################################### # 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_Adx_oxidized_CL _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Adx_oxidized_CL _Assigned_chem_shift_list.Entry_ID 15301 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '2D 1H-15N HSQC' . . . 15301 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 . 2 2 2 2 ASP H H 1 8.268 0.005 . 1 . . . . 5 ASP H . 15301 1 2 . 2 2 2 2 ASP N N 15 121.37 0.1 . 1 . . . . 5 ASP N . 15301 1 3 . 2 2 3 3 LYS H H 1 7.759 0.005 . 1 . . . . 6 LYS H . 15301 1 4 . 2 2 3 3 LYS N N 15 118.63 0.1 . 1 . . . . 6 LYS N . 15301 1 5 . 2 2 4 4 ILE H H 1 8.750 0.005 . 1 . . . . 7 ILE H . 15301 1 6 . 2 2 4 4 ILE N N 15 117.15 0.1 . 1 . . . . 7 ILE N . 15301 1 7 . 2 2 5 5 THR H H 1 8.532 0.005 . 1 . . . . 8 THR H . 15301 1 8 . 2 2 5 5 THR N N 15 120.57 0.1 . 1 . . . . 8 THR N . 15301 1 9 . 2 2 6 6 VAL H H 1 8.346 0.005 . 1 . . . . 9 VAL H . 15301 1 10 . 2 2 6 6 VAL N N 15 124.04 0.1 . 1 . . . . 9 VAL N . 15301 1 11 . 2 2 7 7 HIS H H 1 8.335 0.005 . 1 . . . . 10 HIS H . 15301 1 12 . 2 2 7 7 HIS N N 15 124.62 0.1 . 1 . . . . 10 HIS N . 15301 1 13 . 2 2 8 8 PHE H H 1 9.407 0.005 . 1 . . . . 11 PHE H . 15301 1 14 . 2 2 8 8 PHE N N 15 121.92 0.1 . 1 . . . . 11 PHE N . 15301 1 15 . 2 2 9 9 ILE H H 1 8.919 0.005 . 1 . . . . 12 ILE H . 15301 1 16 . 2 2 9 9 ILE N N 15 122.54 0.1 . 1 . . . . 12 ILE N . 15301 1 17 . 2 2 10 10 ASN H H 1 8.713 0.005 . 1 . . . . 13 ASN H . 15301 1 18 . 2 2 10 10 ASN N N 15 124.60 0.1 . 1 . . . . 13 ASN N . 15301 1 19 . 2 2 11 11 ARG H H 1 8.340 0.005 . 1 . . . . 14 ARG H . 15301 1 20 . 2 2 11 11 ARG N N 15 119.35 0.1 . 1 . . . . 14 ARG N . 15301 1 21 . 2 2 12 12 ASP H H 1 7.521 0.005 . 1 . . . . 15 ASP H . 15301 1 22 . 2 2 12 12 ASP N N 15 115.93 0.1 . 1 . . . . 15 ASP N . 15301 1 23 . 2 2 13 13 GLY H H 1 7.982 0.005 . 1 . . . . 16 GLY H . 15301 1 24 . 2 2 13 13 GLY N N 15 107.93 0.1 . 1 . . . . 16 GLY N . 15301 1 25 . 2 2 14 14 GLU H H 1 7.850 0.005 . 1 . . . . 17 GLU H . 15301 1 26 . 2 2 14 14 GLU N N 15 122.03 0.1 . 1 . . . . 17 GLU N . 15301 1 27 . 2 2 15 15 THR H H 1 8.516 0.005 . 1 . . . . 18 THR H . 15301 1 28 . 2 2 15 15 THR N N 15 118.55 0.1 . 1 . . . . 18 THR N . 15301 1 29 . 2 2 16 16 LEU H H 1 9.844 0.005 . 1 . . . . 19 LEU H . 15301 1 30 . 2 2 16 16 LEU N N 15 130.88 0.1 . 1 . . . . 19 LEU N . 15301 1 31 . 2 2 17 17 THR H H 1 8.682 0.005 . 1 . . . . 20 THR H . 15301 1 32 . 2 2 17 17 THR N N 15 122.39 0.1 . 1 . . . . 20 THR N . 15301 1 33 . 2 2 18 18 THR H H 1 8.628 0.005 . 1 . . . . 21 THR H . 15301 1 34 . 2 2 18 18 THR N N 15 122.31 0.1 . 1 . . . . 21 THR N . 15301 1 35 . 2 2 19 19 LYS H H 1 7.803 0.005 . 1 . . . . 22 LYS H . 15301 1 36 . 2 2 19 19 LYS N N 15 117.74 0.1 . 1 . . . . 22 LYS N . 15301 1 37 . 2 2 20 20 GLY H H 1 8.631 0.005 . 1 . . . . 23 GLY H . 15301 1 38 . 2 2 20 20 GLY N N 15 106.52 0.1 . 1 . . . . 23 GLY N . 15301 1 39 . 2 2 21 21 LYS H H 1 8.678 0.005 . 1 . . . . 24 LYS H . 15301 1 40 . 2 2 21 21 LYS N N 15 121.36 0.1 . 1 . . . . 24 LYS N . 15301 1 41 . 2 2 22 22 ILE H H 1 8.159 0.005 . 1 . . . . 25 ILE H . 15301 1 42 . 2 2 22 22 ILE N N 15 122.37 0.1 . 1 . . . . 25 ILE N . 15301 1 43 . 2 2 23 23 GLY H H 1 8.550 0.005 . 1 . . . . 26 GLY H . 15301 1 44 . 2 2 23 23 GLY N N 15 116.33 0.1 . 1 . . . . 26 GLY N . 15301 1 45 . 2 2 24 24 ASP H H 1 8.010 0.005 . 1 . . . . 27 ASP H . 15301 1 46 . 2 2 24 24 ASP N N 15 122.87 0.1 . 1 . . . . 27 ASP N . 15301 1 47 . 2 2 25 25 SER H H 1 9.518 0.005 . 1 . . . . 28 SER H . 15301 1 48 . 2 2 25 25 SER N N 15 117.37 0.1 . 1 . . . . 28 SER N . 15301 1 49 . 2 2 26 26 LEU H H 1 7.877 0.005 . 1 . . . . 29 LEU H . 15301 1 50 . 2 2 26 26 LEU N N 15 118.18 0.1 . 1 . . . . 29 LEU N . 15301 1 51 . 2 2 28 28 ASP H H 1 7.706 0.005 . 1 . . . . 31 ASP H . 15301 1 52 . 2 2 28 28 ASP N N 15 120.39 0.1 . 1 . . . . 31 ASP N . 15301 1 53 . 2 2 29 29 VAL H H 1 7.567 0.005 . 1 . . . . 32 VAL H . 15301 1 54 . 2 2 29 29 VAL N N 15 116.40 0.1 . 1 . . . . 32 VAL N . 15301 1 55 . 2 2 30 30 VAL H H 1 7.149 0.005 . 1 . . . . 33 VAL H . 15301 1 56 . 2 2 30 30 VAL N N 15 120.49 0.1 . 1 . . . . 33 VAL N . 15301 1 57 . 2 2 31 31 VAL H H 1 8.274 0.005 . 1 . . . . 34 VAL H . 15301 1 58 . 2 2 31 31 VAL N N 15 117.91 0.1 . 1 . . . . 34 VAL N . 15301 1 59 . 2 2 32 32 GLN H H 1 8.990 0.005 . 1 . . . . 35 GLN H . 15301 1 60 . 2 2 32 32 GLN N N 15 118.10 0.1 . 1 . . . . 35 GLN N . 15301 1 61 . 2 2 33 33 ASN H H 1 6.905 0.005 . 1 . . . . 36 ASN H . 15301 1 62 . 2 2 33 33 ASN N N 15 111.68 0.1 . 1 . . . . 36 ASN N . 15301 1 63 . 2 2 34 34 ASN H H 1 7.628 0.005 . 1 . . . . 37 ASN H . 15301 1 64 . 2 2 34 34 ASN N N 15 116.72 0.1 . 1 . . . . 37 ASN N . 15301 1 65 . 2 2 35 35 LEU H H 1 7.598 0.005 . 1 . . . . 38 LEU H . 15301 1 66 . 2 2 35 35 LEU N N 15 114.93 0.1 . 1 . . . . 38 LEU N . 15301 1 67 . 2 2 36 36 ASP H H 1 8.426 0.005 . 1 . . . . 39 ASP H . 15301 1 68 . 2 2 36 36 ASP N N 15 122.40 0.1 . 1 . . . . 39 ASP N . 15301 1 69 . 2 2 37 37 ILE H H 1 7.404 0.005 . 1 . . . . 40 ILE H . 15301 1 70 . 2 2 37 37 ILE N N 15 123.20 0.1 . 1 . . . . 40 ILE N . 15301 1 71 . 2 2 38 38 ASP H H 1 8.353 0.005 . 1 . . . . 41 ASP H . 15301 1 72 . 2 2 38 38 ASP N N 15 127.19 0.1 . 1 . . . . 41 ASP N . 15301 1 73 . 2 2 39 39 GLY H H 1 8.901 0.005 . 1 . . . . 42 GLY H . 15301 1 74 . 2 2 39 39 GLY N N 15 113.85 0.1 . 1 . . . . 42 GLY N . 15301 1 75 . 2 2 40 40 PHE H H 1 7.476 0.005 . 1 . . . . 43 PHE H . 15301 1 76 . 2 2 40 40 PHE N N 15 120.59 0.1 . 1 . . . . 43 PHE N . 15301 1 77 . 2 2 55 55 ILE H H 1 8.396 0.005 . 1 . . . . 58 ILE H . 15301 1 78 . 2 2 55 55 ILE N N 15 118.92 0.1 . 1 . . . . 58 ILE N . 15301 1 79 . 2 2 56 56 PHE H H 1 8.511 0.005 . 1 . . . . 59 PHE H . 15301 1 80 . 2 2 56 56 PHE N N 15 127.64 0.1 . 1 . . . . 59 PHE N . 15301 1 81 . 2 2 57 57 GLU H H 1 9.034 0.005 . 1 . . . . 60 GLU H . 15301 1 82 . 2 2 57 57 GLU N N 15 118.94 0.1 . 1 . . . . 60 GLU N . 15301 1 83 . 2 2 58 58 GLN H H 1 9.443 0.005 . 1 . . . . 61 GLN H . 15301 1 84 . 2 2 58 58 GLN N N 15 125.11 0.1 . 1 . . . . 61 GLN N . 15301 1 85 . 2 2 59 59 HIS H H 1 8.235 0.005 . 1 . . . . 62 HIS H . 15301 1 86 . 2 2 59 59 HIS N N 15 112.16 0.1 . 1 . . . . 62 HIS N . 15301 1 87 . 2 2 60 60 ILE H H 1 6.126 0.005 . 1 . . . . 63 ILE H . 15301 1 88 . 2 2 60 60 ILE N N 15 119.24 0.1 . 1 . . . . 63 ILE N . 15301 1 89 . 2 2 61 61 PHE H H 1 8.491 0.005 . 1 . . . . 64 PHE H . 15301 1 90 . 2 2 61 61 PHE N N 15 119.60 0.1 . 1 . . . . 64 PHE N . 15301 1 91 . 2 2 62 62 GLU H H 1 7.794 0.005 . 1 . . . . 65 GLU H . 15301 1 92 . 2 2 62 62 GLU N N 15 112.50 0.1 . 1 . . . . 65 GLU N . 15301 1 93 . 2 2 63 63 LYS H H 1 7.149 0.005 . 1 . . . . 66 LYS H . 15301 1 94 . 2 2 63 63 LYS N N 15 116.41 0.1 . 1 . . . . 66 LYS N . 15301 1 95 . 2 2 64 64 LEU H H 1 6.539 0.005 . 1 . . . . 67 LEU H . 15301 1 96 . 2 2 64 64 LEU N N 15 118.84 0.1 . 1 . . . . 67 LEU N . 15301 1 97 . 2 2 65 65 GLU H H 1 9.120 0.005 . 1 . . . . 68 GLU H . 15301 1 98 . 2 2 65 65 GLU N N 15 121.86 0.1 . 1 . . . . 68 GLU N . 15301 1 99 . 2 2 66 66 ALA H H 1 8.069 0.005 . 1 . . . . 69 ALA H . 15301 1 100 . 2 2 66 66 ALA N N 15 123.36 0.1 . 1 . . . . 69 ALA N . 15301 1 101 . 2 2 67 67 ILE H H 1 8.277 0.005 . 1 . . . . 70 ILE H . 15301 1 102 . 2 2 67 67 ILE N N 15 124.58 0.1 . 1 . . . . 70 ILE N . 15301 1 103 . 2 2 68 68 THR H H 1 7.708 0.005 . 1 . . . . 71 THR H . 15301 1 104 . 2 2 68 68 THR N N 15 117.41 0.1 . 1 . . . . 71 THR N . 15301 1 105 . 2 2 69 69 ASP H H 1 8.789 0.005 . 1 . . . . 72 ASP H . 15301 1 106 . 2 2 69 69 ASP N N 15 121.90 0.1 . 1 . . . . 72 ASP N . 15301 1 107 . 2 2 70 70 GLU H H 1 8.725 0.005 . 1 . . . . 73 GLU H . 15301 1 108 . 2 2 70 70 GLU N N 15 117.12 0.1 . 1 . . . . 73 GLU N . 15301 1 109 . 2 2 71 71 GLU H H 1 7.272 0.005 . 1 . . . . 74 GLU H . 15301 1 110 . 2 2 71 71 GLU N N 15 119.15 0.1 . 1 . . . . 74 GLU N . 15301 1 111 . 2 2 72 72 ASN H H 1 8.179 0.005 . 1 . . . . 75 ASN H . 15301 1 112 . 2 2 72 72 ASN N N 15 118.32 0.1 . 1 . . . . 75 ASN N . 15301 1 113 . 2 2 73 73 ASP H H 1 8.138 0.005 . 1 . . . . 76 ASP H . 15301 1 114 . 2 2 73 73 ASP N N 15 117.11 0.1 . 1 . . . . 76 ASP N . 15301 1 115 . 2 2 74 74 MET H H 1 6.967 0.005 . 1 . . . . 77 MET H . 15301 1 116 . 2 2 74 74 MET N N 15 116.20 0.1 . 1 . . . . 77 MET N . 15301 1 117 . 2 2 77 77 CYS H H 1 6.846 0.005 . 1 . . . . 80 CYS H . 15301 1 118 . 2 2 77 77 CYS N N 15 117.51 0.1 . 1 . . . . 80 CYS N . 15301 1 119 . 2 2 79 79 TYR H H 1 8.128 0.005 . 1 . . . . 82 TYR H . 15301 1 120 . 2 2 79 79 TYR N N 15 122.24 0.1 . 1 . . . . 82 TYR N . 15301 1 121 . 2 2 80 80 GLY H H 1 8.356 0.005 . 1 . . . . 83 GLY H . 15301 1 122 . 2 2 80 80 GLY N N 15 112.79 0.1 . 1 . . . . 83 GLY N . 15301 1 123 . 2 2 82 82 THR H H 1 8.683 0.005 . 1 . . . . 85 THR H . 15301 1 124 . 2 2 82 82 THR N N 15 117.03 0.1 . 1 . . . . 85 THR N . 15301 1 125 . 2 2 83 83 ASP H H 1 8.340 0.005 . 1 . . . . 86 ASP H . 15301 1 126 . 2 2 83 83 ASP N N 15 117.01 0.1 . 1 . . . . 86 ASP N . 15301 1 127 . 2 2 84 84 ARG H H 1 7.935 0.005 . 1 . . . . 87 ARG H . 15301 1 128 . 2 2 84 84 ARG N N 15 119.63 0.1 . 1 . . . . 87 ARG N . 15301 1 129 . 2 2 85 85 SER H H 1 6.684 0.005 . 1 . . . . 88 SER H . 15301 1 130 . 2 2 85 85 SER N N 15 119.19 0.1 . 1 . . . . 88 SER N . 15301 1 131 . 2 2 86 86 ARG H H 1 8.981 0.005 . 1 . . . . 89 ARG H . 15301 1 132 . 2 2 86 86 ARG N N 15 116.65 0.1 . 1 . . . . 89 ARG N . 15301 1 133 . 2 2 92 92 SER H H 1 7.850 0.005 . 1 . . . . 95 SER H . 15301 1 134 . 2 2 92 92 SER N N 15 120.61 0.1 . 1 . . . . 95 SER N . 15301 1 135 . 2 2 93 93 LEU H H 1 8.879 0.005 . 1 . . . . 96 LEU H . 15301 1 136 . 2 2 93 93 LEU N N 15 121.44 0.1 . 1 . . . . 96 LEU N . 15301 1 137 . 2 2 94 94 THR H H 1 7.623 0.005 . 1 . . . . 97 THR H . 15301 1 138 . 2 2 94 94 THR N N 15 113.52 0.1 . 1 . . . . 97 THR N . 15301 1 139 . 2 2 95 95 LYS H H 1 8.884 0.005 . 1 . . . . 98 LYS H . 15301 1 140 . 2 2 95 95 LYS N N 15 120.07 0.1 . 1 . . . . 98 LYS N . 15301 1 141 . 2 2 96 96 ALA H H 1 7.702 0.005 . 1 . . . . 99 ALA H . 15301 1 142 . 2 2 96 96 ALA N N 15 119.52 0.1 . 1 . . . . 99 ALA N . 15301 1 143 . 2 2 97 97 MET H H 1 7.418 0.005 . 1 . . . . 100 MET H . 15301 1 144 . 2 2 97 97 MET N N 15 115.22 0.1 . 1 . . . . 100 MET N . 15301 1 145 . 2 2 98 98 ASP H H 1 7.125 0.005 . 1 . . . . 101 ASP H . 15301 1 146 . 2 2 98 98 ASP N N 15 117.65 0.1 . 1 . . . . 101 ASP N . 15301 1 147 . 2 2 99 99 ASN H H 1 9.890 0.005 . 1 . . . . 102 ASN H . 15301 1 148 . 2 2 99 99 ASN N N 15 122.68 0.1 . 1 . . . . 102 ASN N . 15301 1 149 . 2 2 100 100 MET H H 1 8.266 0.005 . 1 . . . . 103 MET H . 15301 1 150 . 2 2 100 100 MET N N 15 117.68 0.1 . 1 . . . . 103 MET N . 15301 1 151 . 2 2 101 101 THR H H 1 8.371 0.005 . 1 . . . . 104 THR H . 15301 1 152 . 2 2 101 101 THR N N 15 116.04 0.1 . 1 . . . . 104 THR N . 15301 1 153 . 2 2 102 102 VAL H H 1 8.904 0.005 . 1 . . . . 105 VAL H . 15301 1 154 . 2 2 102 102 VAL N N 15 121.95 0.1 . 1 . . . . 105 VAL N . 15301 1 155 . 2 2 103 103 ARG H H 1 8.189 0.005 . 1 . . . . 106 ARG H . 15301 1 156 . 2 2 103 103 ARG N N 15 120.61 0.1 . 1 . . . . 106 ARG N . 15301 1 157 . 2 2 104 104 VAL H H 1 8.285 0.005 . 1 . . . . 107 VAL H . 15301 1 158 . 2 2 104 104 VAL N N 15 125.57 0.1 . 1 . . . . 107 VAL N . 15301 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_Cc_oxdized_CL _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Cc_oxdized_CL _Assigned_chem_shift_list.Entry_ID 15301 _Assigned_chem_shift_list.ID 2 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15301 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 7 7 SER H H 1 9.225 0.005 . 1 . . . . 2 SER H . 15301 2 2 . 1 1 7 7 SER N N 15 120.09 0.1 . 1 . . . . 2 SER N . 15301 2 3 . 1 1 11 11 GLY H H 1 8.515 0.005 . 1 . . . . 6 GLY H . 15301 2 4 . 1 1 11 11 GLY N N 15 107.37 0.1 . 1 . . . . 6 GLY N . 15301 2 5 . 1 1 12 12 ALA H H 1 7.879 0.005 . 1 . . . . 7 ALA H . 15301 2 6 . 1 1 12 12 ALA N N 15 124.68 0.1 . 1 . . . . 7 ALA N . 15301 2 7 . 1 1 14 14 LEU H H 1 7.614 0.005 . 1 . . . . 9 LEU H . 15301 2 8 . 1 1 14 14 LEU N N 15 123.06 0.1 . 1 . . . . 9 LEU N . 15301 2 9 . 1 1 15 15 PHE H H 1 8.407 0.005 . 1 . . . . 10 PHE H . 15301 2 10 . 1 1 15 15 PHE N N 15 119.65 0.1 . 1 . . . . 10 PHE N . 15301 2 11 . 1 1 20 20 LEU H H 1 7.950 0.005 . 1 . . . . 15 LEU H . 15301 2 12 . 1 1 20 20 LEU N N 15 122.95 0.1 . 1 . . . . 15 LEU N . 15301 2 13 . 1 1 21 21 GLN H H 1 9.840 0.005 . 1 . . . . 16 GLN H . 15301 2 14 . 1 1 21 21 GLN N N 15 117.87 0.1 . 1 . . . . 16 GLN N . 15301 2 15 . 1 1 23 23 HIS H H 1 11.219 0.005 . 1 . . . . 18 HIS H . 15301 2 16 . 1 1 23 23 HIS N N 15 119.52 0.1 . 1 . . . . 18 HIS N . 15301 2 17 . 1 1 24 24 THR H H 1 10.266 0.005 . 1 . . . . 19 THR H . 15301 2 18 . 1 1 24 24 THR N N 15 110.43 0.1 . 1 . . . . 19 THR N . 15301 2 19 . 1 1 25 25 VAL H H 1 8.422 0.005 . 1 . . . . 20 VAL H . 15301 2 20 . 1 1 25 25 VAL N N 15 109.56 0.1 . 1 . . . . 20 VAL N . 15301 2 21 . 1 1 27 27 LYS H H 1 8.845 0.005 . 1 . . . . 22 LYS H . 15301 2 22 . 1 1 27 27 LYS N N 15 125.73 0.1 . 1 . . . . 22 LYS N . 15301 2 23 . 1 1 28 28 GLY H H 1 9.484 0.005 . 1 . . . . 23 GLY H . 15301 2 24 . 1 1 28 28 GLY N N 15 114.46 0.1 . 1 . . . . 23 GLY N . 15301 2 25 . 1 1 29 29 GLY H H 1 8.219 0.005 . 1 . . . . 24 GLY H . 15301 2 26 . 1 1 29 29 GLY N N 15 108.50 0.1 . 1 . . . . 24 GLY N . 15301 2 27 . 1 1 32 32 LYS H H 1 8.208 0.005 . 1 . . . . 27 LYS H . 15301 2 28 . 1 1 32 32 LYS N N 15 125.84 0.1 . 1 . . . . 27 LYS N . 15301 2 29 . 1 1 36 36 ASN H H 1 11.594 0.005 . 1 . . . . 31 ASN H . 15301 2 30 . 1 1 36 36 ASN N N 15 127.31 0.1 . 1 . . . . 31 ASN N . 15301 2 31 . 1 1 37 37 LEU H H 1 9.526 0.005 . 1 . . . . 32 LEU H . 15301 2 32 . 1 1 37 37 LEU N N 15 122.15 0.1 . 1 . . . . 32 LEU N . 15301 2 33 . 1 1 42 42 GLY H H 1 8.598 0.005 . 1 . . . . 37 GLY H . 15301 2 34 . 1 1 42 42 GLY N N 15 109.62 0.1 . 1 . . . . 37 GLY N . 15301 2 35 . 1 1 44 44 HIS H H 1 7.770 0.005 . 1 . . . . 39 HIS H . 15301 2 36 . 1 1 44 44 HIS N N 15 115.45 0.1 . 1 . . . . 39 HIS N . 15301 2 37 . 1 1 45 45 SER H H 1 8.501 0.005 . 1 . . . . 40 SER H . 15301 2 38 . 1 1 45 45 SER N N 15 115.18 0.1 . 1 . . . . 40 SER N . 15301 2 39 . 1 1 46 46 GLY H H 1 8.668 0.005 . 1 . . . . 41 GLY H . 15301 2 40 . 1 1 46 46 GLY N N 15 109.08 0.1 . 1 . . . . 41 GLY N . 15301 2 41 . 1 1 48 48 ALA H H 1 7.966 0.005 . 1 . . . . 43 ALA H . 15301 2 42 . 1 1 48 48 ALA N N 15 124.38 0.1 . 1 . . . . 43 ALA N . 15301 2 43 . 1 1 49 49 GLU H H 1 8.718 0.005 . 1 . . . . 44 GLU H . 15301 2 44 . 1 1 49 49 GLU N N 15 125.17 0.1 . 1 . . . . 44 GLU N . 15301 2 45 . 1 1 51 51 TYR H H 1 6.671 0.005 . 1 . . . . 46 TYR H . 15301 2 46 . 1 1 51 51 TYR N N 15 119.04 0.1 . 1 . . . . 46 TYR N . 15301 2 47 . 1 1 52 52 SER H H 1 6.389 0.005 . 1 . . . . 47 SER H . 15301 2 48 . 1 1 52 52 SER N N 15 122.05 0.1 . 1 . . . . 47 SER N . 15301 2 49 . 1 1 53 53 TYR H H 1 7.457 0.005 . 1 . . . . 48 TYR H . 15301 2 50 . 1 1 53 53 TYR N N 15 123.90 0.1 . 1 . . . . 48 TYR N . 15301 2 51 . 1 1 54 54 THR H H 1 9.402 0.005 . 1 . . . . 49 THR H . 15301 2 52 . 1 1 54 54 THR N N 15 111.89 0.1 . 1 . . . . 49 THR N . 15301 2 53 . 1 1 55 55 ASP H H 1 8.406 0.005 . 1 . . . . 50 ASP H . 15301 2 54 . 1 1 55 55 ASP N N 15 120.45 0.1 . 1 . . . . 50 ASP N . 15301 2 55 . 1 1 56 56 ALA H H 1 7.946 0.005 . 1 . . . . 51 ALA H . 15301 2 56 . 1 1 56 56 ALA N N 15 119.19 0.1 . 1 . . . . 51 ALA N . 15301 2 57 . 1 1 57 57 ASN H H 1 8.206 0.005 . 1 . . . . 52 ASN H . 15301 2 58 . 1 1 57 57 ASN N N 15 117.67 0.1 . 1 . . . . 52 ASN N . 15301 2 59 . 1 1 58 58 ILE H H 1 7.471 0.005 . 1 . . . . 53 ILE H . 15301 2 60 . 1 1 58 58 ILE N N 15 120.64 0.1 . 1 . . . . 53 ILE N . 15301 2 61 . 1 1 59 59 LYS H H 1 8.969 0.005 . 1 . . . . 54 LYS H . 15301 2 62 . 1 1 59 59 LYS N N 15 119.17 0.1 . 1 . . . . 54 LYS N . 15301 2 63 . 1 1 60 60 LYS H H 1 7.236 0.005 . 1 . . . . 55 LYS H . 15301 2 64 . 1 1 60 60 LYS N N 15 117.80 0.1 . 1 . . . . 55 LYS N . 15301 2 65 . 1 1 61 61 ASN H H 1 7.024 0.005 . 1 . . . . 56 ASN H . 15301 2 66 . 1 1 61 61 ASN N N 15 111.53 0.1 . 1 . . . . 56 ASN N . 15301 2 67 . 1 1 62 62 VAL H H 1 7.137 0.005 . 1 . . . . 57 VAL H . 15301 2 68 . 1 1 62 62 VAL N N 15 113.35 0.1 . 1 . . . . 57 VAL N . 15301 2 69 . 1 1 63 63 LEU H H 1 8.169 0.005 . 1 . . . . 58 LEU H . 15301 2 70 . 1 1 63 63 LEU N N 15 127.63 0.1 . 1 . . . . 58 LEU N . 15301 2 71 . 1 1 64 64 TRP H H 1 7.658 0.005 . 1 . . . . 59 TRP H . 15301 2 72 . 1 1 64 64 TRP N N 15 128.18 0.1 . 1 . . . . 59 TRP N . 15301 2 73 . 1 1 66 66 GLU H H 1 9.897 0.005 . 1 . . . . 61 GLU H . 15301 2 74 . 1 1 66 66 GLU N N 15 116.02 0.1 . 1 . . . . 61 GLU N . 15301 2 75 . 1 1 67 67 ASN H H 1 7.981 0.005 . 1 . . . . 62 ASN H . 15301 2 76 . 1 1 67 67 ASN N N 15 115.06 0.1 . 1 . . . . 62 ASN N . 15301 2 77 . 1 1 68 68 ASN H H 1 9.246 0.005 . 1 . . . . 63 ASN H . 15301 2 78 . 1 1 68 68 ASN N N 15 121.72 0.1 . 1 . . . . 63 ASN N . 15301 2 79 . 1 1 69 69 MET H H 1 8.683 0.005 . 1 . . . . 64 MET H . 15301 2 80 . 1 1 69 69 MET N N 15 120.86 0.1 . 1 . . . . 64 MET N . 15301 2 81 . 1 1 70 70 SER H H 1 7.238 0.005 . 1 . . . . 65 SER H . 15301 2 82 . 1 1 70 70 SER N N 15 113.34 0.1 . 1 . . . . 65 SER N . 15301 2 83 . 1 1 71 71 GLU H H 1 7.438 0.005 . 1 . . . . 66 GLU H . 15301 2 84 . 1 1 71 71 GLU N N 15 120.68 0.1 . 1 . . . . 66 GLU N . 15301 2 85 . 1 1 72 72 TYR H H 1 8.296 0.005 . 1 . . . . 67 TYR H . 15301 2 86 . 1 1 72 72 TYR N N 15 122.06 0.1 . 1 . . . . 67 TYR N . 15301 2 87 . 1 1 74 74 THR H H 1 7.219 0.005 . 1 . . . . 69 THR H . 15301 2 88 . 1 1 74 74 THR N N 15 115.37 0.1 . 1 . . . . 69 THR N . 15301 2 89 . 1 1 75 75 ASN H H 1 6.717 0.005 . 1 . . . . 70 ASN H . 15301 2 90 . 1 1 75 75 ASN N N 15 108.38 0.1 . 1 . . . . 70 ASN N . 15301 2 91 . 1 1 77 77 LYS H H 1 9.543 0.005 . 1 . . . . 72 LYS H . 15301 2 92 . 1 1 77 77 LYS N N 15 115.05 0.1 . 1 . . . . 72 LYS N . 15301 2 93 . 1 1 78 78 LYS H H 1 7.785 0.005 . 1 . . . . 73 LYS H . 15301 2 94 . 1 1 78 78 LYS N N 15 118.53 0.1 . 1 . . . . 73 LYS N . 15301 2 95 . 1 1 79 79 TYR H H 1 8.024 0.005 . 1 . . . . 74 TYR H . 15301 2 96 . 1 1 79 79 TYR N N 15 119.88 0.1 . 1 . . . . 74 TYR N . 15301 2 97 . 1 1 80 80 ILE H H 1 9.419 0.005 . 1 . . . . 75 ILE H . 15301 2 98 . 1 1 80 80 ILE N N 15 118.03 0.1 . 1 . . . . 75 ILE N . 15301 2 99 . 1 1 82 82 GLY H H 1 9.330 0.005 . 1 . . . . 77 GLY H . 15301 2 100 . 1 1 82 82 GLY N N 15 111.77 0.1 . 1 . . . . 77 GLY N . 15301 2 101 . 1 1 83 83 THR H H 1 9.014 0.005 . 1 . . . . 78 THR H . 15301 2 102 . 1 1 83 83 THR N N 15 115.12 0.1 . 1 . . . . 78 THR N . 15301 2 103 . 1 1 87 87 PHE H H 1 8.760 0.005 . 1 . . . . 82 PHE H . 15301 2 104 . 1 1 87 87 PHE N N 15 122.22 0.1 . 1 . . . . 82 PHE N . 15301 2 105 . 1 1 91 91 LYS H H 1 8.109 0.005 . 1 . . . . 86 LYS H . 15301 2 106 . 1 1 91 91 LYS N N 15 122.13 0.1 . 1 . . . . 86 LYS N . 15301 2 107 . 1 1 93 93 GLU H H 1 8.789 0.005 . 1 . . . . 88 GLU H . 15301 2 108 . 1 1 93 93 GLU N N 15 128.89 0.1 . 1 . . . . 88 GLU N . 15301 2 109 . 1 1 96 96 ARG H H 1 7.042 0.005 . 1 . . . . 91 ARG H . 15301 2 110 . 1 1 96 96 ARG N N 15 117.37 0.1 . 1 . . . . 91 ARG N . 15301 2 111 . 1 1 97 97 ASN H H 1 8.336 0.005 . 1 . . . . 92 ASN H . 15301 2 112 . 1 1 97 97 ASN N N 15 117.24 0.1 . 1 . . . . 92 ASN N . 15301 2 113 . 1 1 98 98 ASP H H 1 8.330 0.005 . 1 . . . . 93 ASP H . 15301 2 114 . 1 1 98 98 ASP N N 15 125.10 0.1 . 1 . . . . 93 ASP N . 15301 2 115 . 1 1 99 99 LEU H H 1 8.179 0.005 . 1 . . . . 94 LEU H . 15301 2 116 . 1 1 99 99 LEU N N 15 120.21 0.1 . 1 . . . . 94 LEU N . 15301 2 117 . 1 1 100 100 ILE H H 1 8.513 0.005 . 1 . . . . 95 ILE H . 15301 2 118 . 1 1 100 100 ILE N N 15 119.35 0.1 . 1 . . . . 95 ILE N . 15301 2 119 . 1 1 101 101 THR H H 1 7.782 0.005 . 1 . . . . 96 THR H . 15301 2 120 . 1 1 101 101 THR N N 15 117.31 0.1 . 1 . . . . 96 THR N . 15301 2 121 . 1 1 102 102 TYR H H 1 7.443 0.005 . 1 . . . . 97 TYR H . 15301 2 122 . 1 1 102 102 TYR N N 15 119.21 0.1 . 1 . . . . 97 TYR N . 15301 2 123 . 1 1 103 103 LEU H H 1 8.857 0.005 . 1 . . . . 98 LEU H . 15301 2 124 . 1 1 103 103 LEU N N 15 119.70 0.1 . 1 . . . . 98 LEU N . 15301 2 125 . 1 1 104 104 LYS H H 1 8.537 0.005 . 1 . . . . 99 LYS H . 15301 2 126 . 1 1 104 104 LYS N N 15 120.43 0.1 . 1 . . . . 99 LYS N . 15301 2 127 . 1 1 105 105 LYS H H 1 6.265 0.005 . 1 . . . . 100 LYS H . 15301 2 128 . 1 1 105 105 LYS N N 15 115.36 0.1 . 1 . . . . 100 LYS N . 15301 2 129 . 1 1 106 106 ALA H H 1 8.210 0.005 . 1 . . . . 101 ALA H . 15301 2 130 . 1 1 106 106 ALA N N 15 119.24 0.1 . 1 . . . . 101 ALA N . 15301 2 131 . 1 1 107 107 THR H H 1 7.214 0.005 . 1 . . . . 102 THR H . 15301 2 132 . 1 1 107 107 THR N N 15 102.27 0.1 . 1 . . . . 102 THR N . 15301 2 133 . 1 1 108 108 GLU H H 1 6.668 0.005 . 1 . . . . 103 GLU H . 15301 2 134 . 1 1 108 108 GLU N N 15 126.01 0.1 . 1 . . . . 103 GLU N . 15301 2 stop_ save_