################################### # 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 25181 _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 . _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' . . . 25181 1 4 '3D HNCA' . . . 25181 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 ALA CA C 13 51.530 . . . . . . A 1 ALA CA . 25181 1 2 . 1 1 2 2 LEU H H 1 8.866 . . . . . . A 2 LEU H . 25181 1 3 . 1 1 2 2 LEU CA C 13 55.740 . . . . . . A 2 LEU CA . 25181 1 4 . 1 1 2 2 LEU N N 15 121.238 . . . . . . A 2 LEU N . 25181 1 5 . 1 1 3 3 GLU H H 1 8.812 . . . . . . A 3 GLU H . 25181 1 6 . 1 1 3 3 GLU CA C 13 56.800 . . . . . . A 3 GLU CA . 25181 1 7 . 1 1 3 3 GLU N N 15 119.669 . . . . . . A 3 GLU N . 25181 1 8 . 1 1 4 4 ASN H H 1 8.318 . . . . . . A 4 ASN H . 25181 1 9 . 1 1 4 4 ASN CA C 13 53.610 . . . . . . A 4 ASN CA . 25181 1 10 . 1 1 4 4 ASN N N 15 117.251 . . . . . . A 4 ASN N . 25181 1 11 . 1 1 5 5 LEU H H 1 8.104 . . . . . . A 5 LEU H . 25181 1 12 . 1 1 5 5 LEU CA C 13 55.880 . . . . . . A 5 LEU CA . 25181 1 13 . 1 1 5 5 LEU N N 15 120.686 . . . . . . A 5 LEU N . 25181 1 14 . 1 1 6 6 VAL H H 1 7.955 . . . . . . A 6 VAL H . 25181 1 15 . 1 1 6 6 VAL CA C 13 63.560 . . . . . . A 6 VAL CA . 25181 1 16 . 1 1 6 6 VAL N N 15 118.674 . . . . . . A 6 VAL N . 25181 1 17 . 1 1 7 7 VAL H H 1 7.929 . . . . . . A 7 VAL H . 25181 1 18 . 1 1 7 7 VAL CA C 13 63.330 . . . . . . A 7 VAL CA . 25181 1 19 . 1 1 7 7 VAL N N 15 120.217 . . . . . . A 7 VAL N . 25181 1 20 . 1 1 8 8 LEU H H 1 8.060 . . . . . . A 8 LEU H . 25181 1 21 . 1 1 8 8 LEU CA C 13 55.510 . . . . . . A 8 LEU CA . 25181 1 22 . 1 1 8 8 LEU N N 15 121.924 . . . . . . A 8 LEU N . 25181 1 23 . 1 1 9 9 ASN H H 1 8.256 . . . . . . A 9 ASN H . 25181 1 24 . 1 1 9 9 ASN CA C 13 53.560 . . . . . . A 9 ASN CA . 25181 1 25 . 1 1 9 9 ASN N N 15 118.024 . . . . . . A 9 ASN N . 25181 1 26 . 1 1 10 10 ALA H H 1 8.372 . . . . . . A 10 ALA H . 25181 1 27 . 1 1 10 10 ALA CA C 13 53.330 . . . . . . A 10 ALA CA . 25181 1 28 . 1 1 10 10 ALA N N 15 123.164 . . . . . . A 10 ALA N . 25181 1 29 . 1 1 11 11 ALA H H 1 8.272 . . . . . . A 11 ALA H . 25181 1 30 . 1 1 11 11 ALA CA C 13 53.420 . . . . . . A 11 ALA CA . 25181 1 31 . 1 1 11 11 ALA N N 15 119.814 . . . . . . A 11 ALA N . 25181 1 32 . 1 1 12 12 SER H H 1 8.090 . . . . . . A 12 SER H . 25181 1 33 . 1 1 12 12 SER CA C 13 60.400 . . . . . . A 12 SER CA . 25181 1 34 . 1 1 12 12 SER N N 15 113.158 . . . . . . A 12 SER N . 25181 1 35 . 1 1 13 13 VAL H H 1 7.946 . . . . . . A 13 VAL H . 25181 1 36 . 1 1 13 13 VAL CA C 13 63.380 . . . . . . A 13 VAL CA . 25181 1 37 . 1 1 13 13 VAL N N 15 119.626 . . . . . . A 13 VAL N . 25181 1 38 . 1 1 14 14 ALA H H 1 8.189 . . . . . . A 14 ALA H . 25181 1 39 . 1 1 14 14 ALA CA C 13 53.150 . . . . . . A 14 ALA CA . 25181 1 40 . 1 1 14 14 ALA N N 15 123.520 . . . . . . A 14 ALA N . 25181 1 41 . 1 1 15 15 GLY H H 1 8.290 . . . . . . A 15 GLY H . 25181 1 42 . 1 1 15 15 GLY CA C 13 45.230 . . . . . . A 15 GLY CA . 25181 1 43 . 1 1 15 15 GLY N N 15 106.080 . . . . . . A 15 GLY N . 25181 1 44 . 1 1 16 16 ALA H H 1 8.343 . . . . . . A 16 ALA H . 25181 1 45 . 1 1 16 16 ALA CA C 13 53.280 . . . . . . A 16 ALA CA . 25181 1 46 . 1 1 16 16 ALA N N 15 123.019 . . . . . . A 16 ALA N . 25181 1 47 . 1 1 17 17 HIS H H 1 8.626 . . . . . . A 17 HIS H . 25181 1 48 . 1 1 17 17 HIS CA C 13 57.080 . . . . . . A 17 HIS CA . 25181 1 49 . 1 1 17 17 HIS N N 15 115.511 . . . . . . A 17 HIS N . 25181 1 50 . 1 1 18 18 GLY H H 1 8.542 . . . . . . A 18 GLY H . 25181 1 51 . 1 1 18 18 GLY CA C 13 46.480 . . . . . . A 18 GLY CA . 25181 1 52 . 1 1 18 18 GLY N N 15 109.241 . . . . . . A 18 GLY N . 25181 1 53 . 1 1 19 19 ILE H H 1 8.379 . . . . . . A 19 ILE H . 25181 1 54 . 1 1 19 19 ILE CA C 13 63.560 . . . . . . A 19 ILE CA . 25181 1 55 . 1 1 19 19 ILE N N 15 120.602 . . . . . . A 19 ILE N . 25181 1 56 . 1 1 20 20 LEU H H 1 8.447 . . . . . . A 20 LEU H . 25181 1 57 . 1 1 20 20 LEU CA C 13 58.100 . . . . . . A 20 LEU CA . 25181 1 58 . 1 1 20 20 LEU N N 15 120.271 . . . . . . A 20 LEU N . 25181 1 59 . 1 1 21 21 SER H H 1 8.288 . . . . . . A 21 SER H . 25181 1 60 . 1 1 21 21 SER CA C 13 62.360 . . . . . . A 21 SER CA . 25181 1 61 . 1 1 21 21 SER N N 15 114.238 . . . . . . A 21 SER N . 25181 1 62 . 1 1 22 22 PHE H H 1 8.199 . . . . . . A 22 PHE H . 25181 1 63 . 1 1 22 22 PHE CA C 13 61.670 . . . . . . A 22 PHE CA . 25181 1 64 . 1 1 22 22 PHE N N 15 120.907 . . . . . . A 22 PHE N . 25181 1 65 . 1 1 23 23 LEU H H 1 8.613 . . . . . . A 23 LEU H . 25181 1 66 . 1 1 23 23 LEU CA C 13 57.960 . . . . . . A 23 LEU CA . 25181 1 67 . 1 1 23 23 LEU N N 15 118.536 . . . . . . A 23 LEU N . 25181 1 68 . 1 1 24 24 VAL H H 1 8.651 . . . . . . A 24 VAL H . 25181 1 69 . 1 1 24 24 VAL CA C 13 66.990 . . . . . . A 24 VAL CA . 25181 1 70 . 1 1 24 24 VAL N N 15 120.897 . . . . . . A 24 VAL N . 25181 1 71 . 1 1 25 25 PHE H H 1 8.372 . . . . . . A 25 PHE H . 25181 1 72 . 1 1 25 25 PHE CA C 13 61.620 . . . . . . A 25 PHE CA . 25181 1 73 . 1 1 25 25 PHE N N 15 119.495 . . . . . . A 25 PHE N . 25181 1 74 . 1 1 26 26 PHE H H 1 8.990 . . . . . . A 26 PHE H . 25181 1 75 . 1 1 26 26 PHE CA C 13 61.480 . . . . . . A 26 PHE CA . 25181 1 76 . 1 1 26 26 PHE N N 15 117.500 . . . . . . A 26 PHE N . 25181 1 77 . 1 1 27 27 SER H H 1 8.332 . . . . . . A 27 SER H . 25181 1 78 . 1 1 27 27 SER CA C 13 62.680 . . . . . . A 27 SER CA . 25181 1 79 . 1 1 27 27 SER N N 15 114.828 . . . . . . A 27 SER N . 25181 1 80 . 1 1 28 28 ALA H H 1 8.370 . . . . . . A 28 ALA H . 25181 1 81 . 1 1 28 28 ALA CA C 13 54.860 . . . . . . A 28 ALA CA . 25181 1 82 . 1 1 28 28 ALA N N 15 123.714 . . . . . . A 28 ALA N . 25181 1 83 . 1 1 29 29 ALA H H 1 8.309 . . . . . . A 29 ALA H . 25181 1 84 . 1 1 29 29 ALA CA C 13 54.530 . . . . . . A 29 ALA CA . 25181 1 85 . 1 1 29 29 ALA N N 15 119.273 . . . . . . A 29 ALA N . 25181 1 86 . 1 1 30 30 TRP H H 1 8.493 . . . . . . A 30 TRP H . 25181 1 87 . 1 1 30 30 TRP CA C 13 60.280 . . . . . . A 30 TRP CA . 25181 1 88 . 1 1 30 30 TRP N N 15 118.586 . . . . . . A 30 TRP N . 25181 1 89 . 1 1 31 31 TYR H H 1 8.448 . . . . . . A 31 TYR H . 25181 1 90 . 1 1 31 31 TYR CA C 13 61.110 . . . . . . A 31 TYR CA . 25181 1 91 . 1 1 31 31 TYR N N 15 119.618 . . . . . . A 31 TYR N . 25181 1 92 . 1 1 32 32 ILE H H 1 8.398 . . . . . . A 32 ILE H . 25181 1 93 . 1 1 32 32 ILE CA C 13 64.120 . . . . . . A 32 ILE CA . 25181 1 94 . 1 1 32 32 ILE N N 15 117.717 . . . . . . A 32 ILE N . 25181 1 95 . 1 1 33 33 LYS H H 1 8.170 . . . . . . A 33 LYS H . 25181 1 96 . 1 1 33 33 LYS CA C 13 58.290 . . . . . . A 33 LYS CA . 25181 1 97 . 1 1 33 33 LYS N N 15 119.439 . . . . . . A 33 LYS N . 25181 1 98 . 1 1 34 34 GLY H H 1 7.886 . . . . . . A 34 GLY H . 25181 1 99 . 1 1 34 34 GLY CA C 13 45.460 . . . . . . A 34 GLY CA . 25181 1 100 . 1 1 34 34 GLY N N 15 105.462 . . . . . . A 34 GLY N . 25181 1 101 . 1 1 35 35 ARG H H 1 7.702 . . . . . . A 35 ARG H . 25181 1 102 . 1 1 35 35 ARG CA C 13 55.460 . . . . . . A 35 ARG CA . 25181 1 103 . 1 1 35 35 ARG N N 15 118.092 . . . . . . A 35 ARG N . 25181 1 104 . 1 1 36 36 LEU H H 1 7.676 . . . . . . A 36 LEU H . 25181 1 105 . 1 1 36 36 LEU CA C 13 54.400 . . . . . . A 36 LEU CA . 25181 1 106 . 1 1 36 36 LEU N N 15 119.012 . . . . . . A 36 LEU N . 25181 1 107 . 1 1 37 37 ALA H H 1 8.133 . . . . . . A 37 ALA H . 25181 1 108 . 1 1 37 37 ALA CA C 13 50.140 . . . . . . A 37 ALA CA . 25181 1 109 . 1 1 37 37 ALA N N 15 124.067 . . . . . . A 37 ALA N . 25181 1 110 . 1 1 39 39 GLY H H 1 8.582 . . . . . . A 39 GLY H . 25181 1 111 . 1 1 39 39 GLY CA C 13 45.230 . . . . . . A 39 GLY CA . 25181 1 112 . 1 1 39 39 GLY N N 15 108.143 . . . . . . A 39 GLY N . 25181 1 113 . 1 1 40 40 ALA H H 1 8.007 . . . . . . A 40 ALA H . 25181 1 114 . 1 1 40 40 ALA CA C 13 52.500 . . . . . . A 40 ALA CA . 25181 1 115 . 1 1 40 40 ALA N N 15 123.368 . . . . . . A 40 ALA N . 25181 1 116 . 1 1 41 41 ALA H H 1 8.330 . . . . . . A 41 ALA H . 25181 1 117 . 1 1 41 41 ALA CA C 13 53.190 . . . . . . A 41 ALA CA . 25181 1 118 . 1 1 41 41 ALA N N 15 121.434 . . . . . . A 41 ALA N . 25181 1 119 . 1 1 42 42 TYR H H 1 7.939 . . . . . . A 42 TYR H . 25181 1 120 . 1 1 42 42 TYR CA C 13 58.380 . . . . . . A 42 TYR CA . 25181 1 121 . 1 1 42 42 TYR N N 15 116.666 . . . . . . A 42 TYR N . 25181 1 122 . 1 1 43 43 ALA H H 1 8.029 . . . . . . A 43 ALA H . 25181 1 123 . 1 1 43 43 ALA CA C 13 53.150 . . . . . . A 43 ALA CA . 25181 1 124 . 1 1 43 43 ALA N N 15 122.521 . . . . . . A 43 ALA N . 25181 1 125 . 1 1 44 44 PHE H H 1 8.071 . . . . . . A 44 PHE H . 25181 1 126 . 1 1 44 44 PHE CA C 13 58.790 . . . . . . A 44 PHE CA . 25181 1 127 . 1 1 44 44 PHE N N 15 116.483 . . . . . . A 44 PHE N . 25181 1 128 . 1 1 45 45 TYR H H 1 7.986 . . . . . . A 45 TYR H . 25181 1 129 . 1 1 45 45 TYR CA C 13 59.070 . . . . . . A 45 TYR CA . 25181 1 130 . 1 1 45 45 TYR N N 15 117.436 . . . . . . A 45 TYR N . 25181 1 131 . 1 1 46 46 GLY H H 1 8.072 . . . . . . A 46 GLY H . 25181 1 132 . 1 1 46 46 GLY CA C 13 45.460 . . . . . . A 46 GLY CA . 25181 1 133 . 1 1 46 46 GLY N N 15 105.143 . . . . . . A 46 GLY N . 25181 1 134 . 1 1 47 47 VAL H H 1 7.914 . . . . . . A 47 VAL H . 25181 1 135 . 1 1 47 47 VAL CA C 13 62.820 . . . . . . A 47 VAL CA . 25181 1 136 . 1 1 47 47 VAL N N 15 114.672 . . . . . . A 47 VAL N . 25181 1 137 . 1 1 48 48 TRP H H 1 8.047 . . . . . . A 48 TRP H . 25181 1 138 . 1 1 48 48 TRP CA C 13 61.900 . . . . . . A 48 TRP CA . 25181 1 139 . 1 1 48 48 TRP N N 15 120.754 . . . . . . A 48 TRP N . 25181 1 140 . 1 1 49 49 PRO CA C 13 65.830 . . . . . . A 49 PRO CA . 25181 1 141 . 1 1 50 50 LEU H H 1 7.205 . . . . . . A 50 LEU H . 25181 1 142 . 1 1 50 50 LEU CA C 13 57.680 . . . . . . A 50 LEU CA . 25181 1 143 . 1 1 50 50 LEU N N 15 113.896 . . . . . . A 50 LEU N . 25181 1 144 . 1 1 51 51 LEU H H 1 8.005 . . . . . . A 51 LEU H . 25181 1 145 . 1 1 51 51 LEU CA C 13 57.620 . . . . . . A 51 LEU CA . 25181 1 146 . 1 1 51 51 LEU N N 15 117.594 . . . . . . A 51 LEU N . 25181 1 147 . 1 1 52 52 LEU H H 1 7.992 . . . . . . A 52 LEU H . 25181 1 148 . 1 1 52 52 LEU CA C 13 57.580 . . . . . . A 52 LEU CA . 25181 1 149 . 1 1 52 52 LEU N N 15 116.078 . . . . . . A 52 LEU N . 25181 1 150 . 1 1 53 53 LEU H H 1 7.719 . . . . . . A 53 LEU H . 25181 1 151 . 1 1 53 53 LEU CA C 13 56.750 . . . . . . A 53 LEU CA . 25181 1 152 . 1 1 53 53 LEU N N 15 117.006 . . . . . . A 53 LEU N . 25181 1 153 . 1 1 54 54 LEU H H 1 7.957 . . . . . . A 54 LEU H . 25181 1 154 . 1 1 54 54 LEU CA C 13 57.500 . . . . . . A 54 LEU CA . 25181 1 155 . 1 1 54 54 LEU N N 15 116.037 . . . . . . A 54 LEU N . 25181 1 156 . 1 1 55 55 LEU H H 1 7.882 . . . . . . A 55 LEU H . 25181 1 157 . 1 1 55 55 LEU CA C 13 56.020 . . . . . . A 55 LEU CA . 25181 1 158 . 1 1 55 55 LEU N N 15 115.858 . . . . . . A 55 LEU N . 25181 1 159 . 1 1 56 56 ALA H H 1 7.828 . . . . . . A 56 ALA H . 25181 1 160 . 1 1 56 56 ALA CA C 13 51.990 . . . . . . A 56 ALA CA . 25181 1 161 . 1 1 56 56 ALA N N 15 119.026 . . . . . . A 56 ALA N . 25181 1 162 . 1 1 57 57 LEU H H 1 7.548 . . . . . . A 57 LEU H . 25181 1 163 . 1 1 57 57 LEU CA C 13 53.330 . . . . . . A 57 LEU CA . 25181 1 164 . 1 1 57 57 LEU N N 15 118.319 . . . . . . A 57 LEU N . 25181 1 165 . 1 1 59 59 PRO CA C 13 63.610 . . . . . . A 59 PRO CA . 25181 1 166 . 1 1 60 60 ARG H H 1 8.170 . . . . . . A 60 ARG H . 25181 1 167 . 1 1 60 60 ARG CA C 13 56.110 . . . . . . A 60 ARG CA . 25181 1 168 . 1 1 60 60 ARG N N 15 117.573 . . . . . . A 60 ARG N . 25181 1 169 . 1 1 61 61 ALA H H 1 8.244 . . . . . . A 61 ALA H . 25181 1 170 . 1 1 61 61 ALA CA C 13 52.450 . . . . . . A 61 ALA CA . 25181 1 171 . 1 1 61 61 ALA N N 15 122.434 . . . . . . A 61 ALA N . 25181 1 172 . 1 1 62 62 TYR H H 1 7.796 . . . . . . A 62 TYR H . 25181 1 173 . 1 1 62 62 TYR CA C 13 56.760 . . . . . . A 62 TYR CA . 25181 1 174 . 1 1 62 62 TYR N N 15 116.252 . . . . . . A 62 TYR N . 25181 1 175 . 1 1 63 63 ALA H H 1 7.776 . . . . . . A 63 ALA H . 25181 1 176 . 1 1 63 63 ALA CA C 13 52.270 . . . . . . A 63 ALA CA . 25181 1 177 . 1 1 63 63 ALA N N 15 127.796 . . . . . . A 63 ALA N . 25181 1 stop_ save_