################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11607 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _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' 1 $ZfL2-1-34_D2O isotropic 11607 1 3 '2D 1H-13C HSQC' 1 $ZfL2-1-34_D2O isotropic 11607 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 G H1' H 1 5.85 0.01 . 1 . . . A 1 G H1' . 11607 1 2 . 1 1 1 1 G H2' H 1 4.98 0.01 . 1 . . . A 1 G H2' . 11607 1 3 . 1 1 1 1 G H8 H 1 8.19 0.01 . 1 . . . A 1 G H8 . 11607 1 4 . 1 1 1 1 G C8 C 13 136.42 0.16 . 1 . . . A 1 G C8 . 11607 1 5 . 1 1 2 2 G H1' H 1 5.96 0.01 . 1 . . . A 2 G H1' . 11607 1 6 . 1 1 2 2 G H8 H 1 7.68 0.01 . 1 . . . A 2 G H8 . 11607 1 7 . 1 1 2 2 G C8 C 13 133.95 0.16 . 1 . . . A 2 G C8 . 11607 1 8 . 1 1 3 3 C H1' H 1 5.59 0.01 . 1 . . . A 3 C H1' . 11607 1 9 . 1 1 3 3 C H5 H 1 5.28 0.01 . 1 . . . A 3 C H5 . 11607 1 10 . 1 1 3 3 C H6 H 1 7.70 0.01 . 1 . . . A 3 C H6 . 11607 1 11 . 1 1 4 4 G H1' H 1 5.76 0.01 . 1 . . . A 4 G H1' . 11607 1 12 . 1 1 4 4 G H8 H 1 7.58 0.01 . 1 . . . A 4 G H8 . 11607 1 13 . 1 1 4 4 G C8 C 13 133.17 0.16 . 1 . . . A 4 G C8 . 11607 1 14 . 1 1 5 5 C H1' H 1 5.52 0.01 . 1 . . . A 5 C H1' . 11607 1 15 . 1 1 5 5 C H5 H 1 5.25 0.01 . 1 . . . A 5 C H5 . 11607 1 16 . 1 1 5 5 C H6 H 1 7.72 0.01 . 1 . . . A 5 C H6 . 11607 1 17 . 1 1 6 6 U H1' H 1 5.54 0.01 . 1 . . . A 6 U H1' . 11607 1 18 . 1 1 6 6 U H5 H 1 5.44 0.01 . 1 . . . A 6 U H5 . 11607 1 19 . 1 1 6 6 U H6 H 1 7.90 0.01 . 1 . . . A 6 U H6 . 11607 1 20 . 1 1 6 6 U C5 C 13 100.51 0.16 . 1 . . . A 6 U C5 . 11607 1 21 . 1 1 7 7 U H1' H 1 5.64 0.01 . 1 . . . A 7 U H1' . 11607 1 22 . 1 1 7 7 U H5 H 1 5.59 0.01 . 1 . . . A 7 U H5 . 11607 1 23 . 1 1 7 7 U H6 H 1 8.02 0.01 . 1 . . . A 7 U H6 . 11607 1 24 . 1 1 8 8 U H1' H 1 5.62 0.01 . 1 . . . A 8 U H1' . 11607 1 25 . 1 1 8 8 U H5 H 1 5.54 0.01 . 1 . . . A 8 U H5 . 11607 1 26 . 1 1 8 8 U H6 H 1 7.83 0.01 . 1 . . . A 8 U H6 . 11607 1 27 . 1 1 9 9 G H1' H 1 5.43 0.01 . 1 . . . A 9 G H1' . 11607 1 28 . 1 1 9 9 G H8 H 1 7.68 0.01 . 1 . . . A 9 G H8 . 11607 1 29 . 1 1 9 9 G C8 C 13 135.12 0.16 . 1 . . . A 9 G C8 . 11607 1 30 . 1 1 10 10 A H2 H 1 7.49 0.01 . 1 . . . A 10 A H2 . 11607 1 31 . 1 1 10 10 A H8 H 1 7.77 0.01 . 1 . . . A 10 A H8 . 11607 1 32 . 1 1 10 10 A C2 C 13 151.61 0.16 . 1 . . . A 10 A C2 . 11607 1 33 . 1 1 10 10 A C8 C 13 137.44 0.16 . 1 . . . A 10 A C8 . 11607 1 34 . 1 1 11 11 C H1' H 1 6.05 0.01 . 1 . . . A 11 C H1' . 11607 1 35 . 1 1 11 11 C H5 H 1 5.81 0.01 . 1 . . . A 11 C H5 . 11607 1 36 . 1 1 11 11 C H6 H 1 7.82 0.01 . 1 . . . A 11 C H6 . 11607 1 37 . 1 1 12 12 A H1' H 1 5.90 0.01 . 1 . . . A 12 A H1' . 11607 1 38 . 1 1 12 12 A H2 H 1 7.33 0.01 . 1 . . . A 12 A H2 . 11607 1 39 . 1 1 12 12 A H8 H 1 8.39 0.01 . 1 . . . A 12 A H8 . 11607 1 40 . 1 1 12 12 A C2 C 13 150.45 0.16 . 1 . . . A 12 A C2 . 11607 1 41 . 1 1 12 12 A C8 C 13 138.05 0.16 . 1 . . . A 12 A C8 . 11607 1 42 . 1 1 13 13 C H1' H 1 5.41 0.01 . 1 . . . A 13 C H1' . 11607 1 43 . 1 1 13 13 C H5 H 1 5.23 0.01 . 1 . . . A 13 C H5 . 11607 1 44 . 1 1 13 13 C H6 H 1 7.58 0.01 . 1 . . . A 13 C H6 . 11607 1 45 . 1 1 14 14 A H1' H 1 5.87 0.01 . 1 . . . A 14 A H1' . 11607 1 46 . 1 1 14 14 A H2 H 1 6.75 0.01 . 1 . . . A 14 A H2 . 11607 1 47 . 1 1 14 14 A H8 H 1 7.95 0.01 . 1 . . . A 14 A H8 . 11607 1 48 . 1 1 14 14 A C2 C 13 149.33 0.16 . 1 . . . A 14 A C2 . 11607 1 49 . 1 1 14 14 A C8 C 13 136.71 0.16 . 1 . . . A 14 A C8 . 11607 1 50 . 1 1 15 15 A H1' H 1 5.91 0.01 . 1 . . . A 15 A H1' . 11607 1 51 . 1 1 15 15 A H2 H 1 7.79 0.01 . 1 . . . A 15 A H2 . 11607 1 52 . 1 1 15 15 A H8 H 1 7.76 0.01 . 1 . . . A 15 A H8 . 11607 1 53 . 1 1 15 15 A C2 C 13 151.16 0.16 . 1 . . . A 15 A C2 . 11607 1 54 . 1 1 15 15 A C8 C 13 136.25 0.16 . 1 . . . A 15 A C8 . 11607 1 55 . 1 1 16 16 U H1' H 1 5.56 0.01 . 1 . . . A 16 U H1' . 11607 1 56 . 1 1 16 16 U H5 H 1 5.03 0.01 . 1 . . . A 16 U H5 . 11607 1 57 . 1 1 16 16 U H6 H 1 7.34 0.01 . 1 . . . A 16 U H6 . 11607 1 58 . 1 1 17 17 C H1' H 1 5.69 0.01 . 1 . . . A 17 C H1' . 11607 1 59 . 1 1 17 17 C H2' H 1 4.24 0.01 . 1 . . . A 17 C H2' . 11607 1 60 . 1 1 17 17 C H3' H 1 4.48 0.01 . 1 . . . A 17 C H3' . 11607 1 61 . 1 1 17 17 C H5 H 1 5.91 0.01 . 1 . . . A 17 C H5 . 11607 1 62 . 1 1 17 17 C H6 H 1 7.76 0.01 . 1 . . . A 17 C H6 . 11607 1 63 . 1 1 17 17 C C6 C 13 140.09 0.16 . 1 . . . A 17 C C6 . 11607 1 64 . 1 1 18 18 U H1' H 1 5.65 0.01 . 1 . . . A 18 U H1' . 11607 1 65 . 1 1 18 18 U H5 H 1 5.77 0.01 . 1 . . . A 18 U H5 . 11607 1 66 . 1 1 18 18 U H6 H 1 7.66 0.01 . 1 . . . A 18 U H6 . 11607 1 67 . 1 1 18 18 U C5 C 13 102.59 0.16 . 1 . . . A 18 U C5 . 11607 1 68 . 1 1 18 18 U C6 C 13 140.58 0.16 . 1 . . . A 18 U C6 . 11607 1 69 . 1 1 19 19 A H1' H 1 5.63 0.01 . 1 . . . A 19 A H1' . 11607 1 70 . 1 1 19 19 A H2 H 1 7.95 0.01 . 1 . . . A 19 A H2 . 11607 1 71 . 1 1 19 19 A H8 H 1 8.00 0.01 . 1 . . . A 19 A H8 . 11607 1 72 . 1 1 19 19 A C2 C 13 152.19 0.16 . 1 . . . A 19 A C2 . 11607 1 73 . 1 1 19 19 A C8 C 13 138.52 0.16 . 1 . . . A 19 A C8 . 11607 1 74 . 1 1 20 20 C H1' H 1 5.94 0.01 . 1 . . . A 20 C H1' . 11607 1 75 . 1 1 20 20 C H5 H 1 5.88 0.01 . 1 . . . A 20 C H5 . 11607 1 76 . 1 1 20 20 C H6 H 1 7.81 0.01 . 1 . . . A 20 C H6 . 11607 1 77 . 1 1 21 21 A H1' H 1 5.79 0.01 . 1 . . . A 21 A H1' . 11607 1 78 . 1 1 21 21 A H2 H 1 7.87 0.01 . 1 . . . A 21 A H2 . 11607 1 79 . 1 1 21 21 A H8 H 1 8.30 0.01 . 1 . . . A 21 A H8 . 11607 1 80 . 1 1 21 21 A C2 C 13 151.11 0.16 . 1 . . . A 21 A C2 . 11607 1 81 . 1 1 21 21 A C8 C 13 138.08 0.16 . 1 . . . A 21 A C8 . 11607 1 82 . 1 1 22 22 U H1' H 1 5.59 0.01 . 1 . . . A 22 U H1' . 11607 1 83 . 1 1 22 22 U H5 H 1 5.13 0.01 . 1 . . . A 22 U H5 . 11607 1 84 . 1 1 22 22 U H6 H 1 7.68 0.01 . 1 . . . A 22 U H6 . 11607 1 85 . 1 1 23 23 U H1' H 1 5.69 0.01 . 1 . . . A 23 U H1' . 11607 1 86 . 1 1 23 23 U H5 H 1 5.57 0.01 . 1 . . . A 23 U H5 . 11607 1 87 . 1 1 23 23 U H6 H 1 7.96 0.01 . 1 . . . A 23 U H6 . 11607 1 88 . 1 1 24 24 G H1' H 1 5.76 0.01 . 1 . . . A 24 G H1' . 11607 1 89 . 1 1 24 24 G H8 H 1 7.72 0.01 . 1 . . . A 24 G H8 . 11607 1 90 . 1 1 24 24 G C8 C 13 133.54 0.16 . 1 . . . A 24 G C8 . 11607 1 91 . 1 1 25 25 U H1' H 1 5.57 0.01 . 1 . . . A 25 U H1' . 11607 1 92 . 1 1 25 25 U H5 H 1 5.07 0.01 . 1 . . . A 25 U H5 . 11607 1 93 . 1 1 25 25 U H6 H 1 7.56 0.01 . 1 . . . A 25 U H6 . 11607 1 94 . 1 1 26 26 A H1' H 1 5.81 0.01 . 1 . . . A 26 A H1' . 11607 1 95 . 1 1 26 26 A H2 H 1 7.32 0.01 . 1 . . . A 26 A H2 . 11607 1 96 . 1 1 26 26 A H2' H 1 4.56 0.01 . 1 . . . A 26 A H2' . 11607 1 97 . 1 1 26 26 A H3' H 1 4.72 0.01 . 1 . . . A 26 A H3' . 11607 1 98 . 1 1 26 26 A H8 H 1 8.08 0.01 . 1 . . . A 26 A H8 . 11607 1 99 . 1 1 26 26 A C2 C 13 151.59 0.16 . 1 . . . A 26 A C2 . 11607 1 100 . 1 1 26 26 A C8 C 13 138.07 0.16 . 1 . . . A 26 A C8 . 11607 1 101 . 1 1 27 27 A H1' H 1 5.61 0.01 . 1 . . . A 27 A H1' . 11607 1 102 . 1 1 27 27 A H2 H 1 6.95 0.01 . 1 . . . A 27 A H2 . 11607 1 103 . 1 1 27 27 A H8 H 1 8.21 0.01 . 1 . . . A 27 A H8 . 11607 1 104 . 1 1 27 27 A C2 C 13 149.82 0.16 . 1 . . . A 27 A C2 . 11607 1 105 . 1 1 28 28 A H1' H 1 5.83 0.01 . 1 . . . A 28 A H1' . 11607 1 106 . 1 1 28 28 A H2 H 1 7.11 0.01 . 1 . . . A 28 A H2 . 11607 1 107 . 1 1 28 28 A H8 H 1 7.83 0.01 . 1 . . . A 28 A H8 . 11607 1 108 . 1 1 28 28 A C2 C 13 149.89 0.16 . 1 . . . A 28 A C2 . 11607 1 109 . 1 1 28 28 A C8 C 13 136.99 0.16 . 1 . . . A 28 A C8 . 11607 1 110 . 1 1 29 29 A H1' H 1 5.85 0.01 . 1 . . . A 29 A H1' . 11607 1 111 . 1 1 29 29 A H2 H 1 7.40 0.01 . 1 . . . A 29 A H2 . 11607 1 112 . 1 1 29 29 A H8 H 1 7.71 0.01 . 1 . . . A 29 A H8 . 11607 1 113 . 1 1 29 29 A C2 C 13 150.32 0.16 . 1 . . . A 29 A C2 . 11607 1 114 . 1 1 29 29 A C8 C 13 136.04 0.16 . 1 . . . A 29 A C8 . 11607 1 115 . 1 1 30 30 G H1' H 1 5.56 0.01 . 1 . . . A 30 G H1' . 11607 1 116 . 1 1 30 30 G H8 H 1 7.15 0.01 . 1 . . . A 30 G H8 . 11607 1 117 . 1 1 30 30 G C8 C 13 132.63 0.16 . 1 . . . A 30 G C8 . 11607 1 118 . 1 1 31 31 C H1' H 1 5.50 0.01 . 1 . . . A 31 C H1' . 11607 1 119 . 1 1 31 31 C H5 H 1 5.17 0.01 . 1 . . . A 31 C H5 . 11607 1 120 . 1 1 31 31 C H6 H 1 7.54 0.01 . 1 . . . A 31 C H6 . 11607 1 121 . 1 1 31 31 C C5 C 13 94.68 0.16 . 1 . . . A 31 C C5 . 11607 1 122 . 1 1 31 31 C C6 C 13 137.35 0.16 . 1 . . . A 31 C C6 . 11607 1 123 . 1 1 32 32 G H8 H 1 7.60 0.01 . 1 . . . A 32 G H8 . 11607 1 124 . 1 1 32 32 G C8 C 13 133.65 0.16 . 1 . . . A 32 G C8 . 11607 1 125 . 1 1 33 33 C H1' H 1 5.55 0.01 . 1 . . . A 33 C H1' . 11607 1 126 . 1 1 33 33 C H5 H 1 5.24 0.01 . 1 . . . A 33 C H5 . 11607 1 127 . 1 1 33 33 C H6 H 1 7.73 0.01 . 1 . . . A 33 C H6 . 11607 1 128 . 1 1 34 34 C H5 H 1 5.55 0.01 . 1 . . . A 34 C H5 . 11607 1 129 . 1 1 34 34 C H6 H 1 7.70 0.01 . 1 . . . A 34 C H6 . 11607 1 130 . 1 1 34 34 C C5 C 13 95.33 0.16 . 1 . . . A 34 C C5 . 11607 1 stop_ save_