######################### # 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 36124 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _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 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H #INAME 2 H 2 4.178 8.130 1 U 0.000e+000 0.00e+000 - 0 334 332 0 3 3.208 8.130 1 U 0.000e+000 0.00e+000 - 0 344 332 0 4 1.843 8.130 1 U 0.000e+000 0.00e+000 - 0 336 332 0 5 1.724 8.130 1 U 0.000e+000 0.00e+000 - 0 337 332 0 6 1.598 8.130 1 U 0.000e+000 0.00e+000 - 0 340 332 0 7 1.519 8.130 1 U 0.000e+000 0.00e+000 - 0 341 332 0 8 4.281 8.255 1 U 0.000e+000 0.00e+000 - 0 135 133 0 9 1.338 8.255 1 U 0.000e+000 0.00e+000 - 0 358 133 0 10 4.581 8.391 1 U 0.000e+000 0.00e+000 - 0 112 110 0 11 3.137 8.391 1 U 0.000e+000 0.00e+000 - 0 114 110 0 12 3.003 8.391 1 U 0.000e+000 0.00e+000 - 0 115 110 0 13 4.273 8.385 1 U 0.000e+000 0.00e+000 - 0 145 143 0 14 1.788 8.385 1 U 0.000e+000 0.00e+000 - 0 147 143 0 15 1.709 8.385 1 U 0.000e+000 0.00e+000 - 0 148 143 0 16 1.480 8.385 1 U 0.000e+000 0.00e+000 - 0 155 143 0 17 1.401 8.385 1 U 0.000e+000 0.00e+000 - 0 156 143 0 18 1.275 8.385 1 U 0.000e+000 0.00e+000 - 0 151 143 0 19 4.315 8.295 1 U 0.000e+000 0.00e+000 - 0 90 88 0 20 1.553 8.295 1 U 0.000e+000 0.00e+000 - 0 92 88 0 21 1.444 8.295 1 U 0.000e+000 0.00e+000 - 0 93 88 0 22 0.840 8.295 1 U 0.000e+000 0.00e+000 - 0 359 88 0 23 1.334 8.295 1 U 0.000e+000 0.00e+000 - 0 96 88 0 24 4.257 8.333 1 U 0.000e+000 0.00e+000 - 0 286 284 0 25 1.354 8.333 1 U 0.000e+000 0.00e+000 - 0 360 284 0 26 4.167 8.330 1 U 0.000e+000 0.00e+000 - 0 313 311 0 27 1.874 8.331 1 U 0.000e+000 0.00e+000 - 0 315 311 0 28 0.917 8.331 1 U 0.000e+000 0.00e+000 - 0 362 311 0 29 0.763 8.331 1 U 0.000e+000 0.00e+000 - 0 363 311 0 31 1.181 8.331 1 U 0.000e+000 0.00e+000 - 0 322 311 0 32 4.238 8.426 1 U 0.000e+000 0.00e+000 - 0 170 168 0 33 1.868 8.426 1 U 0.000e+000 0.00e+000 - 0 172 168 0 34 1.527 8.426 1 U 0.000e+000 0.00e+000 - 0 179 168 0 35 1.219 8.426 1 U 0.000e+000 0.00e+000 - 0 180 168 0 36 0.898 8.426 1 U 0.000e+000 0.00e+000 - 0 364 168 0 37 0.776 8.426 1 U 0.000e+000 0.00e+000 - 0 365 168 0 38 4.488 8.481 1 U 0.000e+000 0.00e+000 - 0 268 266 0 39 2.613 8.481 1 U 0.000e+000 0.00e+000 - 0 274 266 0 40 2.529 8.481 1 U 0.000e+000 0.00e+000 - 0 275 266 0 41 2.118 8.481 1 U 0.000e+000 0.00e+000 - 0 270 266 0 42 1.964 8.481 1 U 0.000e+000 0.00e+000 - 0 271 266 0 43 4.360 8.502 1 U 0.000e+000 0.00e+000 - 0 191 189 0 44 1.193 8.502 1 U 0.000e+000 0.00e+000 - 0 366 189 0 45 4.694 8.546 1 U 0.000e+000 0.00e+000 - 0 0 0 0 46 4.694 8.546 1 U 0.000e+000 0.00e+000 - 0 296 294 0 47 3.236 8.546 1 U 0.000e+000 0.00e+000 - 0 298 294 0 48 3.159 8.546 1 U 0.000e+000 0.00e+000 - 0 299 294 0 49 4.193 8.503 1 U 0.000e+000 0.00e+000 - 0 65 63 0 50 2.966 8.503 1 U 0.000e+000 0.00e+000 - 0 79 63 0 51 1.707 8.503 1 U 0.000e+000 0.00e+000 - 0 67 63 0 52 1.438 8.503 1 U 0.000e+000 0.00e+000 - 0 75 63 0 53 1.335 8.503 1 U 0.000e+000 0.00e+000 - 0 71 63 0 54 4.295 8.535 1 U 0.000e+000 0.00e+000 - 0 204 202 0 55 2.998 8.535 1 U 0.000e+000 0.00e+000 - 0 218 202 0 56 1.836 8.535 1 U 0.000e+000 0.00e+000 - 0 206 202 0 57 1.727 8.535 1 U 0.000e+000 0.00e+000 - 0 207 202 0 58 1.418 8.535 1 U 0.000e+000 0.00e+000 - 0 214 202 0 59 1.348 8.535 1 U 0.000e+000 0.00e+000 - 0 215 202 0 60 1.193 8.535 1 U 0.000e+000 0.00e+000 - 0 210 202 0 61 4.231 8.520 1 U 0.000e+000 0.00e+000 - 0 229 227 0 62 2.992 8.520 1 U 0.000e+000 0.00e+000 - 0 243 227 0 63 1.707 8.520 1 U 0.000e+000 0.00e+000 - 0 231 227 0 64 1.585 8.520 1 U 0.000e+000 0.00e+000 - 0 232 227 0 65 1.412 8.520 1 U 0.000e+000 0.00e+000 - 0 239 227 0 66 1.341 8.520 1 U 0.000e+000 0.00e+000 - 0 240 227 0 67 1.192 8.520 1 U 0.000e+000 0.00e+000 - 0 235 227 0 68 4.676 8.632 1 U 0.000e+000 0.00e+000 - 0 254 252 0 69 2.845 8.632 1 U 0.000e+000 0.00e+000 - 0 256 252 0 70 2.790 8.632 1 U 0.000e+000 0.00e+000 - 0 257 252 0 71 4.668 8.654 1 U 0.000e+000 0.00e+000 - 0 27 25 0 72 1.638 8.654 1 U 0.000e+000 0.00e+000 - 0 29 25 0 73 1.559 8.654 1 U 0.000e+000 0.00e+000 - 0 30 25 0 74 1.464 8.654 1 U 0.000e+000 0.00e+000 - 0 33 25 0 75 0.927 8.654 1 U 0.000e+000 0.00e+000 - 0 367 25 0 76 0.856 8.654 1 U 0.000e+000 0.00e+000 - 0 368 25 0 ; 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-aliphatic . . 10 ppm . . . 4.7 . . 36124 1 stop_ save_