################################### # 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 28027 _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 $chemical_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-15N HSQC' . . . 28027 1 2 '3D HNCACB' . . . 28027 1 3 '3D CBCA(CO)NH' . . . 28027 1 4 '3D HN(CA)NNH' . . . 28027 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 10 10 MET H H 1 8.648 . . . . . . . . 49 M HN . 28027 1 2 . 1 . 1 10 10 MET N N 15 120.302 . . . . . . . . 49 M N . 28027 1 3 . 1 . 1 11 11 SER H H 1 8.189 . . . . . . . . 50 S HN . 28027 1 4 . 1 . 1 11 11 SER N N 15 116.090 . . . . . . . . 50 S N . 28027 1 5 . 1 . 1 12 12 ASP H H 1 8.249 . . . . . . . . 51 D HN . 28027 1 6 . 1 . 1 12 12 ASP N N 15 121.779 . . . . . . . . 51 D N . 28027 1 7 . 1 . 1 13 13 TYR H H 1 7.823 . . . . . . . . 52 Y HN . 28027 1 8 . 1 . 1 13 13 TYR N N 15 118.789 . . . . . . . . 52 Y N . 28027 1 9 . 1 . 1 14 14 ASP H H 1 8.071 . . . . . . . . 53 D HN . 28027 1 10 . 1 . 1 14 14 ASP N N 15 121.599 . . . . . . . . 53 D N . 28027 1 11 . 1 . 1 15 15 ILE H H 1 7.839 . . . . . . . . 54 I HN . 28027 1 12 . 1 . 1 15 15 ILE N N 15 122.175 . . . . . . . . 54 I N . 28027 1 13 . 1 . 1 17 17 THR H H 1 8.220 . . . . . . . . 56 T HN . 28027 1 14 . 1 . 1 17 17 THR N N 15 114.495 . . . . . . . . 56 T N . 28027 1 15 . 1 . 1 18 18 THR H H 1 8.015 . . . . . . . . 57 T HN . 28027 1 16 . 1 . 1 18 18 THR N N 15 115.235 . . . . . . . . 57 T N . 28027 1 17 . 1 . 1 19 19 GLU H H 1 8.307 . . . . . . . . 58 E HN . 28027 1 18 . 1 . 1 19 19 GLU N N 15 122.636 . . . . . . . . 58 E N . 28027 1 19 . 1 . 1 20 20 ASN H H 1 8.301 . . . . . . . . 59 N HN . 28027 1 20 . 1 . 1 20 20 ASN N N 15 119.338 . . . . . . . . 59 N N . 28027 1 21 . 1 . 1 21 21 LEU H H 1 7.959 . . . . . . . . 60 L HN . 28027 1 22 . 1 . 1 21 21 LEU N N 15 122.128 . . . . . . . . 60 L N . 28027 1 23 . 1 . 1 22 22 TYR H H 1 7.894 . . . . . . . . 61 Y HN . 28027 1 24 . 1 . 1 22 22 TYR N N 15 119.485 . . . . . . . . 61 Y N . 28027 1 25 . 1 . 1 23 23 PHE H H 1 7.906 . . . . . . . . 62 F HN . 28027 1 26 . 1 . 1 23 23 PHE N N 15 121.297 . . . . . . . . 62 F N . 28027 1 27 . 1 . 1 24 24 GLN H H 1 7.670 . . . . . . . . 63 Q HN . 28027 1 28 . 1 . 1 24 24 GLN N N 15 126.010 . . . . . . . . 63 Q N . 28027 1 29 . 1 . 1 27 27 MET H H 1 8.476 . . . . . . . . 66 M HN . 28027 1 30 . 1 . 1 27 27 MET N N 15 119.232 . . . . . . . . 66 M N . 28027 1 31 . 1 . 1 28 28 GLY H H 1 8.258 . . . . . . . . 67 G HN . 28027 1 32 . 1 . 1 28 28 GLY N N 15 110.037 . . . . . . . . 67 G N . 28027 1 33 . 1 . 1 29 29 ASN H H 1 7.906 . . . . . . . . 68 N HN . 28027 1 34 . 1 . 1 29 29 ASN N N 15 124.123 . . . . . . . . 68 N N . 28027 1 35 . 1 . 1 30 30 GLY H H 1 8.213 . . . . . . . . 69 G HN . 28027 1 36 . 1 . 1 30 30 GLY N N 15 113.905 . . . . . . . . 69 G N . 28027 1 37 . 1 . 1 31 31 LYS H H 1 8.195 . . . . . . . . 70 K HN . 28027 1 38 . 1 . 1 31 31 LYS N N 15 120.365 . . . . . . . . 70 K N . 28027 1 39 . 1 . 1 32 32 SER H H 1 8.308 . . . . . . . . 71 S HN . 28027 1 40 . 1 . 1 32 32 SER N N 15 117.006 . . . . . . . . 71 S N . 28027 1 41 . 1 . 1 33 33 VAL H H 1 8.190 . . . . . . . . 72 V HN . 28027 1 42 . 1 . 1 33 33 VAL N N 15 121.310 . . . . . . . . 72 V N . 28027 1 43 . 1 . 1 34 34 ASP H H 1 8.265 . . . . . . . . 73 D HN . 28027 1 44 . 1 . 1 34 34 ASP N N 15 123.069 . . . . . . . . 73 D N . 28027 1 45 . 1 . 1 35 35 GLY H H 1 8.279 . . . . . . . . 74 G HN . 28027 1 46 . 1 . 1 35 35 GLY N N 15 109.462 . . . . . . . . 74 G N . 28027 1 47 . 1 . 1 36 36 ARG H H 1 8.022 . . . . . . . . 75 R HN . 28027 1 48 . 1 . 1 36 36 ARG N N 15 120.063 . . . . . . . . 75 R N . 28027 1 49 . 1 . 1 37 37 GLN H H 1 8.315 . . . . . . . . 76 Q HN . 28027 1 50 . 1 . 1 37 37 GLN N N 15 121.028 . . . . . . . . 76 Q N . 28027 1 51 . 1 . 1 38 38 ILE H H 1 8.098 . . . . . . . . 77 I HN . 28027 1 52 . 1 . 1 38 38 ILE N N 15 122.600 . . . . . . . . 77 I N . 28027 1 53 . 1 . 1 39 39 ARG H H 1 8.337 . . . . . . . . 78 R HN . 28027 1 54 . 1 . 1 39 39 ARG N N 15 125.612 . . . . . . . . 78 R N . 28027 1 55 . 1 . 1 40 40 VAL H H 1 8.209 . . . . . . . . 79 V HN . 28027 1 56 . 1 . 1 40 40 VAL N N 15 121.835 . . . . . . . . 79 V N . 28027 1 57 . 1 . 1 41 41 ASP H H 1 8.387 . . . . . . . . 80 D HN . 28027 1 58 . 1 . 1 41 41 ASP N N 15 123.549 . . . . . . . . 80 D N . 28027 1 59 . 1 . 1 42 42 GLN H H 1 8.242 . . . . . . . . 81 Q HN . 28027 1 60 . 1 . 1 42 42 GLN N N 15 120.755 . . . . . . . . 81 Q N . 28027 1 61 . 1 . 1 43 43 ALA H H 1 8.230 . . . . . . . . 82 A HN . 28027 1 62 . 1 . 1 43 43 ALA N N 15 124.498 . . . . . . . . 82 A N . 28027 1 63 . 1 . 1 44 44 GLY H H 1 8.259 . . . . . . . . 83 G HN . 28027 1 64 . 1 . 1 44 44 GLY N N 15 107.954 . . . . . . . . 83 G N . 28027 1 65 . 1 . 1 45 45 LYS H H 1 8.060 . . . . . . . . 84 K HN . 28027 1 66 . 1 . 1 45 45 LYS N N 15 120.622 . . . . . . . . 84 K N . 28027 1 67 . 1 . 1 46 46 SER H H 1 8.342 . . . . . . . . 85 S HN . 28027 1 68 . 1 . 1 46 46 SER N N 15 116.969 . . . . . . . . 85 S N . 28027 1 69 . 1 . 1 47 47 SER H H 1 8.300 . . . . . . . . 86 S HN . 28027 1 70 . 1 . 1 47 47 SER N N 15 117.556 . . . . . . . . 86 S N . 28027 1 71 . 1 . 1 48 48 ASP H H 1 8.205 . . . . . . . . 87 D HN . 28027 1 72 . 1 . 1 48 48 ASP N N 15 122.030 . . . . . . . . 87 D N . 28027 1 73 . 1 . 1 49 49 ASN H H 1 8.293 . . . . . . . . 88 N HN . 28027 1 74 . 1 . 1 49 49 ASN N N 15 119.499 . . . . . . . . 88 N N . 28027 1 75 . 1 . 1 50 50 ARG H H 1 8.208 . . . . . . . . 89 R HN . 28027 1 76 . 1 . 1 50 50 ARG N N 15 120.641 . . . . . . . . 89 R N . 28027 1 77 . 1 . 1 51 51 SER H H 1 8.188 . . . . . . . . 90 S HN . 28027 1 78 . 1 . 1 51 51 SER N N 15 116.020 . . . . . . . . 90 S N . 28027 1 79 . 1 . 1 52 52 ARG H H 1 8.198 . . . . . . . . 91 R HN . 28027 1 80 . 1 . 1 52 52 ARG N N 15 122.450 . . . . . . . . 91 R N . 28027 1 81 . 1 . 1 53 53 GLY H H 1 8.223 . . . . . . . . 92 G HN . 28027 1 82 . 1 . 1 53 53 GLY N N 15 109.068 . . . . . . . . 92 G N . 28027 1 83 . 1 . 1 54 54 TYR H H 1 7.979 . . . . . . . . 93 Y HN . 28027 1 84 . 1 . 1 54 54 TYR N N 15 120.484 . . . . . . . . 93 Y N . 28027 1 85 . 1 . 1 55 55 ARG H H 1 8.261 . . . . . . . . 94 R HN . 28027 1 86 . 1 . 1 55 55 ARG N N 15 124.047 . . . . . . . . 94 R N . 28027 1 87 . 1 . 1 56 56 GLY H H 1 7.650 . . . . . . . . 95 G HN . 28027 1 88 . 1 . 1 56 56 GLY N N 15 108.926 . . . . . . . . 95 G N . 28027 1 89 . 1 . 1 57 57 GLY H H 1 8.149 . . . . . . . . 96 G HN . 28027 1 90 . 1 . 1 57 57 GLY N N 15 108.569 . . . . . . . . 96 G N . 28027 1 91 . 1 . 1 58 58 SER H H 1 8.213 . . . . . . . . 97 S HN . 28027 1 92 . 1 . 1 58 58 SER N N 15 115.770 . . . . . . . . 97 S N . 28027 1 93 . 1 . 1 59 59 ALA H H 1 8.342 . . . . . . . . 98 A HN . 28027 1 94 . 1 . 1 59 59 ALA N N 15 125.842 . . . . . . . . 98 A N . 28027 1 95 . 1 . 1 60 60 GLY H H 1 8.187 . . . . . . . . 99 G HN . 28027 1 96 . 1 . 1 60 60 GLY N N 15 107.763 . . . . . . . . 99 G N . 28027 1 97 . 1 . 1 61 61 GLY H H 1 8.115 . . . . . . . . 100 G HN . 28027 1 98 . 1 . 1 61 61 GLY N N 15 108.465 . . . . . . . . 100 G N . 28027 1 99 . 1 . 1 62 62 ARG H H 1 8.152 . . . . . . . . 101 R HN . 28027 1 100 . 1 . 1 62 62 ARG N N 15 120.141 . . . . . . . . 101 R N . 28027 1 101 . 1 . 1 63 63 GLY H H 1 8.300 . . . . . . . . 102 G HN . 28027 1 102 . 1 . 1 63 63 GLY N N 15 109.328 . . . . . . . . 102 G N . 28027 1 103 . 1 . 1 64 64 PHE H H 1 7.927 . . . . . . . . 103 F HN . 28027 1 104 . 1 . 1 64 64 PHE N N 15 119.893 . . . . . . . . 103 F N . 28027 1 105 . 1 . 1 65 65 PHE H H 1 8.167 . . . . . . . . 104 F HN . 28027 1 106 . 1 . 1 65 65 PHE N N 15 122.011 . . . . . . . . 104 F N . 28027 1 107 . 1 . 1 66 66 ARG H H 1 8.190 . . . . . . . . 105 R HN . 28027 1 108 . 1 . 1 66 66 ARG N N 15 123.553 . . . . . . . . 105 R N . 28027 1 109 . 1 . 1 67 67 GLY H H 1 7.815 . . . . . . . . 106 G HN . 28027 1 110 . 1 . 1 67 67 GLY N N 15 109.218 . . . . . . . . 106 G N . 28027 1 111 . 1 . 1 68 68 GLY H H 1 8.133 . . . . . . . . 107 G HN . 28027 1 112 . 1 . 1 68 68 GLY N N 15 108.516 . . . . . . . . 107 G N . 28027 1 113 . 1 . 1 74 74 GLY H H 1 8.338 . . . . . . . . 113 G HN . 28027 1 114 . 1 . 1 74 74 GLY N N 15 109.570 . . . . . . . . 113 G N . 28027 1 115 . 1 . 1 75 75 PHE H H 1 8.001 . . . . . . . . 114 F HN . 28027 1 116 . 1 . 1 75 75 PHE N N 15 119.821 . . . . . . . . 114 F N . 28027 1 117 . 1 . 1 76 76 SER H H 1 8.190 . . . . . . . . 115 S HN . 28027 1 118 . 1 . 1 76 76 SER N N 15 117.400 . . . . . . . . 115 S N . 28027 1 119 . 1 . 1 77 77 ARG H H 1 8.317 . . . . . . . . 116 R HN . 28027 1 120 . 1 . 1 77 77 ARG N N 15 123.065 . . . . . . . . 116 R N . 28027 1 121 . 1 . 1 78 78 GLY H H 1 8.346 . . . . . . . . 117 G HN . 28027 1 122 . 1 . 1 78 78 GLY N N 15 109.806 . . . . . . . . 117 G N . 28027 1 123 . 1 . 1 79 79 GLY H H 1 8.205 . . . . . . . . 118 G HN . 28027 1 124 . 1 . 1 79 79 GLY N N 15 108.703 . . . . . . . . 118 G N . 28027 1 125 . 1 . 1 80 80 GLY H H 1 8.242 . . . . . . . . 119 G HN . 28027 1 126 . 1 . 1 80 80 GLY N N 15 108.791 . . . . . . . . 119 G N . 28027 1 127 . 1 . 1 81 81 ASP H H 1 8.199 . . . . . . . . 120 D HN . 28027 1 128 . 1 . 1 81 81 ASP N N 15 120.331 . . . . . . . . 120 D N . 28027 1 129 . 1 . 1 82 82 ARG H H 1 8.248 . . . . . . . . 121 R HN . 28027 1 130 . 1 . 1 82 82 ARG N N 15 120.821 . . . . . . . . 121 R N . 28027 1 131 . 1 . 1 83 83 GLY H H 1 8.251 . . . . . . . . 122 G HN . 28027 1 132 . 1 . 1 83 83 GLY N N 15 108.828 . . . . . . . . 122 G N . 28027 1 133 . 1 . 1 84 84 TYR H H 1 8.016 . . . . . . . . 123 Y HN . 28027 1 134 . 1 . 1 84 84 TYR N N 15 119.980 . . . . . . . . 123 Y N . 28027 1 135 . 1 . 1 85 85 GLY H H 1 8.371 . . . . . . . . 124 G HN . 28027 1 136 . 1 . 1 85 85 GLY N N 15 111.072 . . . . . . . . 124 G N . 28027 1 137 . 1 . 1 86 86 GLY H H 1 7.849 . . . . . . . . 125 G HN . 28027 1 138 . 1 . 1 86 86 GLY N N 15 108.220 . . . . . . . . 125 G N . 28027 1 139 . 1 . 1 87 87 ASN H H 1 8.237 . . . . . . . . 126 N HN . 28027 1 140 . 1 . 1 87 87 ASN N N 15 118.414 . . . . . . . . 126 N N . 28027 1 141 . 1 . 1 88 88 ARG H H 1 8.178 . . . . . . . . 127 R HN . 28027 1 142 . 1 . 1 88 88 ARG N N 15 121.076 . . . . . . . . 127 R N . 28027 1 143 . 1 . 1 89 89 PHE H H 1 8.153 . . . . . . . . 128 F HN . 28027 1 144 . 1 . 1 89 89 PHE N N 15 120.340 . . . . . . . . 128 F N . 28027 1 145 . 1 . 1 90 90 GLU H H 1 8.166 . . . . . . . . 129 E HN . 28027 1 146 . 1 . 1 90 90 GLU N N 15 122.005 . . . . . . . . 129 E N . 28027 1 147 . 1 . 1 91 91 SER H H 1 8.226 . . . . . . . . 130 S HN . 28027 1 148 . 1 . 1 91 91 SER N N 15 116.875 . . . . . . . . 130 S N . 28027 1 149 . 1 . 1 92 92 ARG H H 1 8.337 . . . . . . . . 131 R HN . 28027 1 150 . 1 . 1 92 92 ARG N N 15 122.995 . . . . . . . . 131 R N . 28027 1 151 . 1 . 1 93 93 SER H H 1 8.277 . . . . . . . . 132 S HN . 28027 1 152 . 1 . 1 93 93 SER N N 15 116.607 . . . . . . . . 132 S N . 28027 1 153 . 1 . 1 94 94 GLY H H 1 8.327 . . . . . . . . 133 G HN . 28027 1 154 . 1 . 1 94 94 GLY N N 15 110.822 . . . . . . . . 133 G N . 28027 1 155 . 1 . 1 95 95 GLY H H 1 8.107 . . . . . . . . 134 G HN . 28027 1 156 . 1 . 1 95 95 GLY N N 15 108.365 . . . . . . . . 134 G N . 28027 1 157 . 1 . 1 96 96 TYR H H 1 8.085 . . . . . . . . 135 Y HN . 28027 1 158 . 1 . 1 96 96 TYR N N 15 120.193 . . . . . . . . 135 Y N . 28027 1 159 . 1 . 1 97 97 GLY H H 1 8.324 . . . . . . . . 136 G HN . 28027 1 160 . 1 . 1 97 97 GLY N N 15 111.706 . . . . . . . . 136 G N . 28027 1 161 . 1 . 1 98 98 GLY H H 1 7.486 . . . . . . . . 137 G HN . 28027 1 162 . 1 . 1 98 98 GLY N N 15 114.795 . . . . . . . . 137 G N . 28027 1 stop_ save_