################################### # 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_assign_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assign_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4357 _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 _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 $Pbx1-HD_sample_1 . 4357 1 . . 2 $Pbx1-HD_sample_2 . 4357 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 7 7 ASN CA C 13 52.910 . . 1 . . . . . . . . 4357 1 2 . 1 1 8 8 PHE N N 15 121.196 . . 1 . . . . . . . . 4357 1 3 . 1 1 8 8 PHE H H 1 8.300 . . 1 . . . . . . . . 4357 1 4 . 1 1 8 8 PHE CA C 13 57.085 . . 1 . . . . . . . . 4357 1 5 . 1 1 9 9 ASN N N 15 121.195 . . 1 . . . . . . . . 4357 1 6 . 1 1 9 9 ASN H H 1 8.340 . . 1 . . . . . . . . 4357 1 7 . 1 1 9 9 ASN CA C 13 52.853 . . 1 . . . . . . . . 4357 1 8 . 1 1 10 10 LYS N N 15 121.839 . . 1 . . . . . . . . 4357 1 9 . 1 1 10 10 LYS H H 1 8.547 . . 1 . . . . . . . . 4357 1 10 . 1 1 10 10 LYS CA C 13 58.984 . . 1 . . . . . . . . 4357 1 11 . 1 1 11 11 GLN N N 15 119.563 . . 1 . . . . . . . . 4357 1 12 . 1 1 11 11 GLN H H 1 8.312 . . 1 . . . . . . . . 4357 1 13 . 1 1 11 11 GLN CA C 13 58.821 . . 1 . . . . . . . . 4357 1 14 . 1 1 12 12 ALA N N 15 121.427 . . 1 . . . . . . . . 4357 1 15 . 1 1 12 12 ALA H H 1 8.106 . . 1 . . . . . . . . 4357 1 16 . 1 1 12 12 ALA CA C 13 54.720 . . 1 . . . . . . . . 4357 1 17 . 1 1 13 13 THR N N 15 111.782 . . 1 . . . . . . . . 4357 1 18 . 1 1 13 13 THR H H 1 7.936 . . 1 . . . . . . . . 4357 1 19 . 1 1 13 13 THR CA C 13 67.078 . . 1 . . . . . . . . 4357 1 20 . 1 1 14 14 GLU N N 15 119.770 . . 1 . . . . . . . . 4357 1 21 . 1 1 14 14 GLU H H 1 7.680 . . 1 . . . . . . . . 4357 1 22 . 1 1 14 14 GLU CA C 13 58.876 . . 1 . . . . . . . . 4357 1 23 . 1 1 15 15 ILE N N 15 122.503 . . 1 . . . . . . . . 4357 1 24 . 1 1 15 15 ILE H H 1 7.726 . . 1 . . . . . . . . 4357 1 25 . 1 1 15 15 ILE CA C 13 64.859 . . 1 . . . . . . . . 4357 1 26 . 1 1 16 16 LEU N N 15 122.203 . . 1 . . . . . . . . 4357 1 27 . 1 1 16 16 LEU H H 1 8.063 . . 1 . . . . . . . . 4357 1 28 . 1 1 16 16 LEU CA C 13 58.027 . . 1 . . . . . . . . 4357 1 29 . 1 1 17 17 ASN N N 15 118.503 . . 1 . . . . . . . . 4357 1 30 . 1 1 17 17 ASN H H 1 8.442 . . 1 . . . . . . . . 4357 1 31 . 1 1 17 17 ASN CA C 13 56.178 . . 1 . . . . . . . . 4357 1 32 . 1 1 18 18 GLU N N 15 119.866 . . 1 . . . . . . . . 4357 1 33 . 1 1 18 18 GLU H H 1 8.188 . . 1 . . . . . . . . 4357 1 34 . 1 1 18 18 GLU CA C 13 59.768 . . 1 . . . . . . . . 4357 1 35 . 1 1 19 19 TYR N N 15 120.131 . . 1 . . . . . . . . 4357 1 36 . 1 1 19 19 TYR H H 1 7.936 . . 1 . . . . . . . . 4357 1 37 . 1 1 19 19 TYR CA C 13 62.379 . . 1 . . . . . . . . 4357 1 38 . 1 1 20 20 PHE N N 15 122.277 . . 1 . . . . . . . . 4357 1 39 . 1 1 20 20 PHE H H 1 9.439 . . 1 . . . . . . . . 4357 1 40 . 1 1 20 20 PHE CA C 13 63.237 . . 1 . . . . . . . . 4357 1 41 . 1 1 21 21 TYR N N 15 112.665 . . 1 . . . . . . . . 4357 1 42 . 1 1 21 21 TYR H H 1 8.775 . . 1 . . . . . . . . 4357 1 43 . 1 1 21 21 TYR CA C 13 61.967 . . 1 . . . . . . . . 4357 1 44 . 1 1 22 22 SER N N 15 112.205 . . 1 . . . . . . . . 4357 1 45 . 1 1 22 22 SER H H 1 7.621 . . 1 . . . . . . . . 4357 1 46 . 1 1 22 22 SER CA C 13 58.917 . . 1 . . . . . . . . 4357 1 47 . 1 1 23 23 HIS N N 15 120.948 . . 1 . . . . . . . . 4357 1 48 . 1 1 23 23 HIS H H 1 7.451 . . 1 . . . . . . . . 4357 1 49 . 1 1 23 23 HIS CA C 13 55.453 . . 1 . . . . . . . . 4357 1 50 . 1 1 24 24 LEU N N 15 120.951 . . 1 . . . . . . . . 4357 1 51 . 1 1 24 24 LEU H H 1 7.382 . . 1 . . . . . . . . 4357 1 52 . 1 1 24 24 LEU CA C 13 57.482 . . 1 . . . . . . . . 4357 1 53 . 1 1 25 25 SER N N 15 110.692 . . 1 . . . . . . . . 4357 1 54 . 1 1 25 25 SER H H 1 8.133 . . 1 . . . . . . . . 4357 1 55 . 1 1 25 25 SER CA C 13 59.590 . . 1 . . . . . . . . 4357 1 56 . 1 1 26 26 ASN N N 15 115.704 . . 1 . . . . . . . . 4357 1 57 . 1 1 26 26 ASN H H 1 7.510 . . 1 . . . . . . . . 4357 1 58 . 1 1 26 26 ASN CA C 13 51.703 . . 1 . . . . . . . . 4357 1 59 . 1 1 29 29 PRO CA C 13 61.850 . . 1 . . . . . . . . 4357 1 60 . 1 1 30 30 SER N N 15 118.055 . . 1 . . . . . . . . 4357 1 61 . 1 1 30 30 SER H H 1 8.311 . . 1 . . . . . . . . 4357 1 62 . 1 1 30 30 SER CA C 13 56.951 . . 1 . . . . . . . . 4357 1 63 . 1 1 31 31 GLU N N 15 120.414 . . 1 . . . . . . . . 4357 1 64 . 1 1 31 31 GLU H H 1 8.964 . . 1 . . . . . . . . 4357 1 65 . 1 1 31 31 GLU CA C 13 59.878 . . 1 . . . . . . . . 4357 1 66 . 1 1 32 32 GLU N N 15 118.658 . . 1 . . . . . . . . 4357 1 67 . 1 1 32 32 GLU H H 1 8.710 . . 1 . . . . . . . . 4357 1 68 . 1 1 32 32 GLU CA C 13 59.732 . . 1 . . . . . . . . 4357 1 69 . 1 1 33 33 ALA N N 15 124.283 . . 1 . . . . . . . . 4357 1 70 . 1 1 33 33 ALA H H 1 7.913 . . 1 . . . . . . . . 4357 1 71 . 1 1 33 33 ALA CA C 13 54.619 . . 1 . . . . . . . . 4357 1 72 . 1 1 34 34 LYS N N 15 117.074 . . 1 . . . . . . . . 4357 1 73 . 1 1 34 34 LYS H H 1 8.461 . . 1 . . . . . . . . 4357 1 74 . 1 1 34 34 LYS CA C 13 60.625 . . 1 . . . . . . . . 4357 1 75 . 1 1 35 35 GLU N N 15 119.180 . . 1 . . . . . . . . 4357 1 76 . 1 1 35 35 GLU H H 1 8.000 . . 1 . . . . . . . . 4357 1 77 . 1 1 35 35 GLU CA C 13 59.213 . . 1 . . . . . . . . 4357 1 78 . 1 1 36 36 GLU N N 15 120.408 . . 1 . . . . . . . . 4357 1 79 . 1 1 36 36 GLU H H 1 7.662 . . 1 . . . . . . . . 4357 1 80 . 1 1 36 36 GLU CA C 13 59.026 . . 1 . . . . . . . . 4357 1 81 . 1 1 37 37 LEU N N 15 119.940 . . 1 . . . . . . . . 4357 1 82 . 1 1 37 37 LEU H H 1 8.253 . . 1 . . . . . . . . 4357 1 83 . 1 1 37 37 LEU CA C 13 57.608 . . 1 . . . . . . . . 4357 1 84 . 1 1 38 38 ALA N N 15 123.052 . . 1 . . . . . . . . 4357 1 85 . 1 1 38 38 ALA H H 1 8.650 . . 1 . . . . . . . . 4357 1 86 . 1 1 38 38 ALA CA C 13 55.749 . . 1 . . . . . . . . 4357 1 87 . 1 1 39 39 LYS N N 15 116.938 . . 1 . . . . . . . . 4357 1 88 . 1 1 39 39 LYS H H 1 7.644 . . 1 . . . . . . . . 4357 1 89 . 1 1 39 39 LYS CA C 13 59.823 . . 1 . . . . . . . . 4357 1 90 . 1 1 40 40 LYS N N 15 118.846 . . 1 . . . . . . . . 4357 1 91 . 1 1 40 40 LYS H H 1 8.006 . . 1 . . . . . . . . 4357 1 92 . 1 1 40 40 LYS CA C 13 59.134 . . 1 . . . . . . . . 4357 1 93 . 1 1 41 41 CYS N N 15 112.784 . . 1 . . . . . . . . 4357 1 94 . 1 1 41 41 CYS H H 1 8.090 . . 1 . . . . . . . . 4357 1 95 . 1 1 41 41 CYS CA C 13 60.928 . . 1 . . . . . . . . 4357 1 96 . 1 1 42 42 GLY N N 15 109.721 . . 1 . . . . . . . . 4357 1 97 . 1 1 42 42 GLY H H 1 7.927 . . 1 . . . . . . . . 4357 1 98 . 1 1 42 42 GLY CA C 13 46.433 . . 1 . . . . . . . . 4357 1 99 . 1 1 43 43 ILE N N 15 112.245 . . 1 . . . . . . . . 4357 1 100 . 1 1 43 43 ILE H H 1 7.682 . . 1 . . . . . . . . 4357 1 101 . 1 1 43 43 ILE CA C 13 58.917 . . 1 . . . . . . . . 4357 1 102 . 1 1 44 44 THR N N 15 108.294 . . 1 . . . . . . . . 4357 1 103 . 1 1 44 44 THR H H 1 8.214 . . 1 . . . . . . . . 4357 1 104 . 1 1 44 44 THR CA C 13 60.196 . . 1 . . . . . . . . 4357 1 105 . 1 1 45 45 VAL N N 15 120.743 . . 1 . . . . . . . . 4357 1 106 . 1 1 45 45 VAL H H 1 8.944 . . 1 . . . . . . . . 4357 1 107 . 1 1 45 45 VAL CA C 13 67.034 . . 1 . . . . . . . . 4357 1 108 . 1 1 46 46 SER N N 15 115.688 . . 1 . . . . . . . . 4357 1 109 . 1 1 46 46 SER H H 1 8.367 . . 1 . . . . . . . . 4357 1 110 . 1 1 46 46 SER CA C 13 61.446 . . 1 . . . . . . . . 4357 1 111 . 1 1 47 47 GLN N N 15 121.543 . . 1 . . . . . . . . 4357 1 112 . 1 1 47 47 GLN H H 1 7.815 . . 1 . . . . . . . . 4357 1 113 . 1 1 47 47 GLN CA C 13 59.259 . . 1 . . . . . . . . 4357 1 114 . 1 1 48 48 VAL N N 15 121.939 . . 1 . . . . . . . . 4357 1 115 . 1 1 48 48 VAL H H 1 8.223 . . 1 . . . . . . . . 4357 1 116 . 1 1 48 48 VAL CA C 13 67.424 . . 1 . . . . . . . . 4357 1 117 . 1 1 49 49 SER N N 15 115.951 . . 1 . . . . . . . . 4357 1 118 . 1 1 49 49 SER H H 1 8.989 . . 1 . . . . . . . . 4357 1 119 . 1 1 49 49 SER CA C 13 62.478 . . 1 . . . . . . . . 4357 1 120 . 1 1 50 50 ASN N N 15 121.120 . . 1 . . . . . . . . 4357 1 121 . 1 1 50 50 ASN H H 1 8.601 . . 1 . . . . . . . . 4357 1 122 . 1 1 50 50 ASN CA C 13 55.897 . . 1 . . . . . . . . 4357 1 123 . 1 1 51 51 TRP N N 15 122.755 . . 1 . . . . . . . . 4357 1 124 . 1 1 51 51 TRP H H 1 8.460 . . 1 . . . . . . . . 4357 1 125 . 1 1 51 51 TRP CA C 13 62.502 . . 1 . . . . . . . . 4357 1 126 . 1 1 51 51 TRP NE1 N 15 128.871 . . 1 . . . . . . . . 4357 1 127 . 1 1 51 51 TRP HE1 H 1 9.956 . . 1 . . . . . . . . 4357 1 128 . 1 1 52 52 PHE N N 15 118.123 . . 1 . . . . . . . . 4357 1 129 . 1 1 52 52 PHE H H 1 8.741 . . 1 . . . . . . . . 4357 1 130 . 1 1 52 52 PHE CA C 13 63.345 . . 1 . . . . . . . . 4357 1 131 . 1 1 53 53 GLY N N 15 106.168 . . 1 . . . . . . . . 4357 1 132 . 1 1 53 53 GLY H H 1 8.251 . . 1 . . . . . . . . 4357 1 133 . 1 1 53 53 GLY CA C 13 47.339 . . 1 . . . . . . . . 4357 1 134 . 1 1 54 54 ASN N N 15 118.619 . . 1 . . . . . . . . 4357 1 135 . 1 1 54 54 ASN H H 1 7.563 . . 1 . . . . . . . . 4357 1 136 . 1 1 54 54 ASN CA C 13 55.373 . . 1 . . . . . . . . 4357 1 137 . 1 1 55 55 LYS N N 15 122.384 . . 1 . . . . . . . . 4357 1 138 . 1 1 55 55 LYS H H 1 8.034 . . 1 . . . . . . . . 4357 1 139 . 1 1 55 55 LYS CA C 13 56.777 . . 1 . . . . . . . . 4357 1 140 . 1 1 56 56 ARG N N 15 115.965 . . 1 . . . . . . . . 4357 1 141 . 1 1 56 56 ARG H H 1 8.090 . . 1 . . . . . . . . 4357 1 142 . 1 1 56 56 ARG CA C 13 60.226 . . 1 . . . . . . . . 4357 1 143 . 1 1 57 57 ILE N N 15 117.790 . . 1 . . . . . . . . 4357 1 144 . 1 1 57 57 ILE H H 1 7.082 . . 1 . . . . . . . . 4357 1 145 . 1 1 57 57 ILE CA C 13 63.883 . . 1 . . . . . . . . 4357 1 146 . 1 1 58 58 ARG N N 15 120.451 . . 1 . . . . . . . . 4357 1 147 . 1 1 58 58 ARG H H 1 7.780 . . 1 . . . . . . . . 4357 1 148 . 1 1 58 58 ARG CA C 13 58.274 . . 1 . . . . . . . . 4357 1 149 . 1 1 59 59 TYR N N 15 120.138 . . 1 . . . . . . . . 4357 1 150 . 1 1 59 59 TYR H H 1 8.484 . . 1 . . . . . . . . 4357 1 151 . 1 1 59 59 TYR CA C 13 60.797 . . 1 . . . . . . . . 4357 1 152 . 1 1 60 60 LYS N N 15 119.336 . . 1 . . . . . . . . 4357 1 153 . 1 1 60 60 LYS H H 1 7.730 . . 1 . . . . . . . . 4357 1 154 . 1 1 61 61 LYS N N 15 119.685 . . 1 . . . . . . . . 4357 1 155 . 1 1 61 61 LYS H H 1 7.886 . . 1 . . . . . . . . 4357 1 156 . 1 1 61 61 LYS CA C 13 57.537 . . 1 . . . . . . . . 4357 1 157 . 1 1 62 62 ASN N N 15 118.544 . . 1 . . . . . . . . 4357 1 158 . 1 1 62 62 ASN H H 1 8.149 . . 1 . . . . . . . . 4357 1 159 . 1 1 62 62 ASN CA C 13 53.898 . . 1 . . . . . . . . 4357 1 160 . 1 1 63 63 ILE N N 15 117.845 . . 1 . . . . . . . . 4357 1 161 . 1 1 63 63 ILE H H 1 7.867 . . 1 . . . . . . . . 4357 1 162 . 1 1 63 63 ILE CA C 13 61.204 . . 1 . . . . . . . . 4357 1 163 . 1 1 64 64 GLY N N 15 117.079 . . 1 . . . . . . . . 4357 1 164 . 1 1 64 64 GLY H H 1 7.724 . . 1 . . . . . . . . 4357 1 165 . 1 1 64 64 GLY CA C 13 46.053 . . 1 . . . . . . . . 4357 1 stop_ save_