######################### # 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 36126 _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 3.957 7.925 1 U 0.000e+000 0.00e+000 - 0 344 342 0 3 2.986 7.925 1 U 0.000e+000 0.00e+000 - 0 354 342 0 4 1.630 7.925 1 U 0.000e+000 0.00e+000 - 0 346 342 0 5 1.516 7.925 1 U 0.000e+000 0.00e+000 - 0 347 342 0 6 1.386 7.925 1 U 0.000e+000 0.00e+000 - 0 350 342 0 7 4.364 8.145 1 U 0.000e+000 0.00e+000 - 0 122 120 0 9 2.932 8.145 1 U 0.000e+000 0.00e+000 - 0 124 120 0 10 2.788 8.145 1 U 0.000e+000 0.00e+000 - 0 125 120 0 11 4.067 8.023 1 U 0.000e+000 0.00e+000 - 0 145 143 0 12 1.135 8.023 1 U 0.000e+000 0.00e+000 - 0 146 143 0 13 1.138 8.114 1 U 0.000e+000 0.00e+000 - 0 297 294 0 14 4.033 8.114 1 U 0.000e+000 0.00e+000 - 0 296 294 0 15 4.269 8.261 1 U 0.000e+000 0.00e+000 - 0 278 276 0 16 2.407 8.261 1 U 0.000e+000 0.00e+000 - 0 284 276 0 17 2.285 8.261 1 U 0.000e+000 0.00e+000 - 0 285 276 0 18 1.912 8.261 1 U 0.000e+000 0.00e+000 - 0 280 276 0 19 1.760 8.261 1 U 0.000e+000 0.00e+000 - 0 281 276 0 20 4.494 8.336 1 U 0.000e+000 0.00e+000 - 0 306 304 0 21 3.031 8.336 1 U 0.000e+000 0.00e+000 - 0 308 304 0 22 2.940 8.336 1 U 0.000e+000 0.00e+000 - 0 309 304 0 23 4.456 8.412 1 U 0.000e+000 0.00e+000 - 0 264 262 0 24 2.643 8.412 1 U 0.000e+000 0.00e+000 - 0 266 262 0 25 2.574 8.412 1 U 0.000e+000 0.00e+000 - 0 267 262 0 26 1.314 8.199 1 U 0.000e+000 0.00e+000 - 0 367 199 0 27 4.395 8.199 1 U 0.000e+000 0.00e+000 - 0 201 199 0 28 0.690 8.053 1 U 0.000e+000 0.00e+000 - 0 368 98 0 29 1.242 8.053 1 U 0.000e+000 0.00e+000 - 0 103 98 0 30 1.341 8.053 1 U 0.000e+000 0.00e+000 - 0 102 98 0 31 4.083 8.053 1 U 0.000e+000 0.00e+000 - 0 100 98 0 32 4.090 8.320 1 U 0.000e+000 0.00e+000 - 0 214 212 0 33 2.780 8.320 1 U 0.000e+000 0.00e+000 - 0 228 212 0 34 1.600 8.320 1 U 0.000e+000 0.00e+000 - 0 216 212 0 35 1.485 8.320 1 U 0.000e+000 0.00e+000 - 0 217 212 0 36 1.249 8.320 1 U 0.000e+000 0.00e+000 - 0 220 212 0 37 1.188 8.320 1 U 0.000e+000 0.00e+000 - 0 221 212 0 38 4.054 8.303 1 U 0.000e+000 0.00e+000 - 0 239 237 0 40 2.902 8.303 1 U 0.000e+000 0.00e+000 - 0 0 237 0 41 1.557 8.305 1 U 0.000e+000 0.00e+000 - 0 241 237 0 42 1.481 8.305 1 U 0.000e+000 0.00e+000 - 0 242 237 0 43 1.233 8.305 1 U 0.000e+000 0.00e+000 - 0 245 237 0 44 1.194 8.305 1 U 0.000e+000 0.00e+000 - 0 246 237 0 45 4.060 8.162 1 U 0.000e+000 0.00e+000 - 0 155 153 0 46 1.584 8.162 1 U 0.000e+000 0.00e+000 - 0 157 153 0 47 1.493 8.162 1 U 0.000e+000 0.00e+000 - 0 158 153 0 48 1.264 8.162 1 U 0.000e+000 0.00e+000 - 0 161 153 0 49 1.196 8.162 1 U 0.000e+000 0.00e+000 - 0 162 153 0 50 2.788 8.303 1 U 0.000e+000 0.00e+000 - 0 253 237 0 51 3.980 8.249 1 U 0.000e+000 0.00e+000 - 0 75 73 0 52 2.757 8.249 1 U 0.000e+000 0.00e+000 - 0 89 73 0 53 1.509 8.249 1 U 0.000e+000 0.00e+000 - 0 77 73 0 54 1.214 8.249 1 U 0.000e+000 0.00e+000 - 0 81 73 0 55 1.123 8.249 1 U 0.000e+000 0.00e+000 - 0 82 73 0 56 3.951 8.118 1 U 0.000e+000 0.00e+000 - 0 323 321 0 57 1.660 8.118 1 U 0.000e+000 0.00e+000 - 0 325 321 0 58 1.253 8.118 1 U 0.000e+000 0.00e+000 - 0 332 321 0 59 0.969 8.118 1 U 0.000e+000 0.00e+000 - 0 333 321 0 60 0.714 8.118 1 U 0.000e+000 0.00e+000 - 0 369 321 0 61 0.636 8.118 1 U 0.000e+000 0.00e+000 - 0 370 321 0 62 0.617 8.206 1 U 0.000e+000 0.00e+000 - 0 371 178 0 64 0.695 8.206 1 U 0.000e+000 0.00e+000 - 0 372 178 0 66 1.662 8.206 1 U 0.000e+000 0.00e+000 - 0 182 178 0 67 4.153 8.285 1 U 0.000e+000 0.00e+000 - 0 180 178 0 68 3.973 8.285 1 U 0.000e+000 0.00e+000 - 0 182 178 0 69 0.991 8.285 1 U 0.000e+000 0.00e+000 - 0 372 178 0 70 4.028 8.208 1 U 0.000e+000 0.00e+000 - 0 37 35 0 72 1.315 8.208 1 U 0.000e+000 0.00e+000 - 0 39 35 0 74 0.691 8.208 1 U 0.000e+000 0.00e+000 - 0 373 35 0 75 0.616 8.208 1 U 0.000e+000 0.00e+000 - 0 374 35 0 76 0.622 8.053 1 U 0.000e+000 0.00e+000 - 0 375 98 0 77 4.391 8.412 1 U 0.000e+000 0.00e+000 - 0 14 12 0 78 3.025 8.412 1 U 0.000e+000 0.00e+000 - 0 16 12 0 79 2.930 8.412 1 U 0.000e+000 0.00e+000 - 0 40 12 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 . . 36126 1 stop_ save_