######################### # 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 53033 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'Peak table for TS-B1AR-car-arr2-V2Rpp' _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 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _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 ; VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d NULLVALUE -666 NULLSTRING * 6 111.678 628.538 2.475 5.620 118.864 8.627 7229.026 5177.374 4.879 9.211 47.650 54.059 109 114 622 636 +1.697995e+07 +1.346911e+06 +8.466108e+08 0.00000 1 320 4 2 34 110.048 703.722 3.363 5.620 119.126 7.892 7244.943 4736.138 5.132 7.122 50.121 41.795 108 112 701 706 +9.300203e+06 +1.332486e+06 +2.138780e+08 0.00001 1 280 23 2 47 110.263 595.494 2.647 4.669 119.091 8.950 7242.843 5371.301 4.977 6.900 48.604 40.494 107 112 591 598 +5.553631e+06 +1.778180e+06 +0.000000e+00 0.00006 1 226 31 1 48 103.279 592.576 2.647 4.669 120.212 8.979 7311.047 5388.425 4.977 6.900 48.604 40.494 100 105 589 596 +5.250214e+06 +1.778180e+06 +0.000000e+00 0.00016 1 56 32 1 50 90.648 608.063 2.647 4.669 122.241 8.827 7434.396 5297.537 4.977 6.900 48.604 40.494 87 93 604 612 +4.353506e+06 +1.778180e+06 +0.000000e+00 0.00249 1 230 33 1 51 130.918 768.991 2.647 4.669 115.774 7.254 7041.131 4353.089 4.977 6.900 48.604 40.494 127 133 764 772 +6.359172e+06 +1.778180e+06 +0.000000e+00 0.00000 1 314 29 2 52 90.797 737.568 2.647 4.669 122.217 7.561 7432.945 4537.500 4.977 6.900 48.604 40.494 87 93 733 741 +5.254397e+06 +1.778180e+06 +0.000000e+00 0.00016 1 125 22 3 53 70.290 699.637 2.647 4.669 125.510 7.932 7633.206 4760.110 4.977 6.900 48.604 40.494 67 73 695 703 +5.342766e+06 +1.778180e+06 +0.000000e+00 0.00012 1 202 19 2 54 109.669 716.470 2.647 4.669 119.186 7.767 7248.647 4661.319 4.977 6.900 48.604 40.494 106 112 712 720 +6.101064e+06 +1.778180e+06 +0.000000e+00 0.00001 1 62 34 3 56 99.267 720.959 2.647 4.669 120.857 7.723 7350.229 4634.975 4.977 6.900 48.604 40.494 96 102 716 724 +4.383026e+06 +1.778180e+06 +0.000000e+00 0.00230 1 160 35 1 57 106.697 706.146 2.647 4.669 119.664 7.868 7277.671 4721.911 4.977 6.900 48.604 40.494 103 109 702 710 +5.364329e+06 +1.778180e+06 +0.000000e+00 0.00011 1 102 23 2 58 96.146 629.834 2.647 4.669 121.358 8.614 7380.704 5169.766 4.977 6.900 48.604 40.494 93 99 625 633 +5.159332e+06 +1.778180e+06 +0.000000e+00 0.00022 1 60 36 1 61 181.680 673.104 2.647 4.669 107.624 8.191 6545.416 4915.828 4.977 6.900 48.604 40.494 178 185 668 677 +5.337404e+06 +1.778180e+06 +0.000000e+00 0.00012 1 172 39 1 ; 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 . . 1H 1 NH . 'not observed' 12019.2307692308 Hz . . . . . . 53033 1 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53033 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53033 1 stop_ save_