################################### # 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_GRXS14_assigned_chem_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode GRXS14_assigned_chem_shifts _Assigned_chem_shift_list.Entry_ID 19850 _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 3 '2D 1H-15N HSQC' 3 $sample_3 . 19850 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 SER H H 1 7.98 . . . . . . . 65 SER H . 19850 1 2 . 1 1 1 1 SER N N 15 122.17 . . . . . . . 65 SER N . 19850 1 3 . 1 1 2 2 ALA H H 1 8.98 . . . . . . . 66 ALA H . 19850 1 4 . 1 1 2 2 ALA N N 15 120.11 . . . . . . . 66 ALA N . 19850 1 5 . 1 1 3 3 LEU H H 1 7.75 . . . . . . A 67 LEU H . 19850 1 6 . 1 1 3 3 LEU N N 15 117.68 . . . . . . A 67 LEU N . 19850 1 7 . 1 1 4 4 THR H H 1 7.7 . . . . . . A 68 THR H . 19850 1 8 . 1 1 4 4 THR N N 15 117.91 . . . . . . A 68 THR N . 19850 1 9 . 1 1 7 7 LEU H H 1 7.93 . . . . . . A 71 LEU H . 19850 1 10 . 1 1 7 7 LEU N N 15 121.29 . . . . . . A 71 LEU N . 19850 1 11 . 1 1 8 8 LYS H H 1 8.67 . . . . . . A 72 LYS H . 19850 1 12 . 1 1 8 8 LYS N N 15 120.01 . . . . . . A 72 LYS N . 19850 1 13 . 1 1 9 9 ASP H H 1 7.81 . . . . . . A 73 ASP H . 19850 1 14 . 1 1 9 9 ASP N N 15 115.45 . . . . . . A 73 ASP N . 19850 1 15 . 1 1 10 10 THR H H 1 7.85 . . . . . . A 74 THR H . 19850 1 16 . 1 1 10 10 THR N N 15 120.55 . . . . . . A 74 THR N . 19850 1 17 . 1 1 11 11 LEU H H 1 8.39 . . . . . . A 75 LEU H . 19850 1 18 . 1 1 11 11 LEU N N 15 121.93 . . . . . . A 75 LEU N . 19850 1 19 . 1 1 12 12 GLU H H 1 8.42 . . . . . . A 76 GLU H . 19850 1 20 . 1 1 12 12 GLU N N 15 119.26 . . . . . . A 76 GLU N . 19850 1 21 . 1 1 13 13 LYS H H 1 8.55 . . . . . . A 77 LYS H . 19850 1 22 . 1 1 13 13 LYS N N 15 118.64 . . . . . . A 77 LYS N . 19850 1 23 . 1 1 14 14 LEU H H 1 8.05 . . . . . . A 78 LEU H . 19850 1 24 . 1 1 14 14 LEU N N 15 121.4 . . . . . . A 78 LEU N . 19850 1 25 . 1 1 15 15 VAL H H 1 8.63 . . . . . . A 79 VAL H . 19850 1 26 . 1 1 15 15 VAL N N 15 113.18 . . . . . . A 79 VAL N . 19850 1 27 . 1 1 16 16 ASN H H 1 7.13 . . . . . . A 80 ASN H . 19850 1 28 . 1 1 16 16 ASN N N 15 114.49 . . . . . . A 80 ASN N . 19850 1 29 . 1 1 17 17 SER H H 1 7.58 . . . . . . A 81 SER H . 19850 1 30 . 1 1 17 17 SER N N 15 116.67 . . . . . . A 81 SER N . 19850 1 31 . 1 1 18 18 GLU H H 1 7.06 . . . . . . A 82 GLU H . 19850 1 32 . 1 1 18 18 GLU N N 15 118.44 . . . . . . A 82 GLU N . 19850 1 33 . 1 1 19 19 LYS H H 1 8.51 . . . . . . A 83 LYS H . 19850 1 34 . 1 1 19 19 LYS N N 15 122.21 . . . . . . A 83 LYS N . 19850 1 35 . 1 1 20 20 VAL H H 1 8.55 . . . . . . A 84 VAL H . 19850 1 36 . 1 1 20 20 VAL N N 15 118.64 . . . . . . A 84 VAL N . 19850 1 37 . 1 1 21 21 VAL H H 1 8.87 . . . . . . A 85 VAL H . 19850 1 38 . 1 1 21 21 VAL N N 15 126.95 . . . . . . A 85 VAL N . 19850 1 39 . 1 1 22 22 LEU H H 1 9.05 . . . . . . A 86 LEU H . 19850 1 40 . 1 1 22 22 LEU N N 15 128.27 . . . . . . A 86 LEU N . 19850 1 41 . 1 1 23 23 PHE H H 1 9.2 . . . . . . A 87 PHE H . 19850 1 42 . 1 1 23 23 PHE N N 15 126.34 . . . . . . A 87 PHE N . 19850 1 43 . 1 1 24 24 MET H H 1 9.53 . . . . . . A 88 MET H . 19850 1 44 . 1 1 24 24 MET N N 15 120.92 . . . . . . A 88 MET N . 19850 1 45 . 1 1 25 25 LYS H H 1 8.26 . . . . . . A 89 LYS H . 19850 1 46 . 1 1 25 25 LYS N N 15 118.35 . . . . . . A 89 LYS N . 19850 1 47 . 1 1 26 26 GLY H H 1 7.95 . . . . . . A 90 GLY H . 19850 1 48 . 1 1 26 26 GLY N N 15 116.4 . . . . . . A 90 GLY N . 19850 1 49 . 1 1 27 27 THR H H 1 7.06 . . . . . . A 91 THR H . 19850 1 50 . 1 1 27 27 THR N N 15 107.57 . . . . . . A 91 THR N . 19850 1 51 . 1 1 28 28 ARG H H 1 8.6 . . . . . . A 92 ARG H . 19850 1 52 . 1 1 28 28 ARG N N 15 117.1 . . . . . . A 92 ARG N . 19850 1 53 . 1 1 29 29 ASP H H 1 7.64 . . . . . . A 93 ASP H . 19850 1 54 . 1 1 29 29 ASP N N 15 115.19 . . . . . . A 93 ASP N . 19850 1 55 . 1 1 30 30 PHE H H 1 7.41 . . . . . . A 94 PHE H . 19850 1 56 . 1 1 30 30 PHE N N 15 119.05 . . . . . . A 94 PHE N . 19850 1 57 . 1 1 32 32 MET H H 1 8.57 . . . . . . A 96 MET H . 19850 1 58 . 1 1 32 32 MET N N 15 120.11 . . . . . . A 96 MET N . 19850 1 59 . 1 1 33 33 CYS H H 1 7.32 . . . . . . A 97 CYS H . 19850 1 60 . 1 1 33 33 CYS N N 15 117.9 . . . . . . A 97 CYS N . 19850 1 61 . 1 1 35 35 PHE H H 1 6.79 . . . . . . A 99 PHE H . 19850 1 62 . 1 1 35 35 PHE N N 15 116.4 . . . . . . A 99 PHE N . 19850 1 63 . 1 1 36 36 SER H H 1 8.98 . . . . . . A 100 SER H . 19850 1 64 . 1 1 36 36 SER N N 15 120.11 . . . . . . A 100 SER N . 19850 1 65 . 1 1 37 37 ASN H H 1 8.55 . . . . . . A 101 ASN H . 19850 1 66 . 1 1 37 37 ASN N N 15 118.64 . . . . . . A 101 ASN N . 19850 1 67 . 1 1 38 38 THR H H 1 8.24 . . . . . . A 102 THR H . 19850 1 68 . 1 1 38 38 THR N N 15 115.54 . . . . . . A 102 THR N . 19850 1 69 . 1 1 39 39 VAL H H 1 7.32 . . . . . . A 103 VAL H . 19850 1 70 . 1 1 39 39 VAL N N 15 117.9 . . . . . . A 103 VAL N . 19850 1 71 . 1 1 40 40 VAL H H 1 8.03 . . . . . . A 104 VAL H . 19850 1 72 . 1 1 40 40 VAL N N 15 119.62 . . . . . . A 104 VAL N . 19850 1 73 . 1 1 41 41 GLN H H 1 8.09 . . . . . . A 105 GLN H . 19850 1 74 . 1 1 41 41 GLN N N 15 116.45 . . . . . . A 105 GLN N . 19850 1 75 . 1 1 42 42 ILE H H 1 7.67 . . . . . . A 106 ILE H . 19850 1 76 . 1 1 42 42 ILE N N 15 121.09 . . . . . . A 106 ILE N . 19850 1 77 . 1 1 43 43 LEU H H 1 7.53 . . . . . . A 107 LEU H . 19850 1 78 . 1 1 43 43 LEU N N 15 117.76 . . . . . . A 107 LEU N . 19850 1 79 . 1 1 44 44 LYS H H 1 8.55 . . . . . . A 108 LYS H . 19850 1 80 . 1 1 44 44 LYS N N 15 118.64 . . . . . . A 108 LYS N . 19850 1 81 . 1 1 45 45 ASN H H 1 8.01 . . . . . . A 109 ASN H . 19850 1 82 . 1 1 45 45 ASN N N 15 119.6 . . . . . . A 109 ASN N . 19850 1 83 . 1 1 46 46 LEU H H 1 7.58 . . . . . . A 110 LEU H . 19850 1 84 . 1 1 46 46 LEU N N 15 118.98 . . . . . . A 110 LEU N . 19850 1 85 . 1 1 47 47 ASN H H 1 7.88 . . . . . . A 111 ASN H . 19850 1 86 . 1 1 47 47 ASN N N 15 115.39 . . . . . . A 111 ASN N . 19850 1 87 . 1 1 48 48 VAL H H 1 7.34 . . . . . . A 112 VAL H . 19850 1 88 . 1 1 48 48 VAL N N 15 114.46 . . . . . . A 112 VAL N . 19850 1 89 . 1 1 50 50 PHE H H 1 7.99 . . . . . . A 114 PHE H . 19850 1 90 . 1 1 50 50 PHE N N 15 115.98 . . . . . . A 114 PHE N . 19850 1 91 . 1 1 51 51 GLU H H 1 7.75 . . . . . . A 115 GLU H . 19850 1 92 . 1 1 51 51 GLU N N 15 122.8 . . . . . . A 115 GLU N . 19850 1 93 . 1 1 52 52 ASP H H 1 9.02 . . . . . . A 116 ASP H . 19850 1 94 . 1 1 52 52 ASP N N 15 123.17 . . . . . . A 116 ASP N . 19850 1 95 . 1 1 53 53 VAL H H 1 8.74 . . . . . . A 117 VAL H . 19850 1 96 . 1 1 53 53 VAL N N 15 123.71 . . . . . . A 117 VAL N . 19850 1 97 . 1 1 54 54 ASN H H 1 8.56 . . . . . . A 118 ASN H . 19850 1 98 . 1 1 54 54 ASN N N 15 125.27 . . . . . . A 118 ASN N . 19850 1 99 . 1 1 55 55 ILE H H 1 8.98 . . . . . . A 119 ILE H . 19850 1 100 . 1 1 55 55 ILE N N 15 120.11 . . . . . . A 119 ILE N . 19850 1 101 . 1 1 56 56 LEU H H 1 8 . . . . . . A 120 LEU H . 19850 1 102 . 1 1 56 56 LEU N N 15 118.22 . . . . . . A 120 LEU N . 19850 1 103 . 1 1 57 57 GLU H H 1 7.19 . . . . . . A 121 GLU H . 19850 1 104 . 1 1 57 57 GLU N N 15 113.58 . . . . . . A 121 GLU N . 19850 1 105 . 1 1 58 58 ASN H H 1 7.74 . . . . . . A 122 ASN H . 19850 1 106 . 1 1 58 58 ASN N N 15 113.29 . . . . . . A 122 ASN N . 19850 1 107 . 1 1 59 59 GLU H H 1 8.14 . . . . . . A 123 GLU H . 19850 1 108 . 1 1 59 59 GLU N N 15 114.27 . . . . . . A 123 GLU N . 19850 1 109 . 1 1 60 60 MET H H 1 8.18 . . . . . . A 124 MET H . 19850 1 110 . 1 1 60 60 MET N N 15 119.97 . . . . . . A 124 MET N . 19850 1 111 . 1 1 61 61 LEU H H 1 7.5 . . . . . . A 125 LEU H . 19850 1 112 . 1 1 61 61 LEU N N 15 119.63 . . . . . . A 125 LEU N . 19850 1 113 . 1 1 62 62 ARG H H 1 7.88 . . . . . . A 126 ARG H . 19850 1 114 . 1 1 62 62 ARG N N 15 118 . . . . . . A 126 ARG N . 19850 1 115 . 1 1 63 63 GLN H H 1 7.69 . . . . . . A 127 GLN H . 19850 1 116 . 1 1 63 63 GLN N N 15 112.31 . . . . . . A 127 GLN N . 19850 1 117 . 1 1 64 64 GLY H H 1 8.38 . . . . . . A 128 GLY H . 19850 1 118 . 1 1 64 64 GLY N N 15 107.1 . . . . . . A 128 GLY N . 19850 1 119 . 1 1 65 65 LEU H H 1 8.66 . . . . . . A 129 LEU H . 19850 1 120 . 1 1 65 65 LEU N N 15 122.44 . . . . . . A 129 LEU N . 19850 1 121 . 1 1 66 66 LYS H H 1 7.3 . . . . . . A 130 LYS H . 19850 1 122 . 1 1 66 66 LYS N N 15 118.25 . . . . . . A 130 LYS N . 19850 1 123 . 1 1 67 67 GLU H H 1 6.93 . . . . . . A 131 GLU H . 19850 1 124 . 1 1 67 67 GLU N N 15 116.63 . . . . . . A 131 GLU N . 19850 1 125 . 1 1 68 68 TYR H H 1 8.91 . . . . . . A 132 TYR H . 19850 1 126 . 1 1 68 68 TYR N N 15 121.85 . . . . . . A 132 TYR N . 19850 1 127 . 1 1 69 69 SER H H 1 8.57 . . . . . . A 133 SER H . 19850 1 128 . 1 1 69 69 SER N N 15 110.99 . . . . . . A 133 SER N . 19850 1 129 . 1 1 70 70 ASN H H 1 6.65 . . . . . . A 134 ASN H . 19850 1 130 . 1 1 70 70 ASN N N 15 111.58 . . . . . . A 134 ASN N . 19850 1 131 . 1 1 71 71 TRP H H 1 9.65 . . . . . . A 135 TRP H . 19850 1 132 . 1 1 71 71 TRP N N 15 127.97 . . . . . . A 135 TRP N . 19850 1 133 . 1 1 73 73 THR H H 1 6.17 . . . . . . A 137 THR H . 19850 1 134 . 1 1 73 73 THR N N 15 106.55 . . . . . . A 137 THR N . 19850 1 135 . 1 1 76 76 GLN H H 1 9.3 . . . . . . A 140 GLN H . 19850 1 136 . 1 1 76 76 GLN N N 15 117.53 . . . . . . A 140 GLN N . 19850 1 137 . 1 1 77 77 LEU H H 1 8.42 . . . . . . A 141 LEU H . 19850 1 138 . 1 1 77 77 LEU N N 15 126.29 . . . . . . A 141 LEU N . 19850 1 139 . 1 1 78 78 TYR H H 1 9.79 . . . . . . A 142 TYR H . 19850 1 140 . 1 1 78 78 TYR N N 15 130.14 . . . . . . A 142 TYR N . 19850 1 141 . 1 1 79 79 ILE H H 1 8.55 . . . . . . A 143 ILE H . 19850 1 142 . 1 1 79 79 ILE N N 15 118.64 . . . . . . A 143 ILE N . 19850 1 143 . 1 1 80 80 GLY H H 1 10.17 . . . . . . A 144 GLY H . 19850 1 144 . 1 1 80 80 GLY N N 15 118.37 . . . . . . A 144 GLY N . 19850 1 145 . 1 1 81 81 GLY H H 1 9.54 . . . . . . A 145 GLY H . 19850 1 146 . 1 1 81 81 GLY N N 15 106.42 . . . . . . A 145 GLY N . 19850 1 147 . 1 1 82 82 GLU H H 1 7.89 . . . . . . A 146 GLU H . 19850 1 148 . 1 1 82 82 GLU N N 15 118.35 . . . . . . A 146 GLU N . 19850 1 149 . 1 1 83 83 PHE H H 1 9.04 . . . . . . A 147 PHE H . 19850 1 150 . 1 1 83 83 PHE N N 15 126.28 . . . . . . A 147 PHE N . 19850 1 151 . 1 1 84 84 PHE H H 1 9.02 . . . . . . A 148 PHE H . 19850 1 152 . 1 1 84 84 PHE N N 15 131.85 . . . . . . A 148 PHE N . 19850 1 153 . 1 1 85 85 GLY H H 1 8.5 . . . . . . A 149 GLY H . 19850 1 154 . 1 1 85 85 GLY N N 15 110.7 . . . . . . A 149 GLY N . 19850 1 155 . 1 1 86 86 GLY H H 1 8.4 . . . . . . A 150 GLY H . 19850 1 156 . 1 1 86 86 GLY N N 15 110.25 . . . . . . A 150 GLY N . 19850 1 157 . 1 1 87 87 CYS H H 1 8.29 . . . . . . A 151 CYS H . 19850 1 158 . 1 1 87 87 CYS N N 15 110.39 . . . . . . A 151 CYS N . 19850 1 159 . 1 1 88 88 ASP H H 1 7.78 . . . . . . A 152 ASP H . 19850 1 160 . 1 1 88 88 ASP N N 15 116.73 . . . . . . A 152 ASP N . 19850 1 161 . 1 1 89 89 ILE H H 1 8.34 . . . . . . A 153 ILE H . 19850 1 162 . 1 1 89 89 ILE N N 15 119.81 . . . . . . A 153 ILE N . 19850 1 163 . 1 1 90 90 THR H H 1 7.68 . . . . . . A 154 THR H . 19850 1 164 . 1 1 90 90 THR N N 15 118.83 . . . . . . A 154 THR N . 19850 1 165 . 1 1 91 91 LEU H H 1 8.52 . . . . . . A 155 LEU H . 19850 1 166 . 1 1 91 91 LEU N N 15 121.77 . . . . . . A 155 LEU N . 19850 1 167 . 1 1 92 92 GLU H H 1 7.68 . . . . . . A 156 GLU H . 19850 1 168 . 1 1 92 92 GLU N N 15 118.83 . . . . . . A 156 GLU N . 19850 1 169 . 1 1 93 93 ALA H H 1 8.38 . . . . . . A 157 ALA H . 19850 1 170 . 1 1 93 93 ALA N N 15 122.34 . . . . . . A 157 ALA N . 19850 1 171 . 1 1 94 94 PHE H H 1 8.51 . . . . . . A 158 PHE H . 19850 1 172 . 1 1 94 94 PHE N N 15 122.21 . . . . . . A 158 PHE N . 19850 1 173 . 1 1 95 95 LYS H H 1 7.69 . . . . . . A 159 LYS H . 19850 1 174 . 1 1 95 95 LYS N N 15 120.09 . . . . . . A 159 LYS N . 19850 1 175 . 1 1 96 96 THR H H 1 8.09 . . . . . . A 160 THR H . 19850 1 176 . 1 1 96 96 THR N N 15 106.98 . . . . . . A 160 THR N . 19850 1 177 . 1 1 97 97 GLY H H 1 7.33 . . . . . . A 161 GLY H . 19850 1 178 . 1 1 97 97 GLY N N 15 109.4 . . . . . . A 161 GLY N . 19850 1 179 . 1 1 98 98 GLU H H 1 8.19 . . . . . . A 162 GLU H . 19850 1 180 . 1 1 98 98 GLU N N 15 123.47 . . . . . . A 162 GLU N . 19850 1 181 . 1 1 99 99 LEU H H 1 8.01 . . . . . . A 163 LEU H . 19850 1 182 . 1 1 99 99 LEU N N 15 120.2 . . . . . . A 163 LEU N . 19850 1 183 . 1 1 100 100 GLN H H 1 9.56 . . . . . . A 164 GLN H . 19850 1 184 . 1 1 100 100 GLN N N 15 119.21 . . . . . . A 164 GLN N . 19850 1 185 . 1 1 101 101 GLU H H 1 7.35 . . . . . . A 165 GLU H . 19850 1 186 . 1 1 101 101 GLU N N 15 116.92 . . . . . . A 165 GLU N . 19850 1 187 . 1 1 102 102 GLU H H 1 7.95 . . . . . . A 166 GLU H . 19850 1 188 . 1 1 102 102 GLU N N 15 119.99 . . . . . . A 166 GLU N . 19850 1 189 . 1 1 103 103 VAL H H 1 8.51 . . . . . . A 167 VAL H . 19850 1 190 . 1 1 103 103 VAL N N 15 118.92 . . . . . . A 167 VAL N . 19850 1 191 . 1 1 104 104 GLU H H 1 7.6 . . . . . . A 168 GLU H . 19850 1 192 . 1 1 104 104 GLU N N 15 118.37 . . . . . . A 168 GLU N . 19850 1 193 . 1 1 105 105 LYS H H 1 7.77 . . . . . . A 169 LYS H . 19850 1 194 . 1 1 105 105 LYS N N 15 118.65 . . . . . . A 169 LYS N . 19850 1 195 . 1 1 106 106 ALA H H 1 7.07 . . . . . . A 170 ALA H . 19850 1 196 . 1 1 106 106 ALA N N 15 121.09 . . . . . . A 170 ALA N . 19850 1 197 . 1 1 107 107 MET H H 1 8.14 . . . . . . A 171 MET H . 19850 1 198 . 1 1 107 107 MET N N 15 114.27 . . . . . . A 171 MET N . 19850 1 199 . 1 1 108 108 CYS H H 1 7.78 . . . . . . A 172 CYS H . 19850 1 200 . 1 1 108 108 CYS N N 15 116.73 . . . . . . A 172 CYS N . 19850 1 201 . 1 1 109 109 SER H H 1 7.58 . . . . . . A 173 SER H . 19850 1 202 . 1 1 109 109 SER N N 15 122.9 . . . . . . A 173 SER N . 19850 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_GRXS14-BOLA2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode GRXS14-BOLA2 _Assigned_chem_shift_list.Entry_ID 19850 _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 . _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 2 '2D 1H-15N HSQC' 2 $sample_2 . 19850 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 1 1 SER H H 1 7.98 . . . . . . . 65 SER H . 19850 2 2 . 1 1 1 1 SER N N 15 122.26 . . . . . . . 65 SER N . 19850 2 3 . 1 1 2 2 ALA H H 1 8.98 . . . . . . . 66 ALA H . 19850 2 4 . 1 1 2 2 ALA N N 15 120.13 . . . . . . . 66 ALA N . 19850 2 5 . 1 1 3 3 LEU H H 1 7.72 . . . . . . A 67 LEU H . 19850 2 6 . 1 1 3 3 LEU N N 15 117.71 . . . . . . A 67 LEU N . 19850 2 7 . 1 1 4 4 THR H H 1 7.72 . . . . . . A 68 THR H . 19850 2 8 . 1 1 4 4 THR N N 15 117.71 . . . . . . A 68 THR N . 19850 2 9 . 1 1 7 7 LEU H H 1 7.95 . . . . . . A 71 LEU H . 19850 2 10 . 1 1 7 7 LEU N N 15 121.36 . . . . . . A 71 LEU N . 19850 2 11 . 1 1 8 8 LYS H H 1 8.65 . . . . . . A 72 LYS H . 19850 2 12 . 1 1 8 8 LYS N N 15 119.99 . . . . . . A 72 LYS N . 19850 2 13 . 1 1 9 9 ASP H H 1 7.82 . . . . . . A 73 ASP H . 19850 2 14 . 1 1 9 9 ASP N N 15 115.48 . . . . . . A 73 ASP N . 19850 2 15 . 1 1 10 10 THR H H 1 7.88 . . . . . . A 74 THR H . 19850 2 16 . 1 1 10 10 THR N N 15 120.7 . . . . . . A 74 THR N . 19850 2 17 . 1 1 11 11 LEU H H 1 8.4 . . . . . . A 75 LEU H . 19850 2 18 . 1 1 11 11 LEU N N 15 121.9 . . . . . . A 75 LEU N . 19850 2 19 . 1 1 12 12 GLU H H 1 8.4 . . . . . . A 76 GLU H . 19850 2 20 . 1 1 12 12 GLU N N 15 119.29 . . . . . . A 76 GLU N . 19850 2 21 . 1 1 13 13 LYS H H 1 8.54 . . . . . . A 77 LYS H . 19850 2 22 . 1 1 13 13 LYS N N 15 118.74 . . . . . . A 77 LYS N . 19850 2 23 . 1 1 14 14 LEU H H 1 8.05 . . . . . . A 78 LEU H . 19850 2 24 . 1 1 14 14 LEU N N 15 121.26 . . . . . . A 78 LEU N . 19850 2 25 . 1 1 15 15 VAL H H 1 8.62 . . . . . . A 79 VAL H . 19850 2 26 . 1 1 15 15 VAL N N 15 112.75 . . . . . . A 79 VAL N . 19850 2 27 . 1 1 16 16 ASN H H 1 7.1 . . . . . . A 80 ASN H . 19850 2 28 . 1 1 16 16 ASN N N 15 114.5 . . . . . . A 80 ASN N . 19850 2 29 . 1 1 17 17 SER H H 1 7.59 . . . . . . A 81 SER H . 19850 2 30 . 1 1 17 17 SER N N 15 116.6 . . . . . . A 81 SER N . 19850 2 31 . 1 1 18 18 GLU H H 1 7.04 . . . . . . A 82 GLU H . 19850 2 32 . 1 1 18 18 GLU N N 15 118.56 . . . . . . A 82 GLU N . 19850 2 33 . 1 1 19 19 LYS H H 1 8.45 . . . . . . A 83 LYS H . 19850 2 34 . 1 1 19 19 LYS N N 15 121.93 . . . . . . A 83 LYS N . 19850 2 35 . 1 1 20 20 VAL H H 1 8.54 . . . . . . A 84 VAL H . 19850 2 36 . 1 1 20 20 VAL N N 15 118.74 . . . . . . A 84 VAL N . 19850 2 37 . 1 1 21 21 VAL H H 1 8.82 . . . . . . A 85 VAL H . 19850 2 38 . 1 1 21 21 VAL N N 15 127.01 . . . . . . A 85 VAL N . 19850 2 39 . 1 1 22 22 LEU H H 1 9.05 . . . . . . A 86 LEU H . 19850 2 40 . 1 1 22 22 LEU N N 15 128.39 . . . . . . A 86 LEU N . 19850 2 41 . 1 1 23 23 PHE H H 1 9.16 . . . . . . A 87 PHE H . 19850 2 42 . 1 1 23 23 PHE N N 15 126.39 . . . . . . A 87 PHE N . 19850 2 43 . 1 1 24 24 MET H H 1 9.51 . . . . . . A 88 MET H . 19850 2 44 . 1 1 24 24 MET N N 15 120.98 . . . . . . A 88 MET N . 19850 2 45 . 1 1 25 25 LYS H H 1 8.26 . . . . . . A 89 LYS H . 19850 2 46 . 1 1 25 25 LYS N N 15 118.35 . . . . . . A 89 LYS N . 19850 2 47 . 1 1 26 26 GLY H H 1 7.94 . . . . . . A 90 GLY H . 19850 2 48 . 1 1 26 26 GLY N N 15 116.39 . . . . . . A 90 GLY N . 19850 2 49 . 1 1 27 27 THR H H 1 7.07 . . . . . . A 91 THR H . 19850 2 50 . 1 1 27 27 THR N N 15 107.54 . . . . . . A 91 THR N . 19850 2 51 . 1 1 28 28 ARG H H 1 8.61 . . . . . . A 92 ARG H . 19850 2 52 . 1 1 28 28 ARG N N 15 117.18 . . . . . . A 92 ARG N . 19850 2 53 . 1 1 29 29 ASP H H 1 7.63 . . . . . . A 93 ASP H . 19850 2 54 . 1 1 29 29 ASP N N 15 115.16 . . . . . . A 93 ASP N . 19850 2 55 . 1 1 30 30 PHE H H 1 7.41 . . . . . . A 94 PHE H . 19850 2 56 . 1 1 30 30 PHE N N 15 118.94 . . . . . . A 94 PHE N . 19850 2 57 . 1 1 32 32 MET H H 1 8.57 . . . . . . A 96 MET H . 19850 2 58 . 1 1 32 32 MET N N 15 120.11 . . . . . . A 96 MET N . 19850 2 59 . 1 1 33 33 CYS H H 1 7.31 . . . . . . A 97 CYS H . 19850 2 60 . 1 1 33 33 CYS N N 15 117.77 . . . . . . A 97 CYS N . 19850 2 61 . 1 1 35 35 PHE H H 1 6.78 . . . . . . A 99 PHE H . 19850 2 62 . 1 1 35 35 PHE N N 15 116.36 . . . . . . A 99 PHE N . 19850 2 63 . 1 1 36 36 SER H H 1 8.98 . . . . . . A 100 SER H . 19850 2 64 . 1 1 36 36 SER N N 15 120.13 . . . . . . A 100 SER N . 19850 2 65 . 1 1 37 37 ASN H H 1 8.54 . . . . . . A 101 ASN H . 19850 2 66 . 1 1 37 37 ASN N N 15 118.74 . . . . . . A 101 ASN N . 19850 2 67 . 1 1 38 38 THR H H 1 8.24 . . . . . . A 102 THR H . 19850 2 68 . 1 1 38 38 THR N N 15 115.69 . . . . . . A 102 THR N . 19850 2 69 . 1 1 39 39 VAL H H 1 7.31 . . . . . . A 103 VAL H . 19850 2 70 . 1 1 39 39 VAL N N 15 117.77 . . . . . . A 103 VAL N . 19850 2 71 . 1 1 40 40 VAL H H 1 8.04 . . . . . . A 104 VAL H . 19850 2 72 . 1 1 40 40 VAL N N 15 119.67 . . . . . . A 104 VAL N . 19850 2 73 . 1 1 41 41 GLN H H 1 8.13 . . . . . . A 105 GLN H . 19850 2 74 . 1 1 41 41 GLN N N 15 116.23 . . . . . . A 105 GLN N . 19850 2 75 . 1 1 42 42 ILE H H 1 7.66 . . . . . . A 106 ILE H . 19850 2 76 . 1 1 42 42 ILE N N 15 121.05 . . . . . . A 106 ILE N . 19850 2 77 . 1 1 43 43 LEU H H 1 7.53 . . . . . . A 107 LEU H . 19850 2 78 . 1 1 43 43 LEU N N 15 117.76 . . . . . . A 107 LEU N . 19850 2 79 . 1 1 44 44 LYS H H 1 8.54 . . . . . . A 108 LYS H . 19850 2 80 . 1 1 44 44 LYS N N 15 118.74 . . . . . . A 108 LYS N . 19850 2 81 . 1 1 45 45 ASN H H 1 8 . . . . . . A 109 ASN H . 19850 2 82 . 1 1 45 45 ASN N N 15 119.54 . . . . . . A 109 ASN N . 19850 2 83 . 1 1 46 46 LEU H H 1 7.62 . . . . . . A 110 LEU H . 19850 2 84 . 1 1 46 46 LEU N N 15 118.74 . . . . . . A 110 LEU N . 19850 2 85 . 1 1 47 47 ASN H H 1 7.89 . . . . . . A 111 ASN H . 19850 2 86 . 1 1 47 47 ASN N N 15 115.55 . . . . . . A 111 ASN N . 19850 2 87 . 1 1 48 48 VAL H H 1 7.36 . . . . . . A 112 VAL H . 19850 2 88 . 1 1 48 48 VAL N N 15 114.89 . . . . . . A 112 VAL N . 19850 2 89 . 1 1 50 50 PHE H H 1 7.97 . . . . . . A 114 PHE H . 19850 2 90 . 1 1 50 50 PHE N N 15 115.77 . . . . . . A 114 PHE N . 19850 2 91 . 1 1 51 51 GLU H H 1 7.77 . . . . . . A 115 GLU H . 19850 2 92 . 1 1 51 51 GLU N N 15 122.81 . . . . . . A 115 GLU N . 19850 2 93 . 1 1 52 52 ASP H H 1 9.05 . . . . . . A 116 ASP H . 19850 2 94 . 1 1 52 52 ASP N N 15 123.23 . . . . . . A 116 ASP N . 19850 2 95 . 1 1 53 53 VAL H H 1 8.75 . . . . . . A 117 VAL H . 19850 2 96 . 1 1 53 53 VAL N N 15 123.76 . . . . . . A 117 VAL N . 19850 2 97 . 1 1 54 54 ASN H H 1 8.58 . . . . . . A 118 ASN H . 19850 2 98 . 1 1 54 54 ASN N N 15 125.28 . . . . . . A 118 ASN N . 19850 2 99 . 1 1 55 55 ILE H H 1 8.98 . . . . . . A 119 ILE H . 19850 2 100 . 1 1 55 55 ILE N N 15 120.13 . . . . . . A 119 ILE N . 19850 2 101 . 1 1 56 56 LEU H H 1 8.02 . . . . . . A 120 LEU H . 19850 2 102 . 1 1 56 56 LEU N N 15 118.29 . . . . . . A 120 LEU N . 19850 2 103 . 1 1 57 57 GLU H H 1 7.18 . . . . . . A 121 GLU H . 19850 2 104 . 1 1 57 57 GLU N N 15 113.56 . . . . . . A 121 GLU N . 19850 2 105 . 1 1 58 58 ASN H H 1 7.75 . . . . . . A 122 ASN H . 19850 2 106 . 1 1 58 58 ASN N N 15 113.33 . . . . . . A 122 ASN N . 19850 2 107 . 1 1 59 59 GLU H H 1 8.17 . . . . . . A 123 GLU H . 19850 2 108 . 1 1 59 59 GLU N N 15 114.27 . . . . . . A 123 GLU N . 19850 2 109 . 1 1 60 60 MET H H 1 8.2 . . . . . . A 124 MET H . 19850 2 110 . 1 1 60 60 MET N N 15 119.96 . . . . . . A 124 MET N . 19850 2 111 . 1 1 61 61 LEU H H 1 7.51 . . . . . . A 125 LEU H . 19850 2 112 . 1 1 61 61 LEU N N 15 119.48 . . . . . . A 125 LEU N . 19850 2 113 . 1 1 62 62 ARG H H 1 7.88 . . . . . . A 126 ARG H . 19850 2 114 . 1 1 62 62 ARG N N 15 118.06 . . . . . . A 126 ARG N . 19850 2 115 . 1 1 63 63 GLN H H 1 7.69 . . . . . . A 127 GLN H . 19850 2 116 . 1 1 63 63 GLN N N 15 112.27 . . . . . . A 127 GLN N . 19850 2 117 . 1 1 64 64 GLY H H 1 8.4 . . . . . . A 128 GLY H . 19850 2 118 . 1 1 64 64 GLY N N 15 107.09 . . . . . . A 128 GLY N . 19850 2 119 . 1 1 65 65 LEU H H 1 8.67 . . . . . . A 129 LEU H . 19850 2 120 . 1 1 65 65 LEU N N 15 122.52 . . . . . . A 129 LEU N . 19850 2 121 . 1 1 66 66 LYS H H 1 7.31 . . . . . . A 130 LYS H . 19850 2 122 . 1 1 66 66 LYS N N 15 117.77 . . . . . . A 130 LYS N . 19850 2 123 . 1 1 67 67 GLU H H 1 6.88 . . . . . . A 131 GLU H . 19850 2 124 . 1 1 67 67 GLU N N 15 116.49 . . . . . . A 131 GLU N . 19850 2 125 . 1 1 68 68 TYR H H 1 9.05 . . . . . . A 132 TYR H . 19850 2 126 . 1 1 68 68 TYR N N 15 122.37 . . . . . . A 132 TYR N . 19850 2 127 . 1 1 69 69 SER H H 1 8.63 . . . . . . A 133 SER H . 19850 2 128 . 1 1 69 69 SER N N 15 111.19 . . . . . . A 133 SER N . 19850 2 129 . 1 1 70 70 ASN H H 1 6.66 . . . . . . A 134 ASN H . 19850 2 130 . 1 1 70 70 ASN N N 15 111.66 . . . . . . A 134 ASN N . 19850 2 131 . 1 1 71 71 TRP H H 1 9.7 . . . . . . A 135 TRP H . 19850 2 132 . 1 1 71 71 TRP N N 15 128.06 . . . . . . A 135 TRP N . 19850 2 133 . 1 1 73 73 THR H H 1 6.3 . . . . . . A 137 THR H . 19850 2 134 . 1 1 73 73 THR N N 15 106.58 . . . . . . A 137 THR N . 19850 2 135 . 1 1 76 76 GLN H H 1 9.36 . . . . . . A 140 GLN H . 19850 2 136 . 1 1 76 76 GLN N N 15 117.96 . . . . . . A 140 GLN N . 19850 2 137 . 1 1 77 77 LEU H H 1 8.43 . . . . . . A 141 LEU H . 19850 2 138 . 1 1 77 77 LEU N N 15 126.34 . . . . . . A 141 LEU N . 19850 2 139 . 1 1 78 78 TYR H H 1 9.79 . . . . . . A 142 TYR H . 19850 2 140 . 1 1 78 78 TYR N N 15 130.14 . . . . . . A 142 TYR N . 19850 2 141 . 1 1 79 79 ILE H H 1 8.51 . . . . . . A 143 ILE H . 19850 2 142 . 1 1 79 79 ILE N N 15 118.5 . . . . . . A 143 ILE N . 19850 2 143 . 1 1 80 80 GLY H H 1 10.17 . . . . . . A 144 GLY H . 19850 2 144 . 1 1 80 80 GLY N N 15 118.47 . . . . . . A 144 GLY N . 19850 2 145 . 1 1 81 81 GLY H H 1 9.5 . . . . . . A 145 GLY H . 19850 2 146 . 1 1 81 81 GLY N N 15 106.38 . . . . . . A 145 GLY N . 19850 2 147 . 1 1 82 82 GLU H H 1 7.88 . . . . . . A 146 GLU H . 19850 2 148 . 1 1 82 82 GLU N N 15 118.06 . . . . . . A 146 GLU N . 19850 2 149 . 1 1 83 83 PHE H H 1 8.97 . . . . . . A 147 PHE H . 19850 2 150 . 1 1 83 83 PHE N N 15 127.14 . . . . . . A 147 PHE N . 19850 2 151 . 1 1 84 84 PHE H H 1 8.98 . . . . . . A 148 PHE H . 19850 2 152 . 1 1 84 84 PHE N N 15 130.62 . . . . . . A 148 PHE N . 19850 2 153 . 1 1 85 85 GLY H H 1 8.5 . . . . . . A 149 GLY H . 19850 2 154 . 1 1 85 85 GLY N N 15 110.71 . . . . . . A 149 GLY N . 19850 2 155 . 1 1 86 86 GLY H H 1 8.42 . . . . . . A 150 GLY H . 19850 2 156 . 1 1 86 86 GLY N N 15 110.33 . . . . . . A 150 GLY N . 19850 2 157 . 1 1 87 87 CYS H H 1 8.3 . . . . . . A 151 CYS H . 19850 2 158 . 1 1 87 87 CYS N N 15 110.42 . . . . . . A 151 CYS N . 19850 2 159 . 1 1 88 88 ASP H H 1 7.78 . . . . . . A 152 ASP H . 19850 2 160 . 1 1 88 88 ASP N N 15 116.74 . . . . . . A 152 ASP N . 19850 2 161 . 1 1 89 89 ILE H H 1 8.4 . . . . . . A 153 ILE H . 19850 2 162 . 1 1 89 89 ILE N N 15 119.29 . . . . . . A 153 ILE N . 19850 2 163 . 1 1 90 90 THR H H 1 7.69 . . . . . . A 154 THR H . 19850 2 164 . 1 1 90 90 THR N N 15 118.86 . . . . . . A 154 THR N . 19850 2 165 . 1 1 91 91 LEU H H 1 8.49 . . . . . . A 155 LEU H . 19850 2 166 . 1 1 91 91 LEU N N 15 121.28 . . . . . . A 155 LEU N . 19850 2 167 . 1 1 92 92 GLU H H 1 7.68 . . . . . . A 156 GLU H . 19850 2 168 . 1 1 92 92 GLU N N 15 119.33 . . . . . . A 156 GLU N . 19850 2 169 . 1 1 93 93 ALA H H 1 8.4 . . . . . . A 157 ALA H . 19850 2 170 . 1 1 93 93 ALA N N 15 121.9 . . . . . . A 157 ALA N . 19850 2 171 . 1 1 94 94 PHE H H 1 8.45 . . . . . . A 158 PHE H . 19850 2 172 . 1 1 94 94 PHE N N 15 121.93 . . . . . . A 158 PHE N . 19850 2 173 . 1 1 95 95 LYS H H 1 7.69 . . . . . . A 159 LYS H . 19850 2 174 . 1 1 95 95 LYS N N 15 120.6 . . . . . . A 159 LYS N . 19850 2 175 . 1 1 96 96 THR H H 1 8.13 . . . . . . A 160 THR H . 19850 2 176 . 1 1 96 96 THR N N 15 106.9 . . . . . . A 160 THR N . 19850 2 177 . 1 1 97 97 GLY H H 1 7.39 . . . . . . A 161 GLY H . 19850 2 178 . 1 1 97 97 GLY N N 15 109.55 . . . . . . A 161 GLY N . 19850 2 179 . 1 1 98 98 GLU H H 1 8.24 . . . . . . A 162 GLU H . 19850 2 180 . 1 1 98 98 GLU N N 15 123.75 . . . . . . A 162 GLU N . 19850 2 181 . 1 1 99 99 LEU H H 1 8.14 . . . . . . A 163 LEU H . 19850 2 182 . 1 1 99 99 LEU N N 15 120.34 . . . . . . A 163 LEU N . 19850 2 183 . 1 1 100 100 GLN H H 1 9.51 . . . . . . A 164 GLN H . 19850 2 184 . 1 1 100 100 GLN N N 15 120.98 . . . . . . A 164 GLN N . 19850 2 185 . 1 1 101 101 GLU H H 1 7.27 . . . . . . A 165 GLU H . 19850 2 186 . 1 1 101 101 GLU N N 15 116.33 . . . . . . A 165 GLU N . 19850 2 187 . 1 1 102 102 GLU H H 1 7.98 . . . . . . A 166 GLU H . 19850 2 188 . 1 1 102 102 GLU N N 15 119.71 . . . . . . A 166 GLU N . 19850 2 189 . 1 1 103 103 VAL H H 1 8.54 . . . . . . A 167 VAL H . 19850 2 190 . 1 1 103 103 VAL N N 15 118.74 . . . . . . A 167 VAL N . 19850 2 191 . 1 1 104 104 GLU H H 1 7.62 . . . . . . A 168 GLU H . 19850 2 192 . 1 1 104 104 GLU N N 15 118.74 . . . . . . A 168 GLU N . 19850 2 193 . 1 1 105 105 LYS H H 1 7.77 . . . . . . A 169 LYS H . 19850 2 194 . 1 1 105 105 LYS N N 15 118.65 . . . . . . A 169 LYS N . 19850 2 195 . 1 1 106 106 ALA H H 1 7.07 . . . . . . A 170 ALA H . 19850 2 196 . 1 1 106 106 ALA N N 15 121.09 . . . . . . A 170 ALA N . 19850 2 197 . 1 1 107 107 MET H H 1 8.17 . . . . . . A 171 MET H . 19850 2 198 . 1 1 107 107 MET N N 15 114.27 . . . . . . A 171 MET N . 19850 2 199 . 1 1 108 108 CYS H H 1 7.78 . . . . . . A 172 CYS H . 19850 2 200 . 1 1 108 108 CYS N N 15 116.74 . . . . . . A 172 CYS N . 19850 2 201 . 1 1 109 109 SER H H 1 7.57 . . . . . . A 173 SER H . 19850 2 202 . 1 1 109 109 SER N N 15 122.89 . . . . . . A 173 SER N . 19850 2 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_BOLA2_assigned_chem_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode BOLA2_assigned_chem_shifts _Assigned_chem_shift_list.Entry_ID 19850 _Assigned_chem_shift_list.ID 3 _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 4 '2D 1H-15N HSQC' 4 $sample_4 . 19850 3 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 1 1 VAL H H 1 8.67 . . . . . . B 2 VAL H . 19850 3 2 . 2 2 1 1 VAL N N 15 120.45 . . . . . . B 2 VAL N . 19850 3 3 . 2 2 2 2 THR H H 1 7.68 . . . . . . B 3 THR H . 19850 3 4 . 2 2 2 2 THR N N 15 113.40 . . . . . . B 3 THR N . 19850 3 5 . 2 2 3 3 LYS H H 1 9.10 . . . . . . B 4 LYS H . 19850 3 6 . 2 2 3 3 LYS N N 15 121.99 . . . . . . B 4 LYS N . 19850 3 7 . 2 2 4 4 GLU H H 1 8.78 . . . . . . B 5 GLU H . 19850 3 8 . 2 2 4 4 GLU N N 15 117.64 . . . . . . B 5 GLU N . 19850 3 9 . 2 2 5 5 GLN H H 1 7.81 . . . . . . B 6 GLN H . 19850 3 10 . 2 2 5 5 GLN N N 15 122.08 . . . . . . B 6 GLN N . 19850 3 11 . 2 2 6 6 VAL H H 1 7.38 . . . . . . B 7 VAL H . 19850 3 12 . 2 2 6 6 VAL N N 15 120.01 . . . . . . B 7 VAL N . 19850 3 13 . 2 2 7 7 GLU H H 1 8.46 . . . . . . B 8 GLU H . 19850 3 14 . 2 2 7 7 GLU N N 15 117.25 . . . . . . B 8 GLU N . 19850 3 15 . 2 2 8 8 ALA H H 1 8.26 . . . . . . B 9 ALA H . 19850 3 16 . 2 2 8 8 ALA N N 15 114.29 . . . . . . B 9 ALA N . 19850 3 17 . 2 2 9 9 SER H H 1 8.28 . . . . . . B 10 SER H . 19850 3 18 . 2 2 9 9 SER N N 15 114.79 . . . . . . B 10 SER N . 19850 3 19 . 2 2 10 10 LEU H H 1 7.92 . . . . . . B 11 LEU H . 19850 3 20 . 2 2 10 10 LEU N N 15 118.29 . . . . . . B 11 LEU N . 19850 3 21 . 2 2 11 11 THR H H 1 8.38 . . . . . . B 12 THR H . 19850 3 22 . 2 2 11 11 THR N N 15 116.37 . . . . . . B 12 THR N . 19850 3 23 . 2 2 12 12 SER H H 1 7.96 . . . . . . B 13 SER H . 19850 3 24 . 2 2 12 12 SER N N 15 115.12 . . . . . . B 13 SER N . 19850 3 25 . 2 2 13 13 LYS H H 1 7.41 . . . . . . B 14 LYS H . 19850 3 26 . 2 2 13 13 LYS N N 15 116.04 . . . . . . B 14 LYS N . 19850 3 27 . 2 2 14 14 LEU H H 1 7.79 . . . . . . B 15 LEU H . 19850 3 28 . 2 2 14 14 LEU N N 15 114.41 . . . . . . B 15 LEU N . 19850 3 29 . 2 2 15 15 LYS H H 1 7.37 . . . . . . B 16 LYS H . 19850 3 30 . 2 2 15 15 LYS N N 15 116.47 . . . . . . B 16 LYS N . 19850 3 31 . 2 2 17 17 ILE H H 1 7.87 . . . . . . B 18 ILE H . 19850 3 32 . 2 2 17 17 ILE N N 15 116.66 . . . . . . B 18 ILE N . 19850 3 33 . 2 2 18 18 HIS H H 1 6.90 . . . . . . B 19 HIS H . 19850 3 34 . 2 2 18 18 HIS N N 15 118.50 . . . . . . B 19 HIS N . 19850 3 35 . 2 2 19 19 LEU H H 1 7.57 . . . . . . B 20 LEU H . 19850 3 36 . 2 2 19 19 LEU N N 15 128.24 . . . . . . B 20 LEU N . 19850 3 37 . 2 2 20 20 GLU H H 1 8.63 . . . . . . B 21 GLU H . 19850 3 38 . 2 2 20 20 GLU N N 15 126.08 . . . . . . B 21 GLU N . 19850 3 39 . 2 2 21 21 VAL H H 1 8.91 . . . . . . B 22 VAL H . 19850 3 40 . 2 2 21 21 VAL N N 15 127.08 . . . . . . B 22 VAL N . 19850 3 41 . 2 2 22 22 ILE H H 1 9.05 . . . . . . B 23 ILE H . 19850 3 42 . 2 2 22 22 ILE N N 15 126.13 . . . . . . B 23 ILE N . 19850 3 43 . 2 2 23 23 ASP H H 1 9.09 . . . . . . B 24 ASP H . 19850 3 44 . 2 2 23 23 ASP N N 15 127.04 . . . . . . B 24 ASP N . 19850 3 45 . 2 2 24 24 ILE H H 1 7.87 . . . . . . B 25 ILE H . 19850 3 46 . 2 2 24 24 ILE N N 15 123.13 . . . . . . B 25 ILE N . 19850 3 47 . 2 2 25 25 SER H H 1 9.11 . . . . . . B 26 SER H . 19850 3 48 . 2 2 25 25 SER N N 15 119.35 . . . . . . B 26 SER N . 19850 3 49 . 2 2 26 26 GLY H H 1 8.36 . . . . . . B 27 GLY H . 19850 3 50 . 2 2 26 26 GLY N N 15 111.92 . . . . . . B 27 GLY N . 19850 3 51 . 2 2 27 27 GLY H H 1 7.83 . . . . . . B 28 GLY H . 19850 3 52 . 2 2 27 27 GLY N N 15 107.07 . . . . . . B 28 GLY N . 19850 3 53 . 2 2 28 28 CYS H H 1 7.33 . . . . . . B 29 CYS H . 19850 3 54 . 2 2 28 28 CYS N N 15 116.90 . . . . . . B 29 CYS N . 19850 3 55 . 2 2 29 29 GLY H H 1 8.86 . . . . . . B 30 GLY H . 19850 3 56 . 2 2 29 29 GLY N N 15 111.52 . . . . . . B 30 GLY N . 19850 3 57 . 2 2 30 30 SER H H 1 8.18 . . . . . . B 31 SER H . 19850 3 58 . 2 2 30 30 SER N N 15 111.93 . . . . . . B 31 SER N . 19850 3 59 . 2 2 31 31 SER H H 1 7.21 . . . . . . B 32 SER H . 19850 3 60 . 2 2 31 31 SER N N 15 116.19 . . . . . . B 32 SER N . 19850 3 61 . 2 2 32 32 PHE H H 1 7.93 . . . . . . B 33 PHE H . 19850 3 62 . 2 2 32 32 PHE N N 15 118.46 . . . . . . B 33 PHE N . 19850 3 63 . 2 2 33 33 GLU H H 1 9.37 . . . . . . B 34 GLU H . 19850 3 64 . 2 2 33 33 GLU N N 15 122.21 . . . . . . B 34 GLU N . 19850 3 65 . 2 2 34 34 VAL H H 1 8.72 . . . . . . B 35 VAL H . 19850 3 66 . 2 2 34 34 VAL N N 15 118.45 . . . . . . B 35 VAL N . 19850 3 67 . 2 2 35 35 GLU H H 1 8.80 . . . . . . B 36 GLU H . 19850 3 68 . 2 2 35 35 GLU N N 15 123.69 . . . . . . B 36 GLU N . 19850 3 69 . 2 2 36 36 VAL H H 1 8.44 . . . . . . B 37 VAL H . 19850 3 70 . 2 2 36 36 VAL N N 15 119.95 . . . . . . B 37 VAL N . 19850 3 71 . 2 2 37 37 VAL H H 1 8.14 . . . . . . B 38 VAL H . 19850 3 72 . 2 2 37 37 VAL N N 15 127.96 . . . . . . B 38 VAL N . 19850 3 73 . 2 2 38 38 SER H H 1 8.20 . . . . . . B 39 SER H . 19850 3 74 . 2 2 38 38 SER N N 15 117.33 . . . . . . B 39 SER N . 19850 3 75 . 2 2 39 39 GLU H H 1 9.83 . . . . . . B 40 GLU H . 19850 3 76 . 2 2 39 39 GLU N N 15 131.47 . . . . . . B 40 GLU N . 19850 3 77 . 2 2 40 40 GLN H H 1 8.16 . . . . . . B 41 GLN H . 19850 3 78 . 2 2 40 40 GLN N N 15 117.52 . . . . . . B 41 GLN N . 19850 3 79 . 2 2 41 41 PHE H H 1 6.83 . . . . . . B 42 PHE H . 19850 3 80 . 2 2 41 41 PHE N N 15 113.28 . . . . . . B 42 PHE N . 19850 3 81 . 2 2 42 42 GLU H H 1 7.41 . . . . . . B 43 GLU H . 19850 3 82 . 2 2 42 42 GLU N N 15 121.16 . . . . . . B 43 GLU N . 19850 3 83 . 2 2 43 43 GLY H H 1 8.96 . . . . . . B 44 GLY H . 19850 3 84 . 2 2 43 43 GLY N N 15 114.95 . . . . . . B 44 GLY N . 19850 3 85 . 2 2 44 44 LYS H H 1 7.87 . . . . . . B 45 LYS H . 19850 3 86 . 2 2 44 44 LYS N N 15 118.69 . . . . . . B 45 LYS N . 19850 3 87 . 2 2 45 45 ARG H H 1 9.23 . . . . . . B 46 ARG H . 19850 3 88 . 2 2 45 45 ARG N N 15 125.42 . . . . . . B 46 ARG N . 19850 3 89 . 2 2 46 46 LEU H H 1 6.91 . . . . . . B 47 LEU H . 19850 3 90 . 2 2 46 46 LEU N N 15 118.20 . . . . . . B 47 LEU N . 19850 3 91 . 2 2 47 47 LEU H H 1 8.53 . . . . . . B 48 LEU H . 19850 3 92 . 2 2 47 47 LEU N N 15 115.69 . . . . . . B 48 LEU N . 19850 3 93 . 2 2 48 48 GLU H H 1 8.21 . . . . . . B 49 GLU H . 19850 3 94 . 2 2 48 48 GLU N N 15 120.89 . . . . . . B 49 GLU N . 19850 3 95 . 2 2 49 49 ARG H H 1 7.93 . . . . . . B 50 ARG H . 19850 3 96 . 2 2 49 49 ARG N N 15 119.72 . . . . . . B 50 ARG N . 19850 3 97 . 2 2 50 50 HIS H H 1 8.25 . . . . . . B 51 HIS H . 19850 3 98 . 2 2 50 50 HIS N N 15 117.12 . . . . . . B 51 HIS N . 19850 3 99 . 2 2 51 51 ARG H H 1 7.93 . . . . . . B 52 ARG H . 19850 3 100 . 2 2 51 51 ARG N N 15 120.36 . . . . . . B 52 ARG N . 19850 3 101 . 2 2 52 52 MET H H 1 8.11 . . . . . . B 53 MET H . 19850 3 102 . 2 2 52 52 MET N N 15 120.72 . . . . . . B 53 MET N . 19850 3 103 . 2 2 53 53 VAL H H 1 8.10 . . . . . . B 54 VAL H . 19850 3 104 . 2 2 53 53 VAL N N 15 119.09 . . . . . . B 54 VAL N . 19850 3 105 . 2 2 54 54 ASN H H 1 7.97 . . . . . . B 55 ASN H . 19850 3 106 . 2 2 54 54 ASN N N 15 116.86 . . . . . . B 55 ASN N . 19850 3 107 . 2 2 55 55 ALA H H 1 8.52 . . . . . . B 56 ALA H . 19850 3 108 . 2 2 55 55 ALA N N 15 121.14 . . . . . . B 56 ALA N . 19850 3 109 . 2 2 56 56 ALA H H 1 7.56 . . . . . . B 57 ALA H . 19850 3 110 . 2 2 56 56 ALA N N 15 121.20 . . . . . . B 57 ALA N . 19850 3 111 . 2 2 57 57 LEU H H 1 6.93 . . . . . . B 58 LEU H . 19850 3 112 . 2 2 57 57 LEU N N 15 116.13 . . . . . . B 58 LEU N . 19850 3 113 . 2 2 58 58 GLU H H 1 6.96 . . . . . . B 59 GLU H . 19850 3 114 . 2 2 58 58 GLU N N 15 120.17 . . . . . . B 59 GLU N . 19850 3 115 . 2 2 59 59 GLU H H 1 8.55 . . . . . . B 60 GLU H . 19850 3 116 . 2 2 59 59 GLU N N 15 116.27 . . . . . . B 60 GLU N . 19850 3 117 . 2 2 60 60 GLU H H 1 8.97 . . . . . . B 61 GLU H . 19850 3 118 . 2 2 60 60 GLU N N 15 121.85 . . . . . . B 61 GLU N . 19850 3 119 . 2 2 61 61 MET H H 1 8.70 . . . . . . B 62 MET H . 19850 3 120 . 2 2 61 61 MET N N 15 115.95 . . . . . . B 62 MET N . 19850 3 121 . 2 2 62 62 LYS H H 1 7.37 . . . . . . B 63 LYS H . 19850 3 122 . 2 2 62 62 LYS N N 15 116.98 . . . . . . B 63 LYS N . 19850 3 123 . 2 2 63 63 GLU H H 1 7.72 . . . . . . B 64 GLU H . 19850 3 124 . 2 2 63 63 GLU N N 15 115.49 . . . . . . B 64 GLU N . 19850 3 125 . 2 2 64 64 ILE H H 1 7.40 . . . . . . B 65 ILE H . 19850 3 126 . 2 2 64 64 ILE N N 15 120.57 . . . . . . B 65 ILE N . 19850 3 127 . 2 2 65 65 HIS H H 1 9.12 . . . . . . B 66 HIS H . 19850 3 128 . 2 2 65 65 HIS N N 15 126.62 . . . . . . B 66 HIS N . 19850 3 129 . 2 2 66 66 ALA H H 1 7.40 . . . . . . B 67 ALA H . 19850 3 130 . 2 2 66 66 ALA N N 15 120.57 . . . . . . B 67 ALA N . 19850 3 131 . 2 2 67 67 LEU H H 1 8.50 . . . . . . B 68 LEU H . 19850 3 132 . 2 2 67 67 LEU N N 15 124.53 . . . . . . B 68 LEU N . 19850 3 133 . 2 2 68 68 SER H H 1 8.80 . . . . . . B 69 SER H . 19850 3 134 . 2 2 68 68 SER N N 15 122.06 . . . . . . B 69 SER N . 19850 3 135 . 2 2 69 69 ILE H H 1 8.85 . . . . . . B 70 ILE H . 19850 3 136 . 2 2 69 69 ILE N N 15 129.11 . . . . . . B 70 ILE N . 19850 3 137 . 2 2 70 70 LYS H H 1 8.64 . . . . . . B 71 LYS H . 19850 3 138 . 2 2 70 70 LYS N N 15 130.03 . . . . . . B 71 LYS N . 19850 3 139 . 2 2 71 71 LYS H H 1 7.16 . . . . . . B 72 LYS H . 19850 3 140 . 2 2 71 71 LYS N N 15 113.93 . . . . . . B 72 LYS N . 19850 3 141 . 2 2 72 72 ALA H H 1 8.79 . . . . . . B 73 ALA H . 19850 3 142 . 2 2 72 72 ALA N N 15 129.18 . . . . . . B 73 ALA N . 19850 3 143 . 2 2 73 73 GLN H H 1 8.29 . . . . . . B 74 GLN H . 19850 3 144 . 2 2 73 73 GLN N N 15 120.84 . . . . . . B 74 GLN N . 19850 3 145 . 2 2 74 74 THR H H 1 8.84 . . . . . . B 75 THR H . 19850 3 146 . 2 2 74 74 THR N N 15 111.78 . . . . . . B 75 THR N . 19850 3 147 . 2 2 76 76 GLN H H 1 7.45 . . . . . . B 77 GLN H . 19850 3 148 . 2 2 76 76 GLN N N 15 116.81 . . . . . . B 77 GLN N . 19850 3 149 . 2 2 77 77 GLN H H 1 8.42 . . . . . . B 78 GLN H . 19850 3 150 . 2 2 77 77 GLN N N 15 114.28 . . . . . . B 78 GLN N . 19850 3 151 . 2 2 78 78 TRP H H 1 7.63 . . . . . . B 79 TRP H . 19850 3 152 . 2 2 78 78 TRP N N 15 120.58 . . . . . . B 79 TRP N . 19850 3 153 . 2 2 79 79 LYS H H 1 7.72 . . . . . . B 80 LYS H . 19850 3 154 . 2 2 79 79 LYS N N 15 120.81 . . . . . . B 80 LYS N . 19850 3 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_BOLA2-GRXS14 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode BOLA2-GRXS14 _Assigned_chem_shift_list.Entry_ID 19850 _Assigned_chem_shift_list.ID 4 _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' 1 $sample_1 . 19850 4 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 1 1 VAL H H 1 8.67 . . . . . . B 2 VAL H . 19850 4 2 . 2 2 1 1 VAL N N 15 120.41 . . . . . . B 2 VAL N . 19850 4 3 . 2 2 2 2 THR H H 1 7.68 . . . . . . B 3 THR H . 19850 4 4 . 2 2 2 2 THR N N 15 113.40 . . . . . . B 3 THR N . 19850 4 5 . 2 2 3 3 LYS H H 1 9.11 . . . . . . B 4 LYS H . 19850 4 6 . 2 2 3 3 LYS N N 15 121.99 . . . . . . B 4 LYS N . 19850 4 7 . 2 2 4 4 GLU H H 1 8.78 . . . . . . B 5 GLU H . 19850 4 8 . 2 2 4 4 GLU N N 15 117.64 . . . . . . B 5 GLU N . 19850 4 9 . 2 2 5 5 GLN H H 1 7.81 . . . . . . B 6 GLN H . 19850 4 10 . 2 2 5 5 GLN N N 15 122.08 . . . . . . B 6 GLN N . 19850 4 11 . 2 2 6 6 VAL H H 1 7.40 . . . . . . B 7 VAL H . 19850 4 12 . 2 2 6 6 VAL N N 15 120.00 . . . . . . B 7 VAL N . 19850 4 13 . 2 2 7 7 GLU H H 1 8.46 . . . . . . B 8 GLU H . 19850 4 14 . 2 2 7 7 GLU N N 15 117.25 . . . . . . B 8 GLU N . 19850 4 15 . 2 2 8 8 ALA H H 1 8.25 . . . . . . B 9 ALA H . 19850 4 16 . 2 2 8 8 ALA N N 15 124.29 . . . . . . B 9 ALA N . 19850 4 17 . 2 2 9 9 SER H H 1 8.28 . . . . . . B 10 SER H . 19850 4 18 . 2 2 9 9 SER N N 15 114.79 . . . . . . B 10 SER N . 19850 4 19 . 2 2 10 10 LEU H H 1 7.91 . . . . . . B 11 LEU H . 19850 4 20 . 2 2 10 10 LEU N N 15 118.30 . . . . . . B 11 LEU N . 19850 4 21 . 2 2 11 11 THR H H 1 8.38 . . . . . . B 12 THR H . 19850 4 22 . 2 2 11 11 THR N N 15 116.37 . . . . . . B 12 THR N . 19850 4 23 . 2 2 12 12 SER H H 1 7.96 . . . . . . B 13 SER H . 19850 4 24 . 2 2 12 12 SER N N 15 115.12 . . . . . . B 13 SER N . 19850 4 25 . 2 2 13 13 LYS H H 1 7.39 . . . . . . B 14 LYS H . 19850 4 26 . 2 2 13 13 LYS N N 15 116.01 . . . . . . B 14 LYS N . 19850 4 27 . 2 2 14 14 LEU H H 1 7.78 . . . . . . B 15 LEU H . 19850 4 28 . 2 2 14 14 LEU N N 15 114.34 . . . . . . B 15 LEU N . 19850 4 29 . 2 2 15 15 LYS H H 1 7.37 . . . . . . B 16 LYS H . 19850 4 30 . 2 2 15 15 LYS N N 15 116.47 . . . . . . B 16 LYS N . 19850 4 31 . 2 2 17 17 ILE H H 1 7.87 . . . . . . B 18 ILE H . 19850 4 32 . 2 2 17 17 ILE N N 15 116.76 . . . . . . B 18 ILE N . 19850 4 33 . 2 2 18 18 HIS H H 1 6.90 . . . . . . B 19 HIS H . 19850 4 34 . 2 2 18 18 HIS N N 15 118.50 . . . . . . B 19 HIS N . 19850 4 35 . 2 2 19 19 LEU H H 1 7.57 . . . . . . B 20 LEU H . 19850 4 36 . 2 2 19 19 LEU N N 15 128.24 . . . . . . B 20 LEU N . 19850 4 37 . 2 2 20 20 GLU H H 1 8.62 . . . . . . B 21 GLU H . 19850 4 38 . 2 2 20 20 GLU N N 15 125.99 . . . . . . B 21 GLU N . 19850 4 39 . 2 2 21 21 VAL H H 1 8.90 . . . . . . B 22 VAL H . 19850 4 40 . 2 2 21 21 VAL N N 15 127.00 . . . . . . B 22 VAL N . 19850 4 41 . 2 2 22 22 ILE H H 1 9.06 . . . . . . B 23 ILE H . 19850 4 42 . 2 2 22 22 ILE N N 15 126.18 . . . . . . B 23 ILE N . 19850 4 43 . 2 2 23 23 ASP H H 1 9.09 . . . . . . B 24 ASP H . 19850 4 44 . 2 2 23 23 ASP N N 15 127.04 . . . . . . B 24 ASP N . 19850 4 45 . 2 2 24 24 ILE H H 1 7.87 . . . . . . B 25 ILE H . 19850 4 46 . 2 2 24 24 ILE N N 15 123.16 . . . . . . B 25 ILE N . 19850 4 47 . 2 2 25 25 SER H H 1 9.11 . . . . . . B 26 SER H . 19850 4 48 . 2 2 25 25 SER N N 15 119.35 . . . . . . B 26 SER N . 19850 4 49 . 2 2 26 26 GLY H H 1 8.37 . . . . . . B 27 GLY H . 19850 4 50 . 2 2 26 26 GLY N N 15 111.77 . . . . . . B 27 GLY N . 19850 4 51 . 2 2 27 27 GLY H H 1 7.83 . . . . . . B 28 GLY H . 19850 4 52 . 2 2 27 27 GLY N N 15 107.07 . . . . . . B 28 GLY N . 19850 4 53 . 2 2 28 28 CYS H H 1 7.34 . . . . . . B 29 CYS H . 19850 4 54 . 2 2 28 28 CYS N N 15 116.85 . . . . . . B 29 CYS N . 19850 4 55 . 2 2 29 29 GLY H H 1 8.86 . . . . . . B 30 GLY H . 19850 4 56 . 2 2 29 29 GLY N N 15 111.55 . . . . . . B 30 GLY N . 19850 4 57 . 2 2 30 30 SER H H 1 8.19 . . . . . . B 31 SER H . 19850 4 58 . 2 2 30 30 SER N N 15 111.94 . . . . . . B 31 SER N . 19850 4 59 . 2 2 31 31 SER H H 1 7.22 . . . . . . B 32 SER H . 19850 4 60 . 2 2 31 31 SER N N 15 116.25 . . . . . . B 32 SER N . 19850 4 61 . 2 2 32 32 PHE H H 1 7.93 . . . . . . B 33 PHE H . 19850 4 62 . 2 2 32 32 PHE N N 15 118.42 . . . . . . B 33 PHE N . 19850 4 63 . 2 2 33 33 GLU H H 1 9.36 . . . . . . B 34 GLU H . 19850 4 64 . 2 2 33 33 GLU N N 15 121.99 . . . . . . B 34 GLU N . 19850 4 65 . 2 2 34 34 VAL H H 1 8.74 . . . . . . B 35 VAL H . 19850 4 66 . 2 2 34 34 VAL N N 15 118.31 . . . . . . B 35 VAL N . 19850 4 67 . 2 2 35 35 GLU H H 1 8.78 . . . . . . B 36 GLU H . 19850 4 68 . 2 2 35 35 GLU N N 15 123.56 . . . . . . B 36 GLU N . 19850 4 69 . 2 2 36 36 VAL H H 1 8.44 . . . . . . B 37 VAL H . 19850 4 70 . 2 2 36 36 VAL N N 15 120.01 . . . . . . B 37 VAL N . 19850 4 71 . 2 2 37 37 VAL H H 1 8.12 . . . . . . B 38 VAL H . 19850 4 72 . 2 2 37 37 VAL N N 15 127.84 . . . . . . B 38 VAL N . 19850 4 73 . 2 2 38 38 SER H H 1 8.18 . . . . . . B 39 SER H . 19850 4 74 . 2 2 38 38 SER N N 15 117.47 . . . . . . B 39 SER N . 19850 4 75 . 2 2 39 39 GLU H H 1 9.83 . . . . . . B 40 GLU H . 19850 4 76 . 2 2 39 39 GLU N N 15 131.47 . . . . . . B 40 GLU N . 19850 4 77 . 2 2 40 40 GLN H H 1 8.16 . . . . . . B 41 GLN H . 19850 4 78 . 2 2 40 40 GLN N N 15 117.52 . . . . . . B 41 GLN N . 19850 4 79 . 2 2 41 41 PHE H H 1 6.83 . . . . . . B 42 PHE H . 19850 4 80 . 2 2 41 41 PHE N N 15 113.28 . . . . . . B 42 PHE N . 19850 4 81 . 2 2 42 42 GLU H H 1 7.40 . . . . . . B 43 GLU H . 19850 4 82 . 2 2 42 42 GLU N N 15 120.96 . . . . . . B 43 GLU N . 19850 4 83 . 2 2 43 43 GLY H H 1 8.96 . . . . . . B 44 GLY H . 19850 4 84 . 2 2 43 43 GLY N N 15 114.95 . . . . . . B 44 GLY N . 19850 4 85 . 2 2 44 44 LYS H H 1 7.85 . . . . . . B 45 LYS H . 19850 4 86 . 2 2 44 44 LYS N N 15 118.68 . . . . . . B 45 LYS N . 19850 4 87 . 2 2 45 45 ARG H H 1 9.21 . . . . . . B 46 ARG H . 19850 4 88 . 2 2 45 45 ARG N N 15 125.33 . . . . . . B 46 ARG N . 19850 4 89 . 2 2 46 46 LEU H H 1 6.91 . . . . . . B 47 LEU H . 19850 4 90 . 2 2 46 46 LEU N N 15 118.20 . . . . . . B 47 LEU N . 19850 4 91 . 2 2 47 47 LEU H H 1 8.52 . . . . . . B 48 LEU H . 19850 4 92 . 2 2 47 47 LEU N N 15 116.00 . . . . . . B 48 LEU N . 19850 4 93 . 2 2 48 48 GLU H H 1 8.22 . . . . . . B 49 GLU H . 19850 4 94 . 2 2 48 48 GLU N N 15 120.86 . . . . . . B 49 GLU N . 19850 4 95 . 2 2 49 49 ARG H H 1 7.94 . . . . . . B 50 ARG H . 19850 4 96 . 2 2 49 49 ARG N N 15 119.23 . . . . . . B 50 ARG N . 19850 4 97 . 2 2 50 50 HIS H H 1 8.30 . . . . . . B 51 HIS H . 19850 4 98 . 2 2 50 50 HIS N N 15 117.47 . . . . . . B 51 HIS N . 19850 4 99 . 2 2 51 51 ARG H H 1 7.93 . . . . . . B 52 ARG H . 19850 4 100 . 2 2 51 51 ARG N N 15 120.36 . . . . . . B 52 ARG N . 19850 4 101 . 2 2 52 52 MET H H 1 8.11 . . . . . . B 53 MET H . 19850 4 102 . 2 2 52 52 MET N N 15 120.72 . . . . . . B 53 MET N . 19850 4 103 . 2 2 53 53 VAL H H 1 8.09 . . . . . . B 54 VAL H . 19850 4 104 . 2 2 53 53 VAL N N 15 119.34 . . . . . . B 54 VAL N . 19850 4 105 . 2 2 54 54 ASN H H 1 7.96 . . . . . . B 55 ASN H . 19850 4 106 . 2 2 54 54 ASN N N 15 116.94 . . . . . . B 55 ASN N . 19850 4 107 . 2 2 55 55 ALA H H 1 8.47 . . . . . . B 56 ALA H . 19850 4 108 . 2 2 55 55 ALA N N 15 121.06 . . . . . . B 56 ALA N . 19850 4 109 . 2 2 56 56 ALA H H 1 7.57 . . . . . . B 57 ALA H . 19850 4 110 . 2 2 56 56 ALA N N 15 121.34 . . . . . . B 57 ALA N . 19850 4 111 . 2 2 57 57 LEU H H 1 6.93 . . . . . . B 58 LEU H . 19850 4 112 . 2 2 57 57 LEU N N 15 116.00 . . . . . . B 58 LEU N . 19850 4 113 . 2 2 58 58 GLU H H 1 6.95 . . . . . . B 59 GLU H . 19850 4 114 . 2 2 58 58 GLU N N 15 120.17 . . . . . . B 59 GLU N . 19850 4 115 . 2 2 59 59 GLU H H 1 8.55 . . . . . . B 60 GLU H . 19850 4 116 . 2 2 59 59 GLU N N 15 116.27 . . . . . . B 60 GLU N . 19850 4 117 . 2 2 60 60 GLU H H 1 8.98 . . . . . . B 61 GLU H . 19850 4 118 . 2 2 60 60 GLU N N 15 121.90 . . . . . . B 61 GLU N . 19850 4 119 . 2 2 61 61 MET H H 1 8.69 . . . . . . B 62 MET H . 19850 4 120 . 2 2 61 61 MET N N 15 115.95 . . . . . . B 62 MET N . 19850 4 121 . 2 2 62 62 LYS H H 1 7.37 . . . . . . B 63 LYS H . 19850 4 122 . 2 2 62 62 LYS N N 15 116.98 . . . . . . B 63 LYS N . 19850 4 123 . 2 2 63 63 GLU H H 1 7.72 . . . . . . B 64 GLU H . 19850 4 124 . 2 2 63 63 GLU N N 15 115.49 . . . . . . B 64 GLU N . 19850 4 125 . 2 2 64 64 ILE H H 1 7.39 . . . . . . B 65 ILE H . 19850 4 126 . 2 2 64 64 ILE N N 15 120.54 . . . . . . B 65 ILE N . 19850 4 127 . 2 2 65 65 HIS H H 1 9.13 . . . . . . B 66 HIS H . 19850 4 128 . 2 2 65 65 HIS N N 15 126.53 . . . . . . B 66 HIS N . 19850 4 129 . 2 2 66 66 ALA H H 1 7.39 . . . . . . B 67 ALA H . 19850 4 130 . 2 2 66 66 ALA N N 15 120.54 . . . . . . B 67 ALA N . 19850 4 131 . 2 2 67 67 LEU H H 1 8.47 . . . . . . B 68 LEU H . 19850 4 132 . 2 2 67 67 LEU N N 15 124.39 . . . . . . B 68 LEU N . 19850 4 133 . 2 2 68 68 SER H H 1 8.80 . . . . . . B 69 SER H . 19850 4 134 . 2 2 68 68 SER N N 15 122.19 . . . . . . B 69 SER N . 19850 4 135 . 2 2 69 69 ILE H H 1 8.87 . . . . . . B 70 ILE H . 19850 4 136 . 2 2 69 69 ILE N N 15 129.47 . . . . . . B 70 ILE N . 19850 4 137 . 2 2 70 70 LYS H H 1 8.64 . . . . . . B 71 LYS H . 19850 4 138 . 2 2 70 70 LYS N N 15 130.03 . . . . . . B 71 LYS N . 19850 4 139 . 2 2 71 71 LYS H H 1 7.14 . . . . . . B 72 LYS H . 19850 4 140 . 2 2 71 71 LYS N N 15 114.17 . . . . . . B 72 LYS N . 19850 4 141 . 2 2 72 72 ALA H H 1 8.79 . . . . . . B 73 ALA H . 19850 4 142 . 2 2 72 72 ALA N N 15 129.18 . . . . . . B 73 ALA N . 19850 4 143 . 2 2 73 73 GLN H H 1 8.24 . . . . . . B 74 GLN H . 19850 4 144 . 2 2 73 73 GLN N N 15 120.75 . . . . . . B 74 GLN N . 19850 4 145 . 2 2 74 74 THR H H 1 8.84 . . . . . . B 75 THR H . 19850 4 146 . 2 2 74 74 THR N N 15 111.71 . . . . . . B 75 THR N . 19850 4 147 . 2 2 76 76 GLN H H 1 7.45 . . . . . . B 77 GLN H . 19850 4 148 . 2 2 76 76 GLN N N 15 116.81 . . . . . . B 77 GLN N . 19850 4 149 . 2 2 77 77 GLN H H 1 8.41 . . . . . . B 78 GLN H . 19850 4 150 . 2 2 77 77 GLN N N 15 114.25 . . . . . . B 78 GLN N . 19850 4 151 . 2 2 78 78 TRP H H 1 7.62 . . . . . . B 79 TRP H . 19850 4 152 . 2 2 78 78 TRP N N 15 120.62 . . . . . . B 79 TRP N . 19850 4 153 . 2 2 79 79 LYS H H 1 7.72 . . . . . . B 80 LYS H . 19850 4 154 . 2 2 79 79 LYS N N 15 120.97 . . . . . . B 80 LYS N . 19850 4 stop_ save_