######################### # 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 34222 _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.Experiment_ID 3 _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 ; # Number of dimensions 2 # INAME 1 H1y # INAME 2 H1x 17 4.716 7.965 1 U 4.457e+04 0.00e+00 - 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0 29 0 0 531 2.960 7.291 1 U 4.461e+04 0.00e+00 - 0 31 133 0 532 7.196 7.196 1 U 1.642e+06 0.00e+00 - 0 132 132 0 533 1.707 8.463 1 U 4.018e+04 0.00e+00 - 0 124 2 0 534 1.827 8.463 1 U 5.546e+04 0.00e+00 - 0 131 2 0 535 2.127 8.465 1 U 1.895e+04 0.00e+00 - 0 130 2 0 536 9.190 7.199 1 U 1.832e+04 0.00e+00 - 0 27 132 0 537 7.197 9.190 1 U 1.250e+04 0.00e+00 - 0 132 27 0 539 7.643 8.005 1 U 2.850e+04 0.00e+00 - 0 95 81 0 540 8.005 7.643 1 U 3.200e+04 0.00e+00 - 0 81 95 0 541 0.770 7.299 1 U 1.980e+04 0.00e+00 - 0 57 69 0 542 0.770 8.005 1 U 1.020e+04 0.00e+00 - 0 57 81 0 543 0.466 7.197 1 U 1.870e+04 0.00e+00 - 0 61 132 0 544 0.770 7.200 1 U 8.431e+03 0.00e+00 - 0 57 132 0 545 0.770 7.643 1 U 5.014e+03 0.00e+00 - 0 57 95 0 546 1.270 7.202 1 U 9.995e+03 0.00e+00 - 0 58 132 0 547 2.127 8.000 1 U 1.343e+04 0.00e+00 - 0 130 9 0 548 1.827 8.000 1 U 2.388e+04 0.00e+00 - 0 131 9 0 549 1.532 8.000 1 U 2.005e+04 0.00e+00 - 0 127 9 0 550 4.120 7.076 1 U 1.035e+04 0.00e+00 - 0 29 102 0 551 3.096 7.643 1 U 1.114e+04 0.00e+00 - 0 13 95 0 552 3.062 7.014 1 U 7.783e+03 0.00e+00 - 0 32 99 0 553 3.416 7.016 1 U 5.030e+03 0.00e+00 - 0 86 99 0 554 2.972 7.999 1 U 7.474e+03 0.00e+00 - 0 0 0 0 555 4.988 4.988 1 U 4.773e+03 0.00e+00 - 0 11 11 0 556 4.707 4.707 1 U 3.998e+04 0.00e+00 - 0 83 83 0 557 7.291 7.291 1 U -2.591e+06 0.00e+00 - 0 133 133 0 558 4.716 7.211 1 U 2.610e+04 0.00e+00 - 0 108 129 0 559 4.120 6.761 1 U 1.721e+04 0.00e+00 - 0 29 0 0 561 4.707 7.965 1 U 4.349e+04 0.00e+00 - 0 83 0 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 . . 16 ppm . . . 4.76 . . 34222 1 2 . . H 1 H . . 16 ppm . . . 4.76 . . 34222 1 stop_ save_