################################### # 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4338 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_four _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 ; The residue 37 and 81 were superposed at 308K. Consequently they were assigned at 291K by comparison with the lipoylated form Hox (BMRB accession number 4337) As they were not assigned unambigously, they were given an ambiguity code of 5. ; _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_one . 4338 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 2 2 ASN H H 1 10.51 0.02 . 1 . . . . . . . . 4338 1 2 . 1 1 2 2 ASN N N 15 121.3 0.2 . 1 . . . . . . . . 4338 1 3 . 1 1 3 3 VAL H H 1 9.12 0.02 . 1 . . . . . . . . 4338 1 4 . 1 1 3 3 VAL N N 15 128.8 0.2 . 1 . . . . . . . . 4338 1 5 . 1 1 4 4 LEU H H 1 6.61 0.02 . 1 . . . . . . . . 4338 1 6 . 1 1 4 4 LEU N N 15 124.6 0.2 . 1 . . . . . . . . 4338 1 7 . 1 1 5 5 ASP H H 1 8.92 0.02 . 1 . . . . . . . . 4338 1 8 . 1 1 5 5 ASP N N 15 124.2 0.2 . 1 . . . . . . . . 4338 1 9 . 1 1 6 6 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4338 1 10 . 1 1 6 6 GLY N N 15 108.3 0.2 . 1 . . . . . . . . 4338 1 11 . 1 1 7 7 LEU H H 1 6.57 0.02 . 1 . . . . . . . . 4338 1 12 . 1 1 7 7 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4338 1 13 . 1 1 8 8 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 4338 1 14 . 1 1 8 8 LYS N N 15 115.4 0.2 . 1 . . . . . . . . 4338 1 15 . 1 1 9 9 TYR H H 1 9.31 0.02 . 1 . . . . . . . . 4338 1 16 . 1 1 9 9 TYR N N 15 116.5 0.2 . 1 . . . . . . . . 4338 1 17 . 1 1 10 10 ALA H H 1 8.92 0.02 . 1 . . . . . . . . 4338 1 18 . 1 1 10 10 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 4338 1 19 . 1 1 12 12 SER H H 1 6.74 0.02 . 1 . . . . . . . . 4338 1 20 . 1 1 12 12 SER N N 15 103.3 0.2 . 1 . . . . . . . . 4338 1 21 . 1 1 13 13 HIS H H 1 8.16 0.02 . 1 . . . . . . . . 4338 1 22 . 1 1 13 13 HIS N N 15 109.5 0.2 . 1 . . . . . . . . 4338 1 23 . 1 1 14 14 GLU H H 1 7.22 0.02 . 1 . . . . . . . . 4338 1 24 . 1 1 14 14 GLU N N 15 116.7 0.2 . 1 . . . . . . . . 4338 1 25 . 1 1 15 15 TRP H H 1 8.42 0.02 . 1 . . . . . . . . 4338 1 26 . 1 1 15 15 TRP N N 15 116.1 0.2 . 1 . . . . . . . . 4338 1 27 . 1 1 16 16 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 4338 1 28 . 1 1 16 16 VAL N N 15 113.7 0.2 . 1 . . . . . . . . 4338 1 29 . 1 1 17 17 LYS H H 1 9.59 0.02 . 1 . . . . . . . . 4338 1 30 . 1 1 17 17 LYS N N 15 129.7 0.2 . 1 . . . . . . . . 4338 1 31 . 1 1 18 18 HIS H H 1 9.46 0.02 . 1 . . . . . . . . 4338 1 32 . 1 1 18 18 HIS N N 15 129.2 0.2 . 1 . . . . . . . . 4338 1 33 . 1 1 19 19 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 4338 1 34 . 1 1 19 19 GLU N N 15 128.0 0.2 . 1 . . . . . . . . 4338 1 35 . 1 1 20 20 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 4338 1 36 . 1 1 20 20 GLY N N 15 113.1 0.2 . 1 . . . . . . . . 4338 1 37 . 1 1 21 21 SER H H 1 8.64 0.02 . 1 . . . . . . . . 4338 1 38 . 1 1 21 21 SER N N 15 120.2 0.2 . 1 . . . . . . . . 4338 1 39 . 1 1 22 22 VAL H H 1 7.44 0.02 . 1 . . . . . . . . 4338 1 40 . 1 1 22 22 VAL N N 15 117.6 0.2 . 1 . . . . . . . . 4338 1 41 . 1 1 23 23 ALA H H 1 9.16 0.02 . 1 . . . . . . . . 4338 1 42 . 1 1 23 23 ALA N N 15 127.1 0.2 . 1 . . . . . . . . 4338 1 43 . 1 1 24 24 THR H H 1 8.77 0.02 . 1 . . . . . . . . 4338 1 44 . 1 1 24 24 THR N N 15 120.8 0.2 . 1 . . . . . . . . 4338 1 45 . 1 1 25 25 ILE H H 1 8.72 0.02 . 1 . . . . . . . . 4338 1 46 . 1 1 25 25 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 4338 1 47 . 1 1 26 26 GLY H H 1 6.03 0.02 . 1 . . . . . . . . 4338 1 48 . 1 1 26 26 GLY N N 15 113.7 0.2 . 1 . . . . . . . . 4338 1 49 . 1 1 27 27 ILE H H 1 9.68 0.02 . 1 . . . . . . . . 4338 1 50 . 1 1 27 27 ILE N N 15 113.3 0.2 . 1 . . . . . . . . 4338 1 51 . 1 1 28 28 THR H H 1 8.04 0.02 . 1 . . . . . . . . 4338 1 52 . 1 1 28 28 THR N N 15 106.4 0.2 . 1 . . . . . . . . 4338 1 53 . 1 1 29 29 ASP H H 1 7.52 0.02 . 1 . . . . . . . . 4338 1 54 . 1 1 29 29 ASP N N 15 115.7 0.2 . 1 . . . . . . . . 4338 1 55 . 1 1 30 30 HIS H H 1 9.18 0.02 . 1 . . . . . . . . 4338 1 56 . 1 1 30 30 HIS N N 15 117.9 0.2 . 1 . . . . . . . . 4338 1 57 . 1 1 32 32 GLN H H 1 8.51 0.02 . 1 . . . . . . . . 4338 1 58 . 1 1 32 32 GLN N N 15 117.1 0.2 . 1 . . . . . . . . 4338 1 59 . 1 1 33 33 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 4338 1 60 . 1 1 33 33 ASP N N 15 120.6 0.2 . 1 . . . . . . . . 4338 1 61 . 1 1 34 34 HIS H H 1 7.53 0.02 . 1 . . . . . . . . 4338 1 62 . 1 1 34 34 HIS N N 15 113.7 0.2 . 1 . . . . . . . . 4338 1 63 . 1 1 35 35 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 4338 1 64 . 1 1 35 35 LEU N N 15 120.6 0.2 . 1 . . . . . . . . 4338 1 65 . 1 1 36 36 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 4338 1 66 . 1 1 36 36 GLY N N 15 106.2 0.2 . 1 . . . . . . . . 4338 1 67 . 1 1 38 38 VAL H H 1 9.50 0.02 . 1 . . . . . . . . 4338 1 68 . 1 1 38 38 VAL N N 15 130.2 0.2 . 1 . . . . . . . . 4338 1 69 . 1 1 39 39 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 4338 1 70 . 1 1 39 39 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4338 1 71 . 1 1 40 40 PHE H H 1 7.97 0.02 . 1 . . . . . . . . 4338 1 72 . 1 1 40 40 PHE N N 15 122.2 0.2 . 1 . . . . . . . . 4338 1 73 . 1 1 41 41 VAL H H 1 7.56 0.02 . 1 . . . . . . . . 4338 1 74 . 1 1 41 41 VAL N N 15 124.0 0.2 . 1 . . . . . . . . 4338 1 75 . 1 1 42 42 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 4338 1 76 . 1 1 42 42 GLU N N 15 126.8 0.2 . 1 . . . . . . . . 4338 1 77 . 1 1 43 43 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 4338 1 78 . 1 1 43 43 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 4338 1 79 . 1 1 45 45 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 4338 1 80 . 1 1 45 45 GLU N N 15 116.2 0.2 . 1 . . . . . . . . 4338 1 81 . 1 1 47 47 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4338 1 82 . 1 1 47 47 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 4338 1 83 . 1 1 48 48 VAL H H 1 7.25 0.02 . 1 . . . . . . . . 4338 1 84 . 1 1 48 48 VAL N N 15 116.4 0.2 . 1 . . . . . . . . 4338 1 85 . 1 1 49 49 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4338 1 86 . 1 1 49 49 SER N N 15 117.8 0.2 . 1 . . . . . . . . 4338 1 87 . 1 1 50 50 VAL H H 1 9.19 0.02 . 1 . . . . . . . . 4338 1 88 . 1 1 50 50 VAL N N 15 116.8 0.2 . 1 . . . . . . . . 4338 1 89 . 1 1 51 51 THR H H 1 9.15 0.02 . 1 . . . . . . . . 4338 1 90 . 1 1 51 51 THR N N 15 120.4 0.2 . 1 . . . . . . . . 4338 1 91 . 1 1 52 52 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 4338 1 92 . 1 1 52 52 LYS N N 15 126.3 0.2 . 1 . . . . . . . . 4338 1 93 . 1 1 53 53 GLY H H 1 9.11 0.02 . 1 . . . . . . . . 4338 1 94 . 1 1 53 53 GLY N N 15 114.3 0.2 . 1 . . . . . . . . 4338 1 95 . 1 1 54 54 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4338 1 96 . 1 1 54 54 LYS N N 15 119.1 0.2 . 1 . . . . . . . . 4338 1 97 . 1 1 55 55 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 4338 1 98 . 1 1 55 55 GLY N N 15 114.2 0.2 . 1 . . . . . . . . 4338 1 99 . 1 1 56 56 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 4338 1 100 . 1 1 56 56 PHE N N 15 118.0 0.2 . 1 . . . . . . . . 4338 1 101 . 1 1 57 57 GLY H H 1 7.02 0.02 . 1 . . . . . . . . 4338 1 102 . 1 1 57 57 GLY N N 15 109.6 0.2 . 1 . . . . . . . . 4338 1 103 . 1 1 58 58 ALA H H 1 8.65 0.02 . 1 . . . . . . . . 4338 1 104 . 1 1 58 58 ALA N N 15 122.3 0.2 . 1 . . . . . . . . 4338 1 105 . 1 1 59 59 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4338 1 106 . 1 1 59 59 VAL N N 15 114.8 0.2 . 1 . . . . . . . . 4338 1 107 . 1 1 60 60 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 4338 1 108 . 1 1 60 60 GLU N N 15 123.7 0.2 . 1 . . . . . . . . 4338 1 109 . 1 1 61 61 SER H H 1 9.64 0.02 . 1 . . . . . . . . 4338 1 110 . 1 1 61 61 SER N N 15 123.6 0.2 . 1 . . . . . . . . 4338 1 111 . 1 1 62 62 VAL H H 1 8.82 0.02 . 1 . . . . . . . . 4338 1 112 . 1 1 62 62 VAL N N 15 113.2 0.2 . 1 . . . . . . . . 4338 1 113 . 1 1 63 63 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 4338 1 114 . 1 1 63 63 LYS N N 15 116.1 0.2 . 1 . . . . . . . . 4338 1 115 . 1 1 64 64 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 4338 1 116 . 1 1 64 64 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 4338 1 117 . 1 1 65 65 THR H H 1 8.25 0.02 . 1 . . . . . . . . 4338 1 118 . 1 1 65 65 THR N N 15 113.4 0.2 . 1 . . . . . . . . 4338 1 119 . 1 1 66 66 SER H H 1 8.97 0.02 . 1 . . . . . . . . 4338 1 120 . 1 1 66 66 SER N N 15 119.3 0.2 . 1 . . . . . . . . 4338 1 121 . 1 1 67 67 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 4338 1 122 . 1 1 67 67 ASP N N 15 126.0 0.2 . 1 . . . . . . . . 4338 1 123 . 1 1 69 69 ASN H H 1 8.70 0.02 . 1 . . . . . . . . 4338 1 124 . 1 1 69 69 ASN N N 15 124.8 0.2 . 1 . . . . . . . . 4338 1 125 . 1 1 70 70 SER H H 1 8.42 0.02 . 1 . . . . . . . . 4338 1 126 . 1 1 70 70 SER N N 15 116.1 0.2 . 1 . . . . . . . . 4338 1 127 . 1 1 72 72 ILE H H 1 6.57 0.02 . 1 . . . . . . . . 4338 1 128 . 1 1 72 72 ILE N N 15 101.7 0.2 . 1 . . . . . . . . 4338 1 129 . 1 1 74 74 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4338 1 130 . 1 1 74 74 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 4338 1 131 . 1 1 75 75 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 4338 1 132 . 1 1 75 75 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4338 1 133 . 1 1 76 76 VAL H H 1 9.32 0.02 . 1 . . . . . . . . 4338 1 134 . 1 1 76 76 VAL N N 15 124.8 0.2 . 1 . . . . . . . . 4338 1 135 . 1 1 77 77 ILE H H 1 9.39 0.02 . 1 . . . . . . . . 4338 1 136 . 1 1 77 77 ILE N N 15 126.9 0.2 . 1 . . . . . . . . 4338 1 137 . 1 1 78 78 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4338 1 138 . 1 1 78 78 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 4338 1 139 . 1 1 79 79 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 4338 1 140 . 1 1 79 79 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4338 1 141 . 1 1 80 80 ASN H H 1 7.54 0.02 . 1 . . . . . . . . 4338 1 142 . 1 1 80 80 ASN N N 15 121.0 0.2 . 1 . . . . . . . . 4338 1 143 . 1 1 82 82 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4338 1 144 . 1 1 82 82 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 4338 1 145 . 1 1 83 83 LEU H H 1 7.24 0.02 . 1 . . . . . . . . 4338 1 146 . 1 1 83 83 LEU N N 15 117.8 0.2 . 1 . . . . . . . . 4338 1 147 . 1 1 84 84 THR H H 1 7.38 0.02 . 1 . . . . . . . . 4338 1 148 . 1 1 84 84 THR N N 15 111.6 0.2 . 1 . . . . . . . . 4338 1 149 . 1 1 85 85 GLY H H 1 7.56 0.02 . 1 . . . . . . . . 4338 1 150 . 1 1 85 85 GLY N N 15 106.5 0.2 . 1 . . . . . . . . 4338 1 151 . 1 1 86 86 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4338 1 152 . 1 1 86 86 LYS N N 15 119.9 0.2 . 1 . . . . . . . . 4338 1 153 . 1 1 88 88 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 4338 1 154 . 1 1 88 88 GLY N N 15 102.2 0.2 . 1 . . . . . . . . 4338 1 155 . 1 1 89 89 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 4338 1 156 . 1 1 89 89 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 4338 1 157 . 1 1 90 90 ILE H H 1 7.68 0.02 . 1 . . . . . . . . 4338 1 158 . 1 1 90 90 ILE N N 15 116.4 0.2 . 1 . . . . . . . . 4338 1 159 . 1 1 91 91 ASN H H 1 6.88 0.02 . 1 . . . . . . . . 4338 1 160 . 1 1 91 91 ASN N N 15 108.4 0.2 . 1 . . . . . . . . 4338 1 161 . 1 1 92 92 SER H H 1 8.07 0.02 . 1 . . . . . . . . 4338 1 162 . 1 1 92 92 SER N N 15 110.6 0.2 . 1 . . . . . . . . 4338 1 163 . 1 1 93 93 SER H H 1 8.14 0.02 . 1 . . . . . . . . 4338 1 164 . 1 1 93 93 SER N N 15 117.6 0.2 . 1 . . . . . . . . 4338 1 165 . 1 1 95 95 TYR H H 1 7.96 0.02 . 1 . . . . . . . . 4338 1 166 . 1 1 95 95 TYR N N 15 109.1 0.2 . 1 . . . . . . . . 4338 1 167 . 1 1 96 96 GLU H H 1 7.23 0.02 . 1 . . . . . . . . 4338 1 168 . 1 1 96 96 GLU N N 15 118.4 0.2 . 1 . . . . . . . . 4338 1 169 . 1 1 97 97 ASP H H 1 9.30 0.02 . 1 . . . . . . . . 4338 1 170 . 1 1 97 97 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 4338 1 171 . 1 1 98 98 GLY H H 1 9.08 0.02 . 1 . . . . . . . . 4338 1 172 . 1 1 98 98 GLY N N 15 106.3 0.2 . 1 . . . . . . . . 4338 1 173 . 1 1 99 99 TRP H H 1 6.90 0.02 . 1 . . . . . . . . 4338 1 174 . 1 1 99 99 TRP N N 15 116.2 0.2 . 1 . . . . . . . . 4338 1 175 . 1 1 100 100 MET H H 1 8.92 0.02 . 1 . . . . . . . . 4338 1 176 . 1 1 100 100 MET N N 15 114.4 0.2 . 1 . . . . . . . . 4338 1 177 . 1 1 101 101 ILE H H 1 7.47 0.02 . 1 . . . . . . . . 4338 1 178 . 1 1 101 101 ILE N N 15 105.6 0.2 . 1 . . . . . . . . 4338 1 179 . 1 1 102 102 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 4338 1 180 . 1 1 102 102 LYS N N 15 120.1 0.2 . 1 . . . . . . . . 4338 1 181 . 1 1 103 103 ILE H H 1 9.45 0.02 . 1 . . . . . . . . 4338 1 182 . 1 1 103 103 ILE N N 15 116.1 0.2 . 1 . . . . . . . . 4338 1 183 . 1 1 104 104 LYS H H 1 9.03 0.02 . 1 . . . . . . . . 4338 1 184 . 1 1 104 104 LYS N N 15 124.2 0.2 . 1 . . . . . . . . 4338 1 185 . 1 1 106 106 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4338 1 186 . 1 1 106 106 THR N N 15 113.1 0.2 . 1 . . . . . . . . 4338 1 187 . 1 1 107 107 SER H H 1 9.20 0.02 . 1 . . . . . . . . 4338 1 188 . 1 1 107 107 SER N N 15 118.0 0.2 . 1 . . . . . . . . 4338 1 189 . 1 1 109 109 ASP H H 1 8.82 0.02 . 1 . . . . . . . . 4338 1 190 . 1 1 109 109 ASP N N 15 119.6 0.2 . 1 . . . . . . . . 4338 1 191 . 1 1 110 110 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4338 1 192 . 1 1 110 110 GLU N N 15 119.7 0.2 . 1 . . . . . . . . 4338 1 193 . 1 1 111 111 LEU H H 1 7.70 0.02 . 1 . . . . . . . . 4338 1 194 . 1 1 111 111 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4338 1 195 . 1 1 112 112 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 4338 1 196 . 1 1 112 112 GLU N N 15 115.0 0.2 . 1 . . . . . . . . 4338 1 197 . 1 1 113 113 SER H H 1 7.47 0.02 . 1 . . . . . . . . 4338 1 198 . 1 1 113 113 SER N N 15 110.7 0.2 . 1 . . . . . . . . 4338 1 199 . 1 1 114 114 LEU H H 1 6.95 0.02 . 1 . . . . . . . . 4338 1 200 . 1 1 114 114 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 4338 1 201 . 1 1 115 115 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 4338 1 202 . 1 1 115 115 LEU N N 15 120.3 0.2 . 1 . . . . . . . . 4338 1 203 . 1 1 116 116 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4338 1 204 . 1 1 116 116 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 4338 1 205 . 1 1 117 117 ALA H H 1 9.07 0.02 . 1 . . . . . . . . 4338 1 206 . 1 1 117 117 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 4338 1 207 . 1 1 118 118 LYS H H 1 8.90 0.02 . 1 . . . . . . . . 4338 1 208 . 1 1 118 118 LYS N N 15 118.6 0.2 . 1 . . . . . . . . 4338 1 209 . 1 1 119 119 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 4338 1 210 . 1 1 119 119 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4338 1 211 . 1 1 120 120 TYR H H 1 9.36 0.02 . 1 . . . . . . . . 4338 1 212 . 1 1 120 120 TYR N N 15 123.1 0.2 . 1 . . . . . . . . 4338 1 213 . 1 1 121 121 THR H H 1 8.50 0.02 . 1 . . . . . . . . 4338 1 214 . 1 1 121 121 THR N N 15 118.0 0.2 . 1 . . . . . . . . 4338 1 215 . 1 1 122 122 LYS H H 1 7.35 0.02 . 1 . . . . . . . . 4338 1 216 . 1 1 122 122 LYS N N 15 120.9 0.2 . 1 . . . . . . . . 4338 1 217 . 1 1 123 123 PHE H H 1 8.22 0.02 . 1 . . . . . . . . 4338 1 218 . 1 1 123 123 PHE N N 15 120.3 0.2 . 1 . . . . . . . . 4338 1 219 . 1 1 124 124 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4338 1 220 . 1 1 124 124 CYS N N 15 116.4 0.2 . 1 . . . . . . . . 4338 1 221 . 1 1 125 125 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4338 1 222 . 1 1 125 125 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 4338 1 223 . 1 1 126 126 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 4338 1 224 . 1 1 126 126 GLU N N 15 118.9 0.2 . 1 . . . . . . . . 4338 1 225 . 1 1 127 127 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 4338 1 226 . 1 1 127 127 GLU N N 15 121.2 0.2 . 1 . . . . . . . . 4338 1 227 . 1 1 128 128 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 4338 1 228 . 1 1 128 128 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 4338 1 229 . 1 1 129 129 ALA H H 1 7.49 0.02 . 1 . . . . . . . . 4338 1 230 . 1 1 129 129 ALA N N 15 121.4 0.2 . 1 . . . . . . . . 4338 1 231 . 1 1 130 130 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 4338 1 232 . 1 1 130 130 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4338 1 233 . 1 1 131 131 HIS H H 1 7.82 0.02 . 1 . . . . . . . . 4338 1 234 . 1 1 131 131 HIS N N 15 122.2 0.2 . 1 . . . . . . . . 4338 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_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4338 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_four _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 ; The residue 37 and 81 were superposed at 308K. Consequently they were assigned at 291K by comparison with the lipoylated form Hox (BMRB accession number 4337) As they were not assigned unambigously, they were given an ambiguity code of 5. ; _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_one . 4338 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 . 1 1 37 37 GLU H H 1 8.00 0.02 . 5 . . . . . . . . 4338 2 2 . 1 1 37 37 GLU N N 15 118.1 0.2 . 5 . . . . . . . . 4338 2 3 . 1 1 81 81 THR H H 1 7.96 0.02 . 5 . . . . . . . . 4338 2 4 . 1 1 81 81 THR N N 15 118.6 0.2 . 5 . . . . . . . . 4338 2 stop_ save_