################################### # 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 10133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Ref_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 '1H15N HSQC' 1 $sample_1 isotropic 10133 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 ASP H H 1 9.46 0.02 . 1 . . . . 2 ASP H . 10133 1 2 . 1 1 2 2 ASP N N 15 126.6 0.05 . 1 . . . . 2 ASP N . 10133 1 3 . 1 1 4 4 GLU H H 1 8.233 0.02 . 1 . . . . 4 GLU H . 10133 1 4 . 1 1 4 4 GLU N N 15 116.716 0.05 . 1 . . . . 4 GLU N . 10133 1 5 . 1 1 5 5 VAL H H 1 7.046 0.02 . 1 . . . . 5 VAL H . 10133 1 6 . 1 1 5 5 VAL N N 15 120.666 0.05 . 1 . . . . 5 VAL N . 10133 1 7 . 1 1 6 6 LEU H H 1 7.575 0.02 . 1 . . . . 6 LEU H . 10133 1 8 . 1 1 6 6 LEU N N 15 121.006 0.05 . 1 . . . . 6 LEU N . 10133 1 9 . 1 1 7 7 PHE H H 1 8.433 0.02 . 1 . . . . 7 PHE H . 10133 1 10 . 1 1 7 7 PHE N N 15 119.738 0.05 . 1 . . . . 7 PHE N . 10133 1 11 . 1 1 8 8 LYS H H 1 6.939 0.02 . 1 . . . . 8 LYS H . 10133 1 12 . 1 1 8 8 LYS N N 15 114.628 0.05 . 1 . . . . 8 LYS N . 10133 1 13 . 1 1 9 9 ASN H H 1 8.854 0.02 . 1 . . . . 9 ASN H . 10133 1 14 . 1 1 9 9 ASN N N 15 119.738 0.05 . 1 . . . . 9 ASN N . 10133 1 15 . 1 1 10 10 LYS H H 1 9.033 0.02 . 1 . . . . 10 LYS H . 10133 1 16 . 1 1 10 10 LYS N N 15 116.289 0.05 . 1 . . . . 10 LYS N . 10133 1 17 . 1 1 11 11 GLY H H 1 7.938 0.02 . 1 . . . . 11 GLY H . 10133 1 18 . 1 1 11 11 GLY N N 15 106.372 0.05 . 1 . . . . 11 GLY N . 10133 1 19 . 1 1 12 12 CYS H H 1 8.527 0.02 . 1 . . . . 12 CYS H . 10133 1 20 . 1 1 12 12 CYS N N 15 121.346 0.05 . 1 . . . . 12 CYS N . 10133 1 21 . 1 1 13 13 VAL H H 1 6.642 0.02 . 1 . . . . 13 VAL H . 10133 1 22 . 1 1 13 13 VAL N N 15 114.242 0.05 . 1 . . . . 13 VAL N . 10133 1 23 . 1 1 14 14 ALA H H 1 7.378 0.02 . 1 . . . . 14 ALA H . 10133 1 24 . 1 1 14 14 ALA N N 15 122.804 0.05 . 1 . . . . 14 ALA N . 10133 1 25 . 1 1 15 15 CYS H H 1 6.942 0.02 . 1 . . . . 15 CYS H . 10133 1 26 . 1 1 15 15 CYS N N 15 110.949 0.05 . 1 . . . . 15 CYS N . 10133 1 27 . 1 1 16 16 HIS H H 1 6.806 0.02 . 1 . . . . 16 HIS H . 10133 1 28 . 1 1 16 16 HIS N N 15 118.42 0.05 . 1 . . . . 16 HIS N . 10133 1 29 . 1 1 17 17 ALA H H 1 7.74 0.02 . 1 . . . . 17 ALA H . 10133 1 30 . 1 1 17 17 ALA N N 15 120.883 0.05 . 1 . . . . 17 ALA N . 10133 1 31 . 1 1 18 18 ILE H H 1 8.366 0.02 . 1 . . . . 18 ILE H . 10133 1 32 . 1 1 18 18 ILE N N 15 118.26 0.05 . 1 . . . . 18 ILE N . 10133 1 33 . 1 1 19 19 ASP H H 1 8.055 0.02 . 1 . . . . 19 ASP H . 10133 1 34 . 1 1 19 19 ASP N N 15 112.278 0.05 . 1 . . . . 19 ASP N . 10133 1 35 . 1 1 20 20 THR H H 1 6.509 0.02 . 1 . . . . 20 THR H . 10133 1 36 . 1 1 20 20 THR N N 15 111.977 0.05 . 1 . . . . 20 THR N . 10133 1 37 . 1 1 21 21 LYS H H 1 8.477 0.02 . 1 . . . . 21 LYS H . 10133 1 38 . 1 1 21 21 LYS N N 15 127.357 0.05 . 1 . . . . 21 LYS N . 10133 1 39 . 1 1 22 22 MET H H 1 7.358 0.02 . 1 . . . . 22 MET H . 10133 1 40 . 1 1 22 22 MET N N 15 130.093 0.05 . 1 . . . . 22 MET N . 10133 1 41 . 1 1 23 23 VAL H H 1 6.971 0.02 . 1 . . . . 23 VAL H . 10133 1 42 . 1 1 23 23 VAL N N 15 123.955 0.05 . 1 . . . . 23 VAL N . 10133 1 43 . 1 1 24 24 GLY H H 1 6.688 0.02 . 1 . . . . 24 GLY H . 10133 1 44 . 1 1 24 24 GLY N N 15 103.988 0.05 . 1 . . . . 24 GLY N . 10133 1 45 . 1 1 26 26 ALA H H 1 8.531 0.02 . 1 . . . . 26 ALA H . 10133 1 46 . 1 1 26 26 ALA N N 15 123.955 0.05 . 1 . . . . 26 ALA N . 10133 1 47 . 1 1 27 27 TYR H H 1 7.637 0.02 . 1 . . . . 27 TYR H . 10133 1 48 . 1 1 27 27 TYR N N 15 123.589 0.05 . 1 . . . . 27 TYR N . 10133 1 49 . 1 1 28 28 LYS H H 1 8.934 0.02 . 1 . . . . 28 LYS H . 10133 1 50 . 1 1 28 28 LYS N N 15 118.075 0.05 . 1 . . . . 28 LYS N . 10133 1 51 . 1 1 29 29 ASP H H 1 6.798 0.02 . 1 . . . . 29 ASP H . 10133 1 52 . 1 1 29 29 ASP N N 15 120.317 0.05 . 1 . . . . 29 ASP N . 10133 1 53 . 1 1 30 30 VAL H H 1 7.627 0.02 . 1 . . . . 30 VAL H . 10133 1 54 . 1 1 30 30 VAL N N 15 123.392 0.05 . 1 . . . . 30 VAL N . 10133 1 55 . 1 1 31 31 ALA H H 1 8.663 0.02 . 1 . . . . 31 ALA H . 10133 1 56 . 1 1 31 31 ALA N N 15 121.652 0.05 . 1 . . . . 31 ALA N . 10133 1 57 . 1 1 32 32 ALA H H 1 7.634 0.02 . 1 . . . . 32 LYS H . 10133 1 58 . 1 1 32 32 ALA N N 15 118.279 0.05 . 1 . . . . 32 LYS N . 10133 1 59 . 1 1 33 33 LYS H H 1 7.865 0.02 . 1 . . . . 33 LYS H . 10133 1 60 . 1 1 33 33 LYS N N 15 119.269 0.05 . 1 . . . . 33 LYS N . 10133 1 61 . 1 1 34 34 PHE H H 1 7.718 0.02 . 1 . . . . 34 PHE H . 10133 1 62 . 1 1 34 34 PHE N N 15 114.503 0.05 . 1 . . . . 34 PHE N . 10133 1 63 . 1 1 35 35 ALA H H 1 7.843 0.02 . 1 . . . . 35 ALA H . 10133 1 64 . 1 1 35 35 ALA N N 15 124.175 0.05 . 1 . . . . 35 ALA N . 10133 1 65 . 1 1 36 36 GLY H H 1 8.952 0.02 . 1 . . . . 36 GLY H . 10133 1 66 . 1 1 36 36 GLY N N 15 111.225 0.05 . 1 . . . . 36 GLY N . 10133 1 67 . 1 1 37 37 GLN H H 1 7.915 0.02 . 1 . . . . 37 GLN H . 10133 1 68 . 1 1 37 37 GLN N N 15 123.429 0.05 . 1 . . . . 37 GLN N . 10133 1 69 . 1 1 38 38 ALA H H 1 8.998 0.02 . 1 . . . . 38 ALA H . 10133 1 70 . 1 1 38 38 ALA N N 15 131.626 0.05 . 1 . . . . 38 ALA N . 10133 1 71 . 1 1 39 39 GLY H H 1 9.164 0.02 . 1 . . . . 39 GLY H . 10133 1 72 . 1 1 39 39 GLY N N 15 110.97 0.05 . 1 . . . . 39 GLY N . 10133 1 73 . 1 1 40 40 ALA H H 1 7.715 0.02 . 1 . . . . 40 ALA H . 10133 1 74 . 1 1 40 40 ALA N N 15 123.429 0.05 . 1 . . . . 40 ALA N . 10133 1 75 . 1 1 41 41 GLU H H 1 8.884 0.02 . 1 . . . . 41 GLU H . 10133 1 76 . 1 1 41 41 GLU N N 15 118.471 0.05 . 1 . . . . 41 GLU N . 10133 1 77 . 1 1 42 42 ALA H H 1 7.889 0.02 . 1 . . . . 42 ALA H . 10133 1 78 . 1 1 42 42 ALA N N 15 121.427 0.05 . 1 . . . . 42 ALA N . 10133 1 79 . 1 1 43 43 GLU H H 1 7.83 0.02 . 1 . . . . 43 GLU H . 10133 1 80 . 1 1 43 43 GLU N N 15 120.299 0.05 . 1 . . . . 43 GLU N . 10133 1 81 . 1 1 44 44 LEU H H 1 8.705 0.02 . 1 . . . . 44 LEU H . 10133 1 82 . 1 1 44 44 LEU N N 15 118.157 0.05 . 1 . . . . 44 LEU N . 10133 1 83 . 1 1 45 45 ALA H H 1 8.373 0.02 . 1 . . . . 45 ALA H . 10133 1 84 . 1 1 45 45 ALA N N 15 121.696 0.05 . 1 . . . . 45 ALA N . 10133 1 85 . 1 1 46 46 GLN H H 1 7.457 0.02 . 1 . . . . 46 GLN H . 10133 1 86 . 1 1 46 46 GLN N N 15 116.373 0.05 . 1 . . . . 46 GLN N . 10133 1 87 . 1 1 47 47 ARG H H 1 7.743 0.02 . 1 . . . . 47 ARG H . 10133 1 88 . 1 1 47 47 ARG N N 15 120.322 0.05 . 1 . . . . 47 ARG N . 10133 1 89 . 1 1 48 48 ILE H H 1 8.221 0.02 . 1 . . . . 48 ILE H . 10133 1 90 . 1 1 48 48 ILE N N 15 119.362 0.05 . 1 . . . . 48 ILE N . 10133 1 91 . 1 1 49 49 LYS H H 1 7.184 0.02 . 1 . . . . 49 LYS H . 10133 1 92 . 1 1 49 49 LYS N N 15 116.839 0.05 . 1 . . . . 49 LYS N . 10133 1 93 . 1 1 50 50 ASN H H 1 8.137 0.02 . 1 . . . . 50 ASN H . 10133 1 94 . 1 1 50 50 ASN N N 15 112.139 0.05 . 1 . . . . 50 ASN N . 10133 1 95 . 1 1 51 51 GLY H H 1 7.463 0.02 . 1 . . . . 51 GLY H . 10133 1 96 . 1 1 51 51 GLY N N 15 111.548 0.05 . 1 . . . . 51 GLY N . 10133 1 97 . 1 1 52 52 SER H H 1 7.212 0.02 . 1 . . . . 52 SER H . 10133 1 98 . 1 1 52 52 SER N N 15 109.357 0.05 . 1 . . . . 52 SER N . 10133 1 99 . 1 1 53 53 GLN H H 1 7.969 0.02 . 1 . . . . 53 GLN H . 10133 1 100 . 1 1 53 53 GLN N N 15 126.115 0.05 . 1 . . . . 53 GLN N . 10133 1 101 . 1 1 54 54 GLY H H 1 8.415 0.02 . 1 . . . . 54 GLY H . 10133 1 102 . 1 1 54 54 GLY N N 15 111.564 0.05 . 1 . . . . 54 GLY N . 10133 1 103 . 1 1 55 55 VAL H H 1 10.457 0.02 . 1 . . . . 55 VAL H . 10133 1 104 . 1 1 55 55 VAL N N 15 128.759 0.05 . 1 . . . . 55 VAL N . 10133 1 105 . 1 1 56 56 TRP H H 1 10.768 0.02 . 1 . . . . 56 TRP H . 10133 1 106 . 1 1 56 56 TRP N N 15 122.284 0.05 . 1 . . . . 56 TRP N . 10133 1 107 . 1 1 57 57 GLY H H 1 7.985 0.02 . 1 . . . . 57 GLY H . 10133 1 108 . 1 1 57 57 GLY N N 15 110.273 0.05 . 1 . . . . 57 GLY N . 10133 1 109 . 1 1 59 59 ILE H H 1 7.515 0.02 . 1 . . . . 59 ILE H . 10133 1 110 . 1 1 59 59 ILE N N 15 123.47 0.05 . 1 . . . . 59 ILE N . 10133 1 111 . 1 1 61 61 MET H H 1 8.797 0.02 . 1 . . . . 61 MET H . 10133 1 112 . 1 1 61 61 MET N N 15 121.241 0.05 . 1 . . . . 61 MET N . 10133 1 113 . 1 1 64 64 ASN H H 1 6.953 0.02 . 1 . . . . 64 ASN H . 10133 1 114 . 1 1 64 64 ASN N N 15 118.21 0.05 . 1 . . . . 64 ASN N . 10133 1 115 . 1 1 65 65 ALA H H 1 8.82 0.02 . 1 . . . . 65 ALA H . 10133 1 116 . 1 1 65 65 ALA N N 15 128.541 0.05 . 1 . . . . 65 ALA N . 10133 1 117 . 1 1 66 66 VAL H H 1 7.824 0.02 . 1 . . . . 66 VAL H . 10133 1 118 . 1 1 66 66 VAL N N 15 114.12 0.05 . 1 . . . . 66 VAL N . 10133 1 119 . 1 1 67 67 SER H H 1 8.98 0.02 . 1 . . . . 67 SER H . 10133 1 120 . 1 1 67 67 SER N N 15 121.814 0.05 . 1 . . . . 67 SER N . 10133 1 121 . 1 1 68 68 ASP H H 1 9.266 0.02 . 1 . . . . 68 ASP H . 10133 1 122 . 1 1 68 68 ASP N N 15 119.534 0.05 . 1 . . . . 68 ASP N . 10133 1 123 . 1 1 69 69 ASP H H 1 8.466 0.02 . 1 . . . . 69 ASP H . 10133 1 124 . 1 1 69 69 ASP N N 15 119.554 0.05 . 1 . . . . 69 ASP N . 10133 1 125 . 1 1 70 70 GLU H H 1 7.942 0.02 . 1 . . . . 70 GLU H . 10133 1 126 . 1 1 70 70 GLU N N 15 120.802 0.05 . 1 . . . . 70 GLU N . 10133 1 127 . 1 1 71 71 ALA H H 1 8.866 0.02 . 1 . . . . 71 ALA H . 10133 1 128 . 1 1 71 71 ALA N N 15 122.019 0.05 . 1 . . . . 71 ALA N . 10133 1 129 . 1 1 72 72 GLN H H 1 8.163 0.02 . 1 . . . . 72 GLN H . 10133 1 130 . 1 1 72 72 GLN N N 15 118.176 0.05 . 1 . . . . 72 GLN N . 10133 1 131 . 1 1 73 73 THR H H 1 8.288 0.02 . 1 . . . . 73 THR H . 10133 1 132 . 1 1 73 73 THR N N 15 118.674 0.05 . 1 . . . . 73 THR N . 10133 1 133 . 1 1 74 74 LEU H H 1 8.642 0.02 . 1 . . . . 74 LEU H . 10133 1 134 . 1 1 74 74 LEU N N 15 122.901 0.05 . 1 . . . . 74 LEU N . 10133 1 135 . 1 1 75 75 ALA H H 1 8.865 0.02 . 1 . . . . 75 ALA H . 10133 1 136 . 1 1 75 75 ALA N N 15 123.574 0.05 . 1 . . . . 75 ALA N . 10133 1 137 . 1 1 76 76 LYS H H 1 8.344 0.02 . 1 . . . . 76 LYS H . 10133 1 138 . 1 1 76 76 LYS N N 15 117.054 0.05 . 1 . . . . 76 LYS N . 10133 1 139 . 1 1 77 77 TRP H H 1 7.883 0.02 . 1 . . . . 77 TRP H . 10133 1 140 . 1 1 77 77 TRP N N 15 121.403 0.05 . 1 . . . . 77 TRP N . 10133 1 141 . 1 1 78 78 VAL H H 1 9.235 0.02 . 1 . . . . 78 VAL H . 10133 1 142 . 1 1 78 78 VAL N N 15 124.697 0.05 . 1 . . . . 78 VAL N . 10133 1 143 . 1 1 79 79 LEU H H 1 7.802 0.02 . 1 . . . . 79 LEU H . 10133 1 144 . 1 1 79 79 LEU N N 15 115.249 0.05 . 1 . . . . 79 LEU N . 10133 1 145 . 1 1 80 80 SER H H 1 7.513 0.02 . 1 . . . . 80 SER H . 10133 1 146 . 1 1 80 80 SER N N 15 114.094 0.05 . 1 . . . . 80 SER N . 10133 1 147 . 1 1 81 81 GLN H H 1 7.214 0.02 . 1 . . . . 81 GLN H . 10133 1 148 . 1 1 81 81 GLN N N 15 121.677 0.05 . 1 . . . . 81 GLN N . 10133 1 149 . 1 1 82 82 LYS H H 1 7.494 0.02 . 1 . . . . 82 LYS H . 10133 1 150 . 1 1 82 82 LYS N N 15 126.017 0.05 . 1 . . . . 82 LYS N . 10133 1 stop_ save_