data_16507_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16507 _Entry.PDB_ID 2KOH _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1 3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1 4 1 1 1 "RMS(OBS, PRED)" H 0 0.000 1 5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1 6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1 7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1 8 1 1 2 "RMS(OBS, PRED)" CA 0 0.000 1 9 1 1 2 "RMS(OBS, PRED)" CB 0 0.000 1 10 1 1 2 "RMS(OBS, PRED)" H 0 0.000 1 11 1 1 2 "RMS(OBS, PRED)" HA 0 0.000 1 12 1 1 2 "RMS(OBS, PRED)" N 0 0.000 1 13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1 15 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1 16 1 2 1 "RMS(OBS, PRED)" H 0 0.000 1 17 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1 18 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1 19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1 20 1 2 2 "RMS(OBS, PRED)" CA 0 0.000 1 21 1 2 2 "RMS(OBS, PRED)" CB 0 0.000 1 22 1 2 2 "RMS(OBS, PRED)" H 0 0.000 1 23 1 2 2 "RMS(OBS, PRED)" HA 0 0.000 1 24 1 2 2 "RMS(OBS, PRED)" N 0 0.000 1 25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1 27 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1 28 1 3 1 "RMS(OBS, PRED)" H 0 0.000 1 29 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1 30 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1 31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1 32 1 3 2 "RMS(OBS, PRED)" CA 0 0.000 1 33 1 3 2 "RMS(OBS, PRED)" CB 0 0.000 1 34 1 3 2 "RMS(OBS, PRED)" H 0 0.000 1 35 1 3 2 "RMS(OBS, PRED)" HA 0 0.000 1 36 1 3 2 "RMS(OBS, PRED)" N 0 0.000 1 37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1 39 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1 40 1 4 1 "RMS(OBS, PRED)" H 0 0.000 1 41 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1 42 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1 43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1 44 1 4 2 "RMS(OBS, PRED)" CA 0 0.000 1 45 1 4 2 "RMS(OBS, PRED)" CB 0 0.000 1 46 1 4 2 "RMS(OBS, PRED)" H 0 0.000 1 47 1 4 2 "RMS(OBS, PRED)" HA 0 0.000 1 48 1 4 2 "RMS(OBS, PRED)" N 0 0.000 1 49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1 51 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1 52 1 5 1 "RMS(OBS, PRED)" H 0 0.000 1 53 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1 54 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1 55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1 56 1 5 2 "RMS(OBS, PRED)" CA 0 0.000 1 57 1 5 2 "RMS(OBS, PRED)" CB 0 0.000 1 58 1 5 2 "RMS(OBS, PRED)" H 0 0.000 1 59 1 5 2 "RMS(OBS, PRED)" HA 0 0.000 1 60 1 5 2 "RMS(OBS, PRED)" N 0 0.000 1 61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1 63 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1 64 1 6 1 "RMS(OBS, PRED)" H 0 0.000 1 65 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1 66 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1 67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1 68 1 6 2 "RMS(OBS, PRED)" CA 0 0.000 1 69 1 6 2 "RMS(OBS, PRED)" CB 0 0.000 1 70 1 6 2 "RMS(OBS, PRED)" H 0 0.000 1 71 1 6 2 "RMS(OBS, PRED)" HA 0 0.000 1 72 1 6 2 "RMS(OBS, PRED)" N 0 0.000 1 73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1 75 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1 76 1 7 1 "RMS(OBS, PRED)" H 0 0.000 1 77 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1 78 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1 79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1 80 1 7 2 "RMS(OBS, PRED)" CA 0 0.000 1 81 1 7 2 "RMS(OBS, PRED)" CB 0 0.000 1 82 1 7 2 "RMS(OBS, PRED)" H 0 0.000 1 83 1 7 2 "RMS(OBS, PRED)" HA 0 0.000 1 84 1 7 2 "RMS(OBS, PRED)" N 0 0.000 1 85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1 87 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1 88 1 8 1 "RMS(OBS, PRED)" H 0 0.000 1 89 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1 90 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1 91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1 92 1 8 2 "RMS(OBS, PRED)" CA 0 0.000 1 93 1 8 2 "RMS(OBS, PRED)" CB 0 0.000 1 94 1 8 2 "RMS(OBS, PRED)" H 0 0.000 1 95 1 8 2 "RMS(OBS, PRED)" HA 0 0.000 1 96 1 8 2 "RMS(OBS, PRED)" N 0 0.000 1 97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1 99 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1 100 1 9 1 "RMS(OBS, PRED)" H 0 0.000 1 101 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1 102 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1 103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1 104 1 9 2 "RMS(OBS, PRED)" CA 0 0.000 1 105 1 9 2 "RMS(OBS, PRED)" CB 0 0.000 1 106 1 9 2 "RMS(OBS, PRED)" H 0 0.000 1 107 1 9 2 "RMS(OBS, PRED)" HA 0 0.000 1 108 1 9 2 "RMS(OBS, PRED)" N 0 0.000 1 109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1 111 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1 112 1 10 1 "RMS(OBS, PRED)" H 0 0.000 1 113 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1 114 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1 115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1 116 1 10 2 "RMS(OBS, PRED)" CA 0 0.000 1 117 1 10 2 "RMS(OBS, PRED)" CB 0 0.000 1 118 1 10 2 "RMS(OBS, PRED)" H 0 0.000 1 119 1 10 2 "RMS(OBS, PRED)" HA 0 0.000 1 120 1 10 2 "RMS(OBS, PRED)" N 0 0.000 1 121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 122 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1 123 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1 124 1 11 1 "RMS(OBS, PRED)" H 0 0.000 1 125 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1 126 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1 127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1 128 1 11 2 "RMS(OBS, PRED)" CA 0 0.000 1 129 1 11 2 "RMS(OBS, PRED)" CB 0 0.000 1 130 1 11 2 "RMS(OBS, PRED)" H 0 0.000 1 131 1 11 2 "RMS(OBS, PRED)" HA 0 0.000 1 132 1 11 2 "RMS(OBS, PRED)" N 0 0.000 1 133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 134 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1 135 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1 136 1 12 1 "RMS(OBS, PRED)" H 0 0.000 1 137 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1 138 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1 139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1 140 1 12 2 "RMS(OBS, PRED)" CA 0 0.000 1 141 1 12 2 "RMS(OBS, PRED)" CB 0 0.000 1 142 1 12 2 "RMS(OBS, PRED)" H 0 0.000 1 143 1 12 2 "RMS(OBS, PRED)" HA 0 0.000 1 144 1 12 2 "RMS(OBS, PRED)" N 0 0.000 1 145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 146 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1 147 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1 148 1 13 1 "RMS(OBS, PRED)" H 0 0.000 1 149 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1 150 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1 151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1 152 1 13 2 "RMS(OBS, PRED)" CA 0 0.000 1 153 1 13 2 "RMS(OBS, PRED)" CB 0 0.000 1 154 1 13 2 "RMS(OBS, PRED)" H 0 0.000 1 155 1 13 2 "RMS(OBS, PRED)" HA 0 0.000 1 156 1 13 2 "RMS(OBS, PRED)" N 0 0.000 1 157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 158 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1 159 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1 160 1 14 1 "RMS(OBS, PRED)" H 0 0.000 1 161 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1 162 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1 163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1 164 1 14 2 "RMS(OBS, PRED)" CA 0 0.000 1 165 1 14 2 "RMS(OBS, PRED)" CB 0 0.000 1 166 1 14 2 "RMS(OBS, PRED)" H 0 0.000 1 167 1 14 2 "RMS(OBS, PRED)" HA 0 0.000 1 168 1 14 2 "RMS(OBS, PRED)" N 0 0.000 1 169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 170 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1 171 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1 172 1 15 1 "RMS(OBS, PRED)" H 0 0.000 1 173 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1 174 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1 175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1 176 1 15 2 "RMS(OBS, PRED)" CA 0 0.000 1 177 1 15 2 "RMS(OBS, PRED)" CB 0 0.000 1 178 1 15 2 "RMS(OBS, PRED)" H 0 0.000 1 179 1 15 2 "RMS(OBS, PRED)" HA 0 0.000 1 180 1 15 2 "RMS(OBS, PRED)" N 0 0.000 1 181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 182 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1 183 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1 184 1 16 1 "RMS(OBS, PRED)" H 0 0.000 1 185 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1 186 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1 187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1 188 1 16 2 "RMS(OBS, PRED)" CA 0 0.000 1 189 1 16 2 "RMS(OBS, PRED)" CB 0 0.000 1 190 1 16 2 "RMS(OBS, PRED)" H 0 0.000 1 191 1 16 2 "RMS(OBS, PRED)" HA 0 0.000 1 192 1 16 2 "RMS(OBS, PRED)" N 0 0.000 1 193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 194 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1 195 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1 196 1 17 1 "RMS(OBS, PRED)" H 0 0.000 1 197 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1 198 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1 199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1 200 1 17 2 "RMS(OBS, PRED)" CA 0 0.000 1 201 1 17 2 "RMS(OBS, PRED)" CB 0 0.000 1 202 1 17 2 "RMS(OBS, PRED)" H 0 0.000 1 203 1 17 2 "RMS(OBS, PRED)" HA 0 0.000 1 204 1 17 2 "RMS(OBS, PRED)" N 0 0.000 1 205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 206 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1 207 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1 208 1 18 1 "RMS(OBS, PRED)" H 0 0.000 1 209 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1 210 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1 211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1 212 1 18 2 "RMS(OBS, PRED)" CA 0 0.000 1 213 1 18 2 "RMS(OBS, PRED)" CB 0 0.000 1 214 1 18 2 "RMS(OBS, PRED)" H 0 0.000 1 215 1 18 2 "RMS(OBS, PRED)" HA 0 0.000 1 216 1 18 2 "RMS(OBS, PRED)" N 0 0.000 1 217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 218 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1 219 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1 220 1 19 1 "RMS(OBS, PRED)" H 0 0.000 1 221 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1 222 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1 223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1 224 1 19 2 "RMS(OBS, PRED)" CA 0 0.000 1 225 1 19 2 "RMS(OBS, PRED)" CB 0 0.000 1 226 1 19 2 "RMS(OBS, PRED)" H 0 0.000 1 227 1 19 2 "RMS(OBS, PRED)" HA 0 0.000 1 228 1 19 2 "RMS(OBS, PRED)" N 0 0.000 1 229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 230 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1 231 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1 232 1 20 1 "RMS(OBS, PRED)" H 0 0.000 1 233 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1 234 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1 235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1 236 1 20 2 "RMS(OBS, PRED)" CA 0 0.000 1 237 1 20 2 "RMS(OBS, PRED)" CB 0 0.000 1 238 1 20 2 "RMS(OBS, PRED)" H 0 0.000 1 239 1 20 2 "RMS(OBS, PRED)" HA 0 0.000 1 240 1 20 2 "RMS(OBS, PRED)" N 0 0.000 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID stop_ save_