######################### # 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 36125 _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 TOCSY' _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 4.270 7.959 1 U 0.000e+000 0.00e+000 - 0 360 360 0 3 3.035 7.959 1 U 0.000e+000 0.00e+000 - 0 362 360 0 4 2.786 7.959 1 U 0.000e+000 0.00e+000 - 0 363 360 0 5 4.373 8.077 1 U 0.000e+000 0.00e+000 - 0 112 110 0 6 2.945 8.077 1 U 0.000e+000 0.00e+000 - 0 114 110 0 7 2.800 8.077 1 U 0.000e+000 0.00e+000 - 0 115 110 0 8 4.477 8.263 1 U 0.000e+000 0.00e+000 - 0 296 294 0 9 3.028 8.263 1 U 0.000e+000 0.00e+000 - 0 298 294 0 10 2.931 8.263 1 U 0.000e+000 0.00e+000 - 0 299 294 0 11 4.221 8.286 1 U 0.000e+000 0.00e+000 - 0 334 332 0 12 3.007 8.286 1 U 0.000e+000 0.00e+000 - 0 344 332 0 13 1.696 8.286 1 U 0.000e+000 0.00e+000 - 0 336 332 0 14 1.579 8.286 1 U 0.000e+000 0.00e+000 - 0 337 332 0 15 1.434 8.286 1 U 0.000e+000 0.00e+000 - 0 340 332 0 16 4.249 8.197 1 U 0.000e+000 0.00e+000 - 0 268 266 0 17 2.400 8.197 1 U 0.000e+000 0.00e+000 - 0 274 266 0 18 2.303 8.197 1 U 0.000e+000 0.00e+000 - 0 275 266 0 19 1.917 8.197 1 U 0.000e+000 0.00e+000 - 0 270 266 0 20 1.758 8.197 1 U 0.000e+000 0.00e+000 - 0 271 266 0 21 4.035 8.057 1 U 0.000e+000 0.00e+000 - 0 286 284 0 22 1.122 8.057 1 U 0.000e+000 0.00e+000 - 0 367 284 0 23 4.071 7.983 1 U 0.000e+000 0.00e+000 - 0 135 133 0 24 1.137 7.983 1 U 0.000e+000 0.00e+000 - 0 368 133 0 25 4.460 8.350 1 U 0.000e+000 0.00e+000 - 0 254 252 0 26 2.636 8.350 1 U 0.000e+000 0.00e+000 - 0 256 252 0 27 2.557 8.350 1 U 0.000e+000 0.00e+000 - 0 257 252 0 28 4.691 8.360 1 U 0.000e+000 0.00e+000 - 0 27 25 0 29 1.396 8.360 1 U 0.000e+000 0.00e+000 - 0 0 25 0 30 1.403 8.360 1 U 0.000e+000 0.00e+000 - 0 29 25 0 31 1.324 8.360 1 U 0.000e+000 0.00e+000 - 0 30 25 0 32 0.697 8.360 1 U 0.000e+000 0.00e+000 - 0 369 25 0 34 4.153 8.205 1 U 0.000e+000 0.00e+000 - 0 193 189 0 35 4.691 8.205 1 U 0.000e+000 0.00e+000 - 0 191 189 0 36 0.984 8.204 1 U 0.000e+000 0.00e+000 - 0 370 189 0 37 3.963 7.994 1 U 0.000e+000 0.00e+000 - 0 313 311 0 38 1.649 7.994 1 U 0.000e+000 0.00e+000 - 0 315 311 0 41 1.133 7.994 1 U 0.000e+000 0.00e+000 - 0 322 311 0 42 0.689 7.994 1 U 0.000e+000 0.00e+000 - 0 371 311 0 43 0.610 7.994 1 U 0.000e+000 0.00e+000 - 0 372 311 0 44 4.094 7.998 1 U 0.000e+000 0.00e+000 - 0 90 88 0 45 1.339 7.998 1 U 0.000e+000 0.00e+000 - 0 92 88 0 46 1.230 7.998 1 U 0.000e+000 0.00e+000 - 0 93 88 0 47 0.690 7.998 1 U 0.000e+000 0.00e+000 - 0 373 88 0 48 0.610 7.998 1 U 0.000e+000 0.00e+000 - 0 374 88 0 49 1.131 7.998 1 U 0.000e+000 0.00e+000 - 0 96 88 0 50 4.035 8.119 1 U 0.000e+000 0.00e+000 - 0 170 168 0 51 1.663 8.119 1 U 0.000e+000 0.00e+000 - 0 172 168 0 52 1.274 8.119 1 U 0.000e+000 0.00e+000 - 0 179 168 0 53 0.993 8.119 1 U 0.000e+000 0.00e+000 - 0 180 168 0 54 0.697 8.119 1 U 0.000e+000 0.00e+000 - 0 375 168 0 55 0.625 8.119 1 U 0.000e+000 0.00e+000 - 0 376 168 0 57 4.100 8.248 1 U 0.000e+000 0.00e+000 - 0 204 202 0 58 2.788 8.248 1 U 0.000e+000 0.00e+000 - 0 218 202 0 59 1.624 8.248 1 U 0.000e+000 0.00e+000 - 0 206 202 0 60 1.201 8.248 1 U 0.000e+000 0.00e+000 - 0 210 202 0 61 1.467 8.248 1 U 0.000e+000 0.00e+000 - 0 214 202 0 62 3.999 8.232 1 U 0.000e+000 0.00e+000 - 0 229 227 0 65 2.773 8.232 1 U 0.000e+000 0.00e+000 - 0 243 227 0 66 1.598 8.232 1 U 0.000e+000 0.00e+000 - 0 231 227 0 67 1.498 8.232 1 U 0.000e+000 0.00e+000 - 0 239 227 0 68 1.224 8.232 1 U 0.000e+000 0.00e+000 - 0 235 227 0 69 4.062 8.092 1 U 0.000e+000 0.00e+000 - 0 145 143 0 70 1.576 8.092 1 U 0.000e+000 0.00e+000 - 0 147 143 0 71 1.504 8.092 1 U 0.000e+000 0.00e+000 - 0 148 143 0 72 1.364 8.092 1 U 0.000e+000 0.00e+000 - 0 155 143 0 73 1.266 8.092 1 U 0.000e+000 0.00e+000 - 0 151 143 0 74 1.200 8.092 1 U 0.000e+000 0.00e+000 - 0 152 143 0 78 1.137 8.184 1 U 0.000e+000 0.00e+000 - 0 71 63 0 79 1.494 8.184 1 U 0.000e+000 0.00e+000 - 0 67 63 0 82 1.377 8.205 1 U 0.000e+000 0.00e+000 - 0 0 63 0 83 3.975 8.184 1 U 0.000e+000 0.00e+000 - 0 65 63 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 HN . . 10 ppm . . . 4.7 . . 36125 1 stop_ save_