################################### # 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 30258 _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 $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 TOCSY' . . . 30258 1 2 '2D 1H-1H NOESY' . . . 30258 1 3 '2D 1H-1H NOESY' . . . 30258 1 4 '2D 1H-1H TOCSY' . . . 30258 1 5 '2D 1H-1H NOESY' . . . 30258 1 6 '2D 1H-15N HSQC' . . . 30258 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.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 G H1' H 1 5.83 . . . . . . . A 22 G H1' . 30258 1 2 . 1 1 1 1 G H3' H 1 4.73 . . . . . . . A 22 G H3' . 30258 1 3 . 1 1 1 1 G H4' H 1 4.51 . . . . . . . A 22 G H4' . 30258 1 4 . 1 1 1 1 G H5' H 1 4.46 . . . . . . . A 22 G H5' . 30258 1 5 . 1 1 1 1 G H5'' H 1 4.28 . . . . . . . A 22 G H5'' . 30258 1 6 . 1 1 1 1 G H8 H 1 8.17 . . . . . . . A 22 G H8 . 30258 1 7 . 1 1 1 1 G H2' H 1 4.95 . . . . . . . A 22 G H2' . 30258 1 8 . 1 1 2 2 G H1 H 1 13.39 . . . . . . . A 23 G H1 . 30258 1 9 . 1 1 2 2 G H1' H 1 5.9 . . . . . . . A 23 G H1' . 30258 1 10 . 1 1 2 2 G H3' H 1 4.58 . . . . . . . A 23 G H3' . 30258 1 11 . 1 1 2 2 G H4' H 1 4.53 . . . . . . . A 23 G H4' . 30258 1 12 . 1 1 2 2 G H5' H 1 4.52 . . . . . . . A 23 G H5' . 30258 1 13 . 1 1 2 2 G H5'' H 1 4.19 . . . . . . . A 23 G H5'' . 30258 1 14 . 1 1 2 2 G H8 H 1 7.6 . . . . . . . A 23 G H8 . 30258 1 15 . 1 1 2 2 G H21 H 1 6.33 . . . . . . . A 23 G H21 . 30258 1 16 . 1 1 2 2 G H2' H 1 4.49 . . . . . . . A 23 G H2' . 30258 1 17 . 1 1 3 3 U H1' H 1 5.57 . . . . . . . A 24 U H1' . 30258 1 18 . 1 1 3 3 U H3 H 1 13.76 . . . . . . . A 24 U H3 . 30258 1 19 . 1 1 3 3 U H3' H 1 4.56 . . . . . . . A 24 U H3' . 30258 1 20 . 1 1 3 3 U H4' H 1 4.47 . . . . . . . A 24 U H4' . 30258 1 21 . 1 1 3 3 U H5 H 1 5.08 . . . . . . . A 24 U H5 . 30258 1 22 . 1 1 3 3 U H5' H 1 4.57 . . . . . . . A 24 U H5' . 30258 1 23 . 1 1 3 3 U H5'' H 1 4.12 . . . . . . . A 24 U H5'' . 30258 1 24 . 1 1 3 3 U H6 H 1 7.64 . . . . . . . A 24 U H6 . 30258 1 25 . 1 1 3 3 U H2' H 1 4.69 . . . . . . . A 24 U H2' . 30258 1 26 . 1 1 4 4 G H1 H 1 12.61 . . . . . . . A 25 G H1 . 30258 1 27 . 1 1 4 4 G H1' H 1 5.74 . . . . . . . A 25 G H1' . 30258 1 28 . 1 1 4 4 G H3' H 1 4.5 . . . . . . . A 25 G H3' . 30258 1 29 . 1 1 4 4 G H4' H 1 4.49 . . . . . . . A 25 G H4' . 30258 1 30 . 1 1 4 4 G H5' H 1 4.47 . . . . . . . A 25 G H5' . 30258 1 31 . 1 1 4 4 G H5'' H 1 4.15 . . . . . . . A 25 G H5'' . 30258 1 32 . 1 1 4 4 G H8 H 1 7.64 . . . . . . . A 25 G H8 . 30258 1 33 . 1 1 4 4 G H21 H 1 6.51 . . . . . . . A 25 G H21 . 30258 1 34 . 1 1 4 4 G H2' H 1 4.46 . . . . . . . A 25 G H2' . 30258 1 35 . 1 1 5 5 U H1' H 1 5.45 . . . . . . . A 26 U H1' . 30258 1 36 . 1 1 5 5 U H3 H 1 14.3 . . . . . . . A 26 U H3 . 30258 1 37 . 1 1 5 5 U H3' H 1 4.45 . . . . . . . A 26 U H3' . 30258 1 38 . 1 1 5 5 U H4' H 1 4.42 . . . . . . . A 26 U H4' . 30258 1 39 . 1 1 5 5 U H5 H 1 5 . . . . . . . A 26 U H5 . 30258 1 40 . 1 1 5 5 U H5' H 1 4.58 . . . . . . . A 26 U H5' . 30258 1 41 . 1 1 5 5 U H5'' H 1 4.14 . . . . . . . A 26 U H5'' . 30258 1 42 . 1 1 5 5 U H6 H 1 7.62 . . . . . . . A 26 U H6 . 30258 1 43 . 1 1 5 5 U H2' H 1 4.43 . . . . . . . A 26 U H2' . 30258 1 44 . 1 1 6 6 U H1' H 1 5.6 . . . . . . . A 27 U H1' . 30258 1 45 . 1 1 6 6 U H3 H 1 13.12 . . . . . . . A 27 U H3 . 30258 1 46 . 1 1 6 6 U H3' H 1 4.7 . . . . . . . A 27 U H3' . 30258 1 47 . 1 1 6 6 U H4' H 1 4.56 . . . . . . . A 27 U H4' . 30258 1 48 . 1 1 6 6 U H5 H 1 5.4 . . . . . . . A 27 U H5 . 30258 1 49 . 1 1 6 6 U H5'' H 1 4.15 . . . . . . . A 27 U H5'' . 30258 1 50 . 1 1 6 6 U H6 H 1 7.7 . . . . . . . A 27 U H6 . 30258 1 51 . 1 1 6 6 U H2' H 1 4.52 . . . . . . . A 27 U H2' . 30258 1 52 . 1 1 7 7 G H1 H 1 11.77 . . . . . . . A 28 G H1 . 30258 1 53 . 1 1 7 7 G H1' H 1 5.68 . . . . . . . A 28 G H1' . 30258 1 54 . 1 1 7 7 G H8 H 1 7.7 . . . . . . . A 28 G H8 . 30258 1 55 . 1 1 7 7 G H21 H 1 7.22 . . . . . . . A 28 G H21 . 30258 1 56 . 1 1 7 7 G H22 H 1 5.96 . . . . . . . A 28 G H22 . 30258 1 57 . 1 1 7 7 G H2' H 1 4.41 . . . . . . . A 28 G H2' . 30258 1 58 . 1 1 8 8 A H1' H 1 5.94 . . . . . . . A 29 A H1' . 30258 1 59 . 1 1 8 8 A H8 H 1 8.13 . . . . . . . A 29 A H8 . 30258 1 60 . 1 1 8 8 A H2' H 1 4.6 . . . . . . . A 29 A H2' . 30258 1 61 . 1 1 9 9 C H5 H 1 5.29 . . . . . . . A 30 C H5 . 30258 1 62 . 1 1 9 9 C H6 H 1 7.3 . . . . . . . A 30 C H6 . 30258 1 63 . 1 1 10 10 U H1' H 1 5.376 . . . . . . . A 31 U H1' . 30258 1 64 . 1 1 10 10 U H5 H 1 5.49 . . . . . . . A 31 U H5 . 30258 1 65 . 1 1 10 10 U H6 H 1 7.65 . . . . . . . A 31 U H6 . 30258 1 66 . 1 1 10 10 U H2' H 1 4.41 . . . . . . . A 31 U H2' . 30258 1 67 . 1 1 11 11 G H4' H 1 4.28 . . . . . . . A 32 G H4' . 30258 1 68 . 1 1 11 11 G H8 H 1 7.74 . . . . . . . A 32 G H8 . 30258 1 69 . 1 1 11 11 G H2' H 1 4.54 . . . . . . . A 32 G H2' . 30258 1 70 . 1 1 12 12 U H1' H 1 5.65 . . . . . . . A 33 U H1' . 30258 1 71 . 1 1 12 12 U H5 H 1 5.65 . . . . . . . A 33 U H5 . 30258 1 72 . 1 1 12 12 U H6 H 1 7.65 . . . . . . . A 33 U H6 . 30258 1 73 . 1 1 12 12 U H2' H 1 4.26 . . . . . . . A 33 U H2' . 30258 1 74 . 1 1 13 13 U H1' H 1 5.64 . . . . . . . A 34 U H1' . 30258 1 75 . 1 1 13 13 U H4' H 1 4.31 . . . . . . . A 34 U H4' . 30258 1 76 . 1 1 13 13 U H5 H 1 5.46 . . . . . . . A 34 U H5 . 30258 1 77 . 1 1 13 13 U H6 H 1 7.6 . . . . . . . A 34 U H6 . 30258 1 78 . 1 1 13 13 U H2' H 1 4.505 . . . . . . . A 34 U H2' . 30258 1 79 . 1 1 14 14 G H1' H 1 5.63 . . . . . . . A 35 G H1' . 30258 1 80 . 1 1 14 14 G H4' H 1 4.36 . . . . . . . A 35 G H4' . 30258 1 81 . 1 1 14 14 G H8 H 1 7.82 . . . . . . . A 35 G H8 . 30258 1 82 . 1 1 14 14 G H2' H 1 4.66 . . . . . . . A 35 G H2' . 30258 1 83 . 1 1 15 15 A H1' H 1 5.83 . . . . . . . A 36 A H1' . 30258 1 84 . 1 1 15 15 A H4' H 1 4.47 . . . . . . . A 36 A H4' . 30258 1 85 . 1 1 15 15 A H8 H 1 8.14 . . . . . . . A 36 A H8 . 30258 1 86 . 1 1 15 15 A H2' H 1 4.64 . . . . . . . A 36 A H2' . 30258 1 87 . 1 1 16 16 A H1' H 1 5.65 . . . . . . . A 37 A H1' . 30258 1 88 . 1 1 16 16 A H8 H 1 7.82 . . . . . . . A 37 A H8 . 30258 1 89 . 1 1 16 16 A H2' H 1 4.29 . . . . . . . A 37 A H2' . 30258 1 90 . 1 1 17 17 U H1' H 1 5.77 . . . . . . . A 38 U H1' . 30258 1 91 . 1 1 17 17 U H4' H 1 4.39 . . . . . . . A 38 U H4' . 30258 1 92 . 1 1 17 17 U H5 H 1 5.63 . . . . . . . A 38 U H5 . 30258 1 93 . 1 1 17 17 U H6 H 1 7.69 . . . . . . . A 38 U H6 . 30258 1 94 . 1 1 17 17 U H2' H 1 4.55 . . . . . . . A 38 U H2' . 30258 1 95 . 1 1 18 18 C H1' H 1 5.84 . . . . . . . A 39 C H1' . 30258 1 96 . 1 1 18 18 C H5 H 1 5.78 . . . . . . . A 39 C H5 . 30258 1 97 . 1 1 18 18 C H6 H 1 7.79 . . . . . . . A 39 C H6 . 30258 1 98 . 1 1 18 18 C H2' H 1 4.34 . . . . . . . A 39 C H2' . 30258 1 99 . 1 1 19 19 U H1' H 1 5.78 . . . . . . . A 40 U H1' . 30258 1 100 . 1 1 19 19 U H3' H 1 4.51 . . . . . . . A 40 U H3' . 30258 1 101 . 1 1 19 19 U H5 H 1 5.79 . . . . . . . A 40 U H5 . 30258 1 102 . 1 1 19 19 U H6 H 1 7.73 . . . . . . . A 40 U H6 . 30258 1 103 . 1 1 19 19 U H2' H 1 4.4 . . . . . . . A 40 U H2' . 30258 1 104 . 1 1 20 20 C H1' H 1 5.69 . . . . . . . A 41 C H1' . 30258 1 105 . 1 1 20 20 C H4' H 1 4.41 . . . . . . . A 41 C H4' . 30258 1 106 . 1 1 20 20 C H5 H 1 5.89 . . . . . . . A 41 C H5 . 30258 1 107 . 1 1 20 20 C H6 H 1 7.73 . . . . . . . A 41 C H6 . 30258 1 108 . 1 1 20 20 C H2' H 1 4.67 . . . . . . . A 41 C H2' . 30258 1 109 . 1 1 21 21 A H1' H 1 5.92 . . . . . . . A 42 A H1' . 30258 1 110 . 1 1 21 21 A H8 H 1 8.07 . . . . . . . A 42 A H8 . 30258 1 111 . 1 1 22 22 U H5 H 1 5.38 . . . . . . . A 43 U H5 . 30258 1 112 . 1 1 22 22 U H6 H 1 7.54 . . . . . . . A 43 U H6 . 30258 1 113 . 1 1 23 23 G H8 H 1 7.74 . . . . . . . A 44 G H8 . 30258 1 114 . 1 1 23 23 G H2' H 1 4.67 . . . . . . . A 44 G H2' . 30258 1 115 . 1 1 24 24 G H1' H 1 5.8 . . . . . . . A 45 G H1' . 30258 1 116 . 1 1 24 24 G H8 H 1 7.87 . . . . . . . A 45 G H8 . 30258 1 117 . 1 1 24 24 G H2' H 1 4.53 . . . . . . . A 45 G H2' . 30258 1 118 . 1 1 25 25 C H5 H 1 5.3 . . . . . . . A 46 C H5 . 30258 1 119 . 1 1 25 25 C H6 H 1 7.52 . . . . . . . A 46 C H6 . 30258 1 120 . 1 1 26 26 A H1' H 1 5.76 . . . . . . . A 47 A H1' . 30258 1 121 . 1 1 26 26 A H2 H 1 6.51 . . . . . . . A 47 A H2 . 30258 1 122 . 1 1 26 26 A H3' H 1 4.75 . . . . . . . A 47 A H3' . 30258 1 123 . 1 1 26 26 A H8 H 1 7.98 . . . . . . . A 47 A H8 . 30258 1 124 . 1 1 26 26 A H2' H 1 4.47 . . . . . . . A 47 A H2' . 30258 1 125 . 1 1 27 27 A H1' H 1 5.84 . . . . . . . A 48 A H1' . 30258 1 126 . 1 1 27 27 A H2 H 1 7.54 . . . . . . . A 48 A H2 . 30258 1 127 . 1 1 27 27 A H3' H 1 4.63 . . . . . . . A 48 A H3' . 30258 1 128 . 1 1 27 27 A H4' H 1 4.46 . . . . . . . A 48 A H4' . 30258 1 129 . 1 1 27 27 A H5' H 1 4.58 . . . . . . . A 48 A H5' . 30258 1 130 . 1 1 27 27 A H5'' H 1 4.12 . . . . . . . A 48 A H5'' . 30258 1 131 . 1 1 27 27 A H8 H 1 7.87 . . . . . . . A 48 A H8 . 30258 1 132 . 1 1 27 27 A H2' H 1 4.32 . . . . . . . A 48 A H2' . 30258 1 133 . 1 1 28 28 C H1' H 1 5.28 . . . . . . . A 49 C H1' . 30258 1 134 . 1 1 28 28 C H3' H 1 4.44 . . . . . . . A 49 C H3' . 30258 1 135 . 1 1 28 28 C H4' H 1 4.36 . . . . . . . A 49 C H4' . 30258 1 136 . 1 1 28 28 C H5 H 1 5.1 . . . . . . . A 49 C H5 . 30258 1 137 . 1 1 28 28 C H5' H 1 4.47 . . . . . . . A 49 C H5' . 30258 1 138 . 1 1 28 28 C H5'' H 1 4.04 . . . . . . . A 49 C H5'' . 30258 1 139 . 1 1 28 28 C H6 H 1 7.39 . . . . . . . A 49 C H6 . 30258 1 140 . 1 1 28 28 C H2' H 1 4.19 . . . . . . . A 49 C H2' . 30258 1 141 . 1 1 29 29 A H1' H 1 5.88 . . . . . . . A 50 A H1' . 30258 1 142 . 1 1 29 29 A H2 H 1 7.38 . . . . . . . A 50 A H2 . 30258 1 143 . 1 1 29 29 A H3' H 1 4.64 . . . . . . . A 50 A H3' . 30258 1 144 . 1 1 29 29 A H4' H 1 4.44 . . . . . . . A 50 A H4' . 30258 1 145 . 1 1 29 29 A H8 H 1 7.99 . . . . . . . A 50 A H8 . 30258 1 146 . 1 1 29 29 A H2' H 1 4.49 . . . . . . . A 50 A H2' . 30258 1 147 . 1 1 30 30 C H1' H 1 5.39 . . . . . . . A 51 C H1' . 30258 1 148 . 1 1 30 30 C H3' H 1 4.35 . . . . . . . A 51 C H3' . 30258 1 149 . 1 1 30 30 C H4' H 1 4.36 . . . . . . . A 51 C H4' . 30258 1 150 . 1 1 30 30 C H5 H 1 5.12 . . . . . . . A 51 C H5 . 30258 1 151 . 1 1 30 30 C H5' H 1 4.48 . . . . . . . A 51 C H5' . 30258 1 152 . 1 1 30 30 C H5'' H 1 4.03 . . . . . . . A 51 C H5'' . 30258 1 153 . 1 1 30 30 C H6 H 1 7.48 . . . . . . . A 51 C H6 . 30258 1 154 . 1 1 30 30 C H2' H 1 4.1 . . . . . . . A 51 C H2' . 30258 1 155 . 1 1 31 31 C H1' H 1 5.73 . . . . . . . A 52 C H1' . 30258 1 156 . 1 1 31 31 C H3' H 1 4.13 . . . . . . . A 52 C H3' . 30258 1 157 . 1 1 31 31 C H4' H 1 4.13 . . . . . . . A 52 C H4' . 30258 1 158 . 1 1 31 31 C H5 H 1 5.4 . . . . . . . A 52 C H5 . 30258 1 159 . 1 1 31 31 C H5' H 1 4.44 . . . . . . . A 52 C H5' . 30258 1 160 . 1 1 31 31 C H5'' H 1 4.01 . . . . . . . A 52 C H5'' . 30258 1 161 . 1 1 31 31 C H6 H 1 7.61 . . . . . . . A 52 C H6 . 30258 1 162 . 1 1 31 31 C H2' H 1 3.97 . . . . . . . A 52 C H2' . 30258 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 30258 _Assigned_chem_shift_list.ID 2 _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 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 TOCSY' . . . 30258 2 2 '2D 1H-1H NOESY' . . . 30258 2 3 '2D 1H-1H NOESY' . . . 30258 2 4 '2D 1H-1H TOCSY' . . . 30258 2 5 '2D 1H-1H NOESY' . . . 30258 2 6 '2D 1H-15N HSQC' . . . 30258 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.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 . 2 2 1 1 ARG H H 1 7.683 . . . . . . . B 1 ARG H1 . 30258 2 2 . 2 2 1 1 ARG HA H 1 4.503 . . . . . . . B 1 ARG HA . 30258 2 3 . 2 2 1 1 ARG HB3 H 1 1.809 . . . . . . . B 1 ARG HB3 . 30258 2 4 . 2 2 1 1 ARG HG2 H 1 1.552 . . . . . . . B 1 ARG HG2 . 30258 2 5 . 2 2 1 1 ARG HG3 H 1 1.608 . . . . . . . B 1 ARG HG3 . 30258 2 6 . 2 2 1 1 ARG HD3 H 1 3.182 . . . . . . . B 1 ARG HD3 . 30258 2 7 . 2 2 1 1 ARG N N 15 120.419 . . . . . . . B 1 ARG N . 30258 2 8 . 2 2 2 2 VAL H H 1 8.443 . . . . . . . B 2 VAL H . 30258 2 9 . 2 2 2 2 VAL HA H 1 4.596 . . . . . . . B 2 VAL HA . 30258 2 10 . 2 2 2 2 VAL HB H 1 1.873 . . . . . . . B 2 VAL HB . 30258 2 11 . 2 2 2 2 VAL HG11 H 1 0.760 . . . . . . . B 2 VAL HG11 . 30258 2 12 . 2 2 2 2 VAL HG12 H 1 0.760 . . . . . . . B 2 VAL HG12 . 30258 2 13 . 2 2 2 2 VAL HG13 H 1 0.760 . . . . . . . B 2 VAL HG13 . 30258 2 14 . 2 2 2 2 VAL HG21 H 1 0.811 . . . . . . . B 2 VAL HG21 . 30258 2 15 . 2 2 2 2 VAL HG22 H 1 0.811 . . . . . . . B 2 VAL HG22 . 30258 2 16 . 2 2 2 2 VAL HG23 H 1 0.811 . . . . . . . B 2 VAL HG23 . 30258 2 17 . 2 2 2 2 VAL N N 15 122.897 . . . . . . . B 2 VAL N . 30258 2 18 . 2 2 3 3 ARG H H 1 8.782 . . . . . . . B 3 ARG H . 30258 2 19 . 2 2 3 3 ARG HA H 1 4.683 . . . . . . . B 3 ARG HA . 30258 2 20 . 2 2 3 3 ARG HB3 H 1 1.810 . . . . . . . B 3 ARG HB3 . 30258 2 21 . 2 2 3 3 ARG HG2 H 1 1.466 . . . . . . . B 3 ARG HG2 . 30258 2 22 . 2 2 3 3 ARG HG3 H 1 1.557 . . . . . . . B 3 ARG HG3 . 30258 2 23 . 2 2 3 3 ARG HD3 H 1 3.140 . . . . . . . B 3 ARG HD3 . 30258 2 24 . 2 2 3 3 ARG N N 15 126.728 . . . . . . . B 3 ARG N . 30258 2 25 . 2 2 4 4 THR H H 1 8.623 . . . . . . . B 4 THR H . 30258 2 26 . 2 2 4 4 THR HA H 1 4.835 . . . . . . . B 4 THR HA . 30258 2 27 . 2 2 4 4 THR HB H 1 4.020 . . . . . . . B 4 THR HB . 30258 2 28 . 2 2 4 4 THR HG21 H 1 1.054 . . . . . . . B 4 THR HG21 . 30258 2 29 . 2 2 4 4 THR HG22 H 1 1.054 . . . . . . . B 4 THR HG22 . 30258 2 30 . 2 2 4 4 THR HG23 H 1 1.054 . . . . . . . B 4 THR HG23 . 30258 2 31 . 2 2 4 4 THR N N 15 117.734 . . . . . . . B 4 THR N . 30258 2 32 . 2 2 5 5 ARG H H 1 8.783 . . . . . . . B 5 ARG H . 30258 2 33 . 2 2 5 5 ARG HA H 1 4.772 . . . . . . . B 5 ARG HA . 30258 2 34 . 2 2 5 5 ARG HB3 H 1 1.684 . . . . . . . B 5 ARG HB3 . 30258 2 35 . 2 2 5 5 ARG HG2 H 1 1.562 . . . . . . . B 5 ARG HG2 . 30258 2 36 . 2 2 5 5 ARG HG3 H 1 1.468 . . . . . . . B 5 ARG HG3 . 30258 2 37 . 2 2 5 5 ARG HD3 H 1 3.129 . . . . . . . B 5 ARG HD3 . 30258 2 38 . 2 2 5 5 ARG N N 15 127.075 . . . . . . . B 5 ARG N . 30258 2 39 . 2 2 6 6 GLY H H 1 9.054 . . . . . . . B 6 GLY H . 30258 2 40 . 2 2 6 6 GLY HA2 H 1 3.697 . . . . . . . B 6 GLY HA2 . 30258 2 41 . 2 2 6 6 GLY HA3 H 1 3.980 . . . . . . . B 6 GLY HA3 . 30258 2 42 . 2 2 6 6 GLY N N 15 116.990 . . . . . . . B 6 GLY N . 30258 2 43 . 2 2 7 7 LYS H H 1 8.835 . . . . . . . B 7 LYS H . 30258 2 44 . 2 2 7 7 LYS HA H 1 4.197 . . . . . . . B 7 LYS HA . 30258 2 45 . 2 2 7 7 LYS HB3 H 1 1.967 . . . . . . . B 7 LYS HB3 . 30258 2 46 . 2 2 7 7 LYS HG3 H 1 1.420 . . . . . . . B 7 LYS HG3 . 30258 2 47 . 2 2 7 7 LYS HD2 H 1 1.645 . . . . . . . B 7 LYS HD2 . 30258 2 48 . 2 2 7 7 LYS HD3 H 1 1.736 . . . . . . . B 7 LYS HD3 . 30258 2 49 . 2 2 7 7 LYS HE3 H 1 2.951 . . . . . . . B 7 LYS HE3 . 30258 2 50 . 2 2 7 7 LYS N N 15 123.743 . . . . . . . B 7 LYS N . 30258 2 51 . 2 2 8 8 ARG H H 1 7.941 . . . . . . . B 8 ARG H . 30258 2 52 . 2 2 8 8 ARG HA H 1 4.431 . . . . . . . B 8 ARG HA . 30258 2 53 . 2 2 8 8 ARG HB3 H 1 1.830 . . . . . . . B 8 ARG HB3 . 30258 2 54 . 2 2 8 8 ARG HG2 H 1 1.556 . . . . . . . B 8 ARG HG2 . 30258 2 55 . 2 2 8 8 ARG HG3 H 1 1.657 . . . . . . . B 8 ARG HG3 . 30258 2 56 . 2 2 8 8 ARG HD3 H 1 3.180 . . . . . . . B 8 ARG HD3 . 30258 2 57 . 2 2 8 8 ARG N N 15 120.122 . . . . . . . B 8 ARG N . 30258 2 58 . 2 2 9 9 ARG H H 1 8.521 . . . . . . . B 9 ARG H . 30258 2 59 . 2 2 9 9 ARG HA H 1 4.678 . . . . . . . B 9 ARG HA . 30258 2 60 . 2 2 9 9 ARG HB3 H 1 1.672 . . . . . . . B 9 ARG HB3 . 30258 2 61 . 2 2 9 9 ARG HG2 H 1 1.434 . . . . . . . B 9 ARG HG2 . 30258 2 62 . 2 2 9 9 ARG HG3 H 1 1.547 . . . . . . . B 9 ARG HG3 . 30258 2 63 . 2 2 9 9 ARG HD3 H 1 3.078 . . . . . . . B 9 ARG HD3 . 30258 2 64 . 2 2 9 9 ARG N N 15 123.632 . . . . . . . B 9 ARG N . 30258 2 65 . 2 2 10 10 ILE H H 1 8.842 . . . . . . . B 10 ILE H . 30258 2 66 . 2 2 10 10 ILE HA H 1 4.301 . . . . . . . B 10 ILE HA . 30258 2 67 . 2 2 10 10 ILE HB H 1 1.743 . . . . . . . B 10 ILE HB . 30258 2 68 . 2 2 10 10 ILE HG12 H 1 1.338 . . . . . . . B 10 ILE HG12 . 30258 2 69 . 2 2 10 10 ILE HG13 H 1 1.057 . . . . . . . B 10 ILE HG13 . 30258 2 70 . 2 2 10 10 ILE HG21 H 1 0.814 . . . . . . . B 10 ILE HG21 . 30258 2 71 . 2 2 10 10 ILE HG22 H 1 0.814 . . . . . . . B 10 ILE HG22 . 30258 2 72 . 2 2 10 10 ILE HG23 H 1 0.814 . . . . . . . B 10 ILE HG23 . 30258 2 73 . 2 2 10 10 ILE HD11 H 1 0.749 . . . . . . . B 10 ILE HD11 . 30258 2 74 . 2 2 10 10 ILE HD12 H 1 0.749 . . . . . . . B 10 ILE HD12 . 30258 2 75 . 2 2 10 10 ILE HD13 H 1 0.749 . . . . . . . B 10 ILE HD13 . 30258 2 76 . 2 2 10 10 ILE N N 15 124.586 . . . . . . . B 10 ILE N . 30258 2 77 . 2 2 11 11 ARG H H 1 8.620 . . . . . . . B 11 ARG H . 30258 2 78 . 2 2 11 11 ARG HA H 1 4.470 . . . . . . . B 11 ARG HA . 30258 2 79 . 2 2 11 11 ARG HB3 H 1 1.740 . . . . . . . B 11 ARG HB3 . 30258 2 80 . 2 2 11 11 ARG HG2 H 1 1.466 . . . . . . . B 11 ARG HG2 . 30258 2 81 . 2 2 11 11 ARG HG3 H 1 1.587 . . . . . . . B 11 ARG HG3 . 30258 2 82 . 2 2 11 11 ARG HD3 H 1 3.139 . . . . . . . B 11 ARG HD3 . 30258 2 83 . 2 2 11 11 ARG N N 15 126.902 . . . . . . . B 11 ARG N . 30258 2 84 . 2 2 12 12 ARG H H 1 8.642 . . . . . . . B 12 ARG H . 30258 2 85 . 2 2 12 12 ARG HA H 1 4.825 . . . . . . . B 12 ARG HA . 30258 2 86 . 2 2 12 12 ARG HB3 H 1 1.759 . . . . . . . B 12 ARG HB3 . 30258 2 87 . 2 2 12 12 ARG HG2 H 1 1.466 . . . . . . . B 12 ARG HG2 . 30258 2 88 . 2 2 12 12 ARG HG3 H 1 1.576 . . . . . . . B 12 ARG HG3 . 30258 2 89 . 2 2 12 12 ARG HD3 H 1 3.146 . . . . . . . B 12 ARG HD3 . 30258 2 90 . 2 2 12 12 ARG N N 15 126.407 . . . . . . . B 12 ARG N . 30258 2 91 . 2 2 14 14 PRO HA H 1 3.930 . . . . . . . B 14 PRO HA . 30258 2 92 . 2 2 14 14 PRO HB3 H 1 2.051 . . . . . . . B 14 PRO HB3 . 30258 2 93 . 2 2 14 14 PRO HG3 H 1 2.227 . . . . . . . B 14 PRO HG3 . 30258 2 94 . 2 2 14 14 PRO HD3 H 1 3.701 . . . . . . . B 14 PRO HD3 . 30258 2 95 . 2 2 14 14 PRO N N 15 120.419 . . . . . . . B 14 PRO N . 30258 2 stop_ save_