1 1.88219 . . . . . . . B 23 DC H2' . 30198 1 136 . 2 . 1 11 11 DC H2'' H 1 2.33298 . . . . . . . B 23 DC H2'' . 30198 1 137 . 2 . 1 11 11 DC H3' H 1 4.79676 . . . . . . . B 23 DC H3' . 30198 1 138 . 2 . 1 11 11 DC H5 H 1 5.42977 . . . . . . . B 23 DC H5 . 30198 1 139 . 2 . 1 11 11 DC H6 H 1 7.31823 . . . . . . . B 23 DC H6 . 30198 1 140 . 2 . 1 12 12 DG H1' H 1 6.15658 . . . . . . . B 24 DG H1' . 30198 1 141 . 2 . 1 12 12 DG H2' H 1 2.60225 . . . . . . . B 24 DG H2' . 30198 1 142 . 2 . 1 12 12 DG H2'' H 1 2.36107 . . . . . . . B 24 DG H2'' . 30198 1 143 . 2 . 1 12 12 DG H3' H 1 4.66706 . . . . . . . B 24 DG H3' . 30198 1 144 . 2 . 1 12 12 DG H8 H 1 7.93653 . . . . . . . B 24 DG H8 . 30198 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_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30198 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 30198 2 2 '2D 1H-1H NOESY' . . . 30198 2 3 '2D DQF-COSY' . . . 30198 2 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 2 2 DG H1 H 1 13.11577 0 . . . . . . A 2 DG H1 . 30198 2 2 . 1 . 1 3 3 DC H41 H 1 8.37884 0 . . . . . . A 3 DC H41 . 30198 2 3 . 1 . 1 3 3 DC H42 H 1 6.4348 0 . . . . . . A 3 DC H42 . 30198 2 4 . 1 . 1 4 4 8OG H1 H 1 12.96057 0 . . . . . . A 4 8OG H1 . 30198 2 5 . 1 . 1 5 5 DA H2 H 1 7.14443 0 . . . . . . A 5 DA H2 . 30198 2 6 . 1 . 1 6 6 DA H2 H 1 7.58476 0 . . . . . . A 6 DA H2 . 30198 2 7 . 1 . 1 7 7 DT H3 H 1 13.83849 0 . . . . . . A 7 DT H3 . 30198 2 8 . 1 . 1 8 8 DT H3 H 1 13.7995 0 . . . . . . A 8 DT H3 . 30198 2 9 . 1 . 1 9 9 5CM HN41 H 1 8.60389 0 . . . . . . A 9 5CM HN41 . 30198 2 10 . 1 . 1 9 9 5CM HN42 H 1 6.56331 0 . . . . . . A 9 5CM HN42 . 30198 2 11 . 1 . 1 10 10 DG H1 H 1 12.815 0 . . . . . . A 10 DG H1 . 30198 2 12 . 1 . 1 11 11 DC H41 H 1 8.48851 0 . . . . . . A 11 DC H41 . 30198 2 13 . 1 . 1 11 11 DC H42 H 1 6.69043 0 . . . . . . A 11 DC H42 . 30198 2 14 . 2 . 1 2 2 DG H1 H 1 13.11577 0 . . . . . . B 14 DG H1 . 30198 2 15 . 2 . 1 3 3 DC H41 H 1 8.37884 0 . . . . . . B 15 DC H41 . 30198 2 16 . 2 . 1 3 3 DC H42 H 1 6.4348 0 . . . . . . B 15 DC H42 . 30198 2 17 . 2 . 1 4 4 8OG H1 H 1 12.96057 0 . . . . . . B 16 8OG H1 . 30198 2 18 . 2 . 1 5 5 DA H2 H 1 7.14443 0 . . . . . . B 17 DA H2 . 30198 2 19 . 2 . 1 6 6 DA H2 H 1 7.58476 0 . . . . . . B 18 DA H2 . 30198 2 20 . 2 . 1 7 7 DT H3 H 1 13.83849 0 . . . . . . B 19 DT H3 . 30198 2 21 . 2 . 1 8 8 DT H3 H 1 13.7995 0 . . . . . . B 20 DT H3 . 30198 2 22 . 2 . 1 9 9 5CM HN41 H 1 8.60389 0 . . . . . . B 21 5CM HN41 . 30198 2 23 . 2 . 1 9 9 5CM HN42 H 1 6.56331 0 . . . . . . B 21 5CM HN42 . 30198 2 24 . 2 . 1 10 10 DG H1 H 1 12.815 0 . . . . . . B 22 DG H1 . 30198 2 25 . 2 . 1 11 11 DC H41 H 1 8.48851 0 . . . . . . B 23 DC H41 . 30198 2 26 . 2 . 1 11 11 DC H42 H 1 6.69043 0 . . . . . . B 23 DC H42 . 30198 2 stop_ save_