######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 31054 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 5 CYSS H 5 CYSS HA 2.79 #peak 1 5 CYSS H 5 CYSS HB2 3.29 #peak 2 5 CYSS H 5 CYSS HB3 3.71 #peak 3 4 ASP HB2 5 CYSS H 4.46 #peak 5 4 ASP HB3 5 CYSS H 4.79 #peak 6 4 ASP H 4 ASP HB3 3.60 #peak 8 4 ASP H 4 ASP HB2 3.60 #peak 9 4 ASP HA 5 CYSS H 2.79 #peak 10 3 ILE HA 4 ASP HB2 5.00 #peak 12 3 ILE H 3 ILE HG12 4.21 #peak 15 3 ILE H 3 ILE HB 3.46 #peak 16 3 ILE QG2 8 PHE HB2 4.17 #peak 20 3 ILE H 3 ILE HG13 4.21 #peak 23 3 ILE QG2 3 ILE HG12 4.18 #peak 27 3 ILE QG2 3 ILE HG13 4.18 #peak 29 3 ILE HB 3 ILE QD1 3.94 #peak 30 3 ILE HG12 4 ASP H 5.18 #peak 31 3 ILE HG13 4 ASP H 5.18 #peak 32 3 ILE HB 4 ASP H 4.09 #peak 33 3 ILE H 3 ILE QD1 4.94 #peak 34 3 ILE H 3 ILE QG2 4.06 #peak 35 3 ILE QG2 4 ASP H 4.19 #peak 36 3 ILE QD1 4 ASP H 5.47 #peak 37 3 ILE QG2 5 CYSS H 5.13 #peak 38 2 ARG HA 3 ILE H 3.00 #peak 39 2 ARG H 2 ARG QB 4.05 #peak 41 2 ARG H 2 ARG QG 4.43 #peak 42 2 ARG QG 3 ILE H 4.38 #peak 45 2 ARG QB 3 ILE H 4.21 #peak 46 1 ARG HA 2 ARG H 3.57 #peak 48 6 LYS H 6 LYS HB2 3.86 #peak 55 6 LYS H 6 LYS QD 5.16 #peak 58 6 LYS H 6 LYS HG2 4.57 #peak 59 6 LYS H 6 LYS HG3 4.57 #peak 60 5 CYSS HB3 6 LYS H 4.73 #peak 61 5 CYSS HB2 6 LYS H 4.61 #peak 62 4 ASP HB3 6 LYS H 4.95 #peak 63 7 VAL HA 7 VAL QG1 3.64 #peak 66 7 VAL HA 7 VAL QG2 3.64 #peak 67 7 VAL H 7 VAL QG1 4.91 #peak 70 9 VAL QG1 10 PHE QD 4.77 #peak 71 7 VAL H 7 VAL QG2 4.91 #peak 72 8 PHE H 8 PHE HB3 4.00 #peak 76 7 VAL HB 8 PHE H 3.52 #peak 81 7 VAL QG1 8 PHE H 4.43 #peak 82 7 VAL QG2 8 PHE H 4.43 #peak 83 4 ASP HB3 8 PHE H 5.11 #peak 85 9 VAL HA 9 VAL QG1 3.80 #peak 137 9 VAL H 9 VAL QG1 3.99 #peak 93 9 VAL H 9 VAL QG2 3.99 #peak 94 8 PHE HB3 9 VAL H 5.50 #peak 96 8 PHE HB2 9 VAL H 5.43 #peak 97 9 VAL QG2 10 PHE QD 4.77 #peak 98 10 PHE H 10 PHE HB2 3.84 #peak 101 9 VAL QG2 10 PHE H 4.82 #peak 103 9 VAL QG1 10 PHE H 4.82 #peak 104 10 PHE H 11 ALA QB 5.10 #peak 105 9 VAL HB 10 PHE H 4.56 #peak 460 11 ALA H 11 ALA QB 3.14 #peak 110 10 PHE HB2 11 ALA H 4.07 #peak 111 10 PHE HB3 11 ALA H 4.90 #peak 112 8 PHE HB3 11 ALA H 4.20 #peak 113 8 PHE HB2 11 ALA H 5.07 #peak 114 11 ALA H 12 PRO HD3 5.38 #peak 116 11 ALA H 12 PRO HD2 5.38 #peak 117 11 ALA HA 12 PRO HD3 3.80 #peak 402 8 PHE HB3 11 ALA QB 3.58 #peak 131 10 PHE HB2 11 ALA QB 4.17 #peak 132 8 PHE HB2 11 ALA QB 4.19 #peak 133 6 LYS HA 9 VAL QG2 5.21 #peak 136 9 VAL HA 9 VAL QG2 3.80 #peak 138 3 ILE QD1 11 ALA QB 3.75 #peak 139 3 ILE QG2 11 ALA QB 3.94 #peak 140 3 ILE QD1 13 ILE QG2 3.67 #peak 141 13 ILE H 13 ILE HB 3.22 #peak 144 13 ILE H 13 ILE HG13 3.90 #peak 150 13 ILE H 13 ILE HG12 3.90 #peak 151 12 PRO HD3 13 ILE H 4.98 #peak 155 12 PRO HD2 13 ILE H 4.98 #peak 156 11 ALA HA 13 ILE H 5.11 #peak 158 14 CYSS H 14 CYSS HB3 3.91 #peak 160 14 CYSS H 14 CYSS HB2 3.48 #peak 161 13 ILE HB 14 CYSS H 4.60 #peak 163 13 ILE QG2 14 CYSS H 3.81 #peak 165 12 PRO HA 14 CYSS H 4.98 #peak 166 14 CYSS H 15 ARG H 3.31 #peak 168 10 PHE H 11 ALA H 3.34 #peak 172 7 VAL H 8 PHE H 3.34 #peak 173 4 ASP H 5 CYSS H 4.79 #peak 178 5 CYSS H 6 LYS H 3.78 #peak 179 6 LYS H 8 PHE H 4.69 #peak 180 18 ALA H 19 ALA H 4.55 #peak 249 8 PHE H 8 PHE QE 4.68 #peak 184 4 ASP H 8 PHE QE 4.91 #peak 186 4 ASP H 8 PHE QD 4.26 #peak 187 9 VAL H 10 PHE H 4.20 #peak 190 6 LYS H 7 VAL H 3.40 #peak 176 14 CYSS HB2 15 ARG H 4.38 #peak 194 14 CYSS HB3 15 ARG H 4.54 #peak 195 15 ARG H 15 ARG HB2 3.93 #peak 196 13 ILE HA 15 ARG H 4.89 #peak 199 12 PRO HA 15 ARG H 4.74 #peak 200 15 ARG HA 15 ARG QD 4.59 #peak 204 9 VAL HA 14 CYSS HB3 4.22 #peak 205 9 VAL HA 14 CYSS HB2 4.56 #peak 206 3 ILE QG2 8 PHE HB3 4.35 #peak 208 4 ASP HB3 7 VAL QG2 5.50 #peak 209 3 ILE QD1 8 PHE HB3 4.62 #peak 210 3 ILE QD1 8 PHE HB2 4.54 #peak 211 13 ILE QD1 15 ARG QD 4.36 #peak 212 4 ASP HB3 7 VAL HB 4.52 #peak 213 3 ILE HB 13 ILE QG2 4.11 #peak 218 15 ARG H 16 GLY H 3.49 #peak 171 15 ARG QG 16 GLY H 4.67 #peak 223 15 ARG HB3 16 GLY H 4.73 #peak 224 15 ARG HB2 16 GLY H 4.73 #peak 225 13 ILE QG2 16 GLY H 4.88 #peak 226 17 VAL H 17 VAL QG1 3.92 #peak 241 17 VAL H 17 VAL HB 3.82 #peak 232 17 VAL HA 18 ALA H 3.10 #peak 234 17 VAL HB 18 ALA H 4.27 #peak 235 18 ALA H 18 ALA QB 3.68 #peak 236 17 VAL QG2 18 ALA H 4.16 #peak 237 17 VAL QG1 18 ALA H 4.16 #peak 238 17 VAL H 17 VAL QG2 3.92 #peak 230 16 GLY H 17 VAL H 3.55 #peak 248 8 PHE HA 8 PHE QD 3.62 #peak 252 4 ASP HB3 8 PHE QE 5.00 #peak 256 4 ASP HB3 8 PHE QD 4.44 #peak 257 7 VAL HB 8 PHE QE 4.61 #peak 258 7 VAL HB 8 PHE QD 4.01 #peak 259 8 PHE QD 11 ALA QB 4.63 #peak 260 8 PHE QE 11 ALA QB 5.40 #peak 261 3 ILE HG13 8 PHE QD 5.26 #peak 262 3 ILE HG12 8 PHE QD 5.26 #peak 263 3 ILE QG2 8 PHE QE 4.84 #peak 264 3 ILE QG2 8 PHE QD 4.24 #peak 265 7 VAL QG1 8 PHE QD 4.64 #peak 266 7 VAL QG1 8 PHE QE 5.03 #peak 267 3 ILE QD1 8 PHE QD 4.64 #peak 268 3 ILE QD1 8 PHE QE 5.35 #peak 269 9 VAL QG1 11 ALA H 5.50 #peak 271 3 ILE HA 8 PHE QE 5.47 #peak 273 3 ILE HA 8 PHE QD 5.16 #peak 274 10 PHE QD 11 ALA H 5.27 #peak 275 9 VAL H 11 ALA H 5.35 #peak 276 8 PHE QD 11 ALA H 5.26 #peak 280 5 CYSS H 7 VAL H 5.27 #peak 281 14 CYSS H 16 GLY H 5.40 #peak 285 10 PHE HA 10 PHE QD 3.49 #peak 290 4 ASP HB2 8 PHE QD 4.98 #peak 296 4 ASP HB2 8 PHE QE 5.50 #peak 297 9 VAL QG1 10 PHE QE 4.99 #peak 298 9 VAL QG2 10 PHE QE 4.99 #peak 299 11 ALA HA 12 PRO HG2 5.21 #peak 304 11 ALA HA 12 PRO HG3 5.21 #peak 305 13 ILE QG2 14 CYSS HA 4.20 #peak 308 5 CYSS HA 9 VAL HA 4.33 #peak 311 5 CYSS HA 9 VAL QG2 4.99 #peak 313 5 CYSS HA 9 VAL QG1 4.99 #peak 314 3 ILE QG2 4 ASP HA 4.47 #peak 315 7 VAL HA 9 VAL QG1 5.50 #peak 320 7 VAL HA 9 VAL QG2 5.50 #peak 321 4 ASP HB3 7 VAL QG1 5.50 #peak 322 9 VAL QG2 14 CYSS HB3 5.31 #peak 323 9 VAL QG1 14 CYSS HB3 5.31 #peak 325 2 ARG HA 2 ARG QD 5.24 #peak 331 15 ARG H 15 ARG QG 3.90 #peak 198 11 ALA HA 14 CYSS H 5.50 #peak 340 11 ALA H 14 CYSS H 4.93 #peak 341 7 VAL HA 8 PHE QD 5.50 #peak 342 3 ILE H 13 ILE QG2 5.02 #peak 346 3 ILE HA 4 ASP HB3 5.07 #peak 353 12 PRO HA 15 ARG QD 4.93 #peak 354 1 ARG HA 1 ARG QD 5.50 #peak 355 10 PHE QD 11 ALA HA 5.19 #peak 359 15 ARG H 15 ARG HB3 3.93 #peak 360 8 PHE H 8 PHE HB2 3.57 #peak 361 8 PHE HA 8 PHE QE 4.46 #peak 362 12 PRO HB3 13 ILE H 4.39 #peak 363 6 LYS H 6 LYS HB3 3.86 #peak 364 6 LYS HA 9 VAL QG1 5.21 #peak 135 13 ILE HA 13 ILE HG12 3.94 #peak 369 13 ILE HA 13 ILE HG13 3.94 #peak 370 13 ILE HA 13 ILE HB 3.00 #peak 373 15 ARG HA 15 ARG QG 3.88 #peak 376 2 ARG HA 2 ARG QG 4.03 #peak 377 11 ALA QB 12 PRO HD2 4.00 #peak 129 11 ALA QB 13 ILE H 3.86 #peak 395 11 ALA QB 14 CYSS H 4.02 #peak 396 11 ALA QB 12 PRO HD3 4.00 #peak 130 3 ILE HA 3 ILE QG2 3.67 #peak 18 3 ILE HA 3 ILE QD1 4.26 #peak 19 11 ALA HA 12 PRO HD2 3.80 #peak 401 9 VAL QG2 11 ALA H 5.50 #peak 429 7 VAL QG2 8 PHE QE 5.03 #peak 436 7 VAL QG2 8 PHE QD 4.64 #peak 437 10 PHE H 10 PHE QD 4.07 #peak 442 8 PHE QD 10 PHE H 5.18 #peak 443 8 PHE H 9 VAL H 4.51 #peak 444 9 VAL HA 11 ALA H 4.79 #peak 115 13 ILE HA 17 VAL H 5.37 #peak 451 15 ARG HA 17 VAL H 4.74 #peak 452 3 ILE HA 4 ASP H 3.05 #peak 14 12 PRO HB2 13 ILE H 4.39 #peak 154 8 PHE HB3 10 PHE H 5.23 #peak 461 8 PHE HB2 10 PHE H 5.18 #peak 462 15 ARG HA 16 GLY H 3.27 #peak 465 8 PHE H 8 PHE QD 3.90 #peak 467 3 ILE H 3 ILE QG1 3.64 #peak 15 3 ILE QG1 4 ASP H 4.42 #peak 32 3 ILE QG1 8 PHE QD 4.55 #peak 262 4 ASP HA 7 VAL QQG 5.18 #peak 316 4 ASP HB2 7 VAL QQG 4.95 #peak 328 4 ASP HB3 7 VAL QQG 4.16 #peak 209 5 CYSS HA 9 VAL QQG 4.38 #peak 314 5 CYSS HB2 17 VAL QQG 5.21 #peak 319 6 LYS H 6 LYS QB 3.28 #peak 55 6 LYS H 6 LYS QG 3.91 #peak 60 6 LYS H 7 VAL QQG 4.60 #peak 344 6 LYS HA 9 VAL QQG 4.28 #peak 135 6 LYS QG 7 VAL H 5.25 #peak 73 7 VAL H 7 VAL QQG 3.78 #peak 72 7 VAL HA 7 VAL QQG 3.10 #peak 67 7 VAL HA 9 VAL QQG 4.68 #peak 320 7 VAL QQG 8 PHE HA 4.77 #peak 312 7 VAL QQG 8 PHE HB3 5.44 #peak 466 7 VAL QQG 8 PHE QD 3.90 #peak 266 7 VAL QQG 8 PHE QE 4.04 #peak 267 7 VAL QQG 9 VAL H 5.44 #peak 99 8 PHE H 9 VAL QQG 5.31 #peak 86 9 VAL QQG 10 PHE H 4.06 #peak 103 9 VAL QQG 10 PHE QD 3.99 #peak 98 9 VAL QQG 10 PHE QE 4.22 #peak 299 11 ALA H 12 PRO QD 4.53 #peak 117 11 ALA HA 12 PRO QB 5.22 #peak 306 11 ALA HA 12 PRO QG 4.43 #peak 304 11 ALA HA 12 PRO QD 3.08 #peak 401 12 PRO QB 13 ILE H 3.60 #peak 363 12 PRO QG 13 ILE H 4.65 #peak 457 12 PRO QD 13 ILE H 4.13 #peak 155 13 ILE HA 13 ILE QG1 3.24 #peak 370 13 ILE QG1 14 CYSS H 3.95 #peak 164 14 CYSS HB2 17 VAL QQG 4.91 #peak 318 15 ARG H 15 ARG QB 3.34 #peak 360 17 VAL H 17 VAL QQG 3.40 #peak 230 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 11.0082 ppm . . . 4.694 . . 31054 1 2 . . H 1 H . 'not observed' 11.0082 ppm . . . 4.694 . . 31054 1 stop_ save_