######################### # 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 34802 _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 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 3 #FORMAT xeasy3D #INAME 1 H #INAME 2 HC #INAME 3 C #SPECTRUM C13NOESY H HC C 1 4.030 4.301 55.973 1 T 2.257e+04 0.00e+00 a 0 - - - 2 1.967 4.322 55.772 1 T 8.133e+04 0.00e+00 a 0 - - - 3 1.925 4.354 55.993 1 T 6.266e+04 0.00e+00 a 0 - - - 4 1.643 4.379 56.025 1 T 2.811e+04 0.00e+00 a 0 - - - 5 1.599 4.342 55.908 1 T 5.796e+04 0.00e+00 a 0 - - - 6 1.581 4.329 55.878 1 T 6.063e+04 0.00e+00 a 0 - - - 7 1.339 4.354 56.024 1 T 7.017e+04 0.00e+00 a 0 - - - 8 1.344 4.330 55.927 1 T 7.976e+04 0.00e+00 a 0 - - - 9 4.634 4.304 56.177 1 T 2.101e+04 0.00e+00 a 0 - - - 10 8.232 4.351 55.906 1 T 2.825e+04 0.00e+00 a 0 - - - 11 8.242 4.324 55.810 1 T 2.202e+04 0.00e+00 a 0 - - - 12 7.558 4.349 55.974 1 T 3.670e+04 0.00e+00 a 0 - - - 13 7.554 4.332 55.810 1 T 3.181e+04 0.00e+00 a 0 - - - 14 4.582 1.417 18.198 1 T 2.213e+04 0.00e+00 a 0 - - - 15 4.109 1.418 18.313 1 T 1.939e+05 0.00e+00 a 0 - - - 16 1.338 1.820 37.889 1 T 3.482e+04 0.00e+00 a 0 - - - 18 0.775 1.812 38.013 1 T 4.853e+04 0.00e+00 a 0 - - - 19 7.343 1.816 37.907 1 T 1.854e+04 0.00e+00 a 0 - - - 20 1.370 5.402 50.284 1 T 8.116e+04 0.00e+00 a 0 - - - 21 1.171 5.405 50.227 1 T 2.155e+04 0.00e+00 a 0 - 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- - 1658 6.483 0.889 23.868 1 T 6.041e+04 0.00e+00 a 0 - - - 1659 5.001 0.887 23.906 1 T 8.160e+04 0.00e+00 a 0 - - - 1660 0.894 1.729 33.881 1 T 2.177e+04 0.00e+00 a 0 - - - 1661 4.613 1.738 33.891 1 T 2.679e+04 0.00e+00 a 0 - - - 1662 3.082 1.758 33.897 1 T 3.213e+04 0.00e+00 a 0 - - - 1663 3.016 1.727 34.130 1 T 2.297e+04 0.00e+00 a 0 - - - 1664 2.155 1.754 33.664 1 T 3.501e+04 0.00e+00 a 0 - - - 1665 2.121 1.738 33.786 1 T 3.504e+04 0.00e+00 a 0 - - - 1666 2.112 1.704 33.662 1 T 2.419e+04 0.00e+00 a 0 - - - 1667 1.454 1.701 33.735 1 T 9.457e+04 0.00e+00 a 0 - - - 1668 4.603 1.761 33.885 1 T 2.246e+04 0.00e+00 a 0 - - - 1669 2.385 1.803 33.526 1 T 2.629e+04 0.00e+00 a 0 - - - 1670 2.172 2.541 31.996 1 T 2.123e+04 0.00e+00 a 0 - - - 1671 1.923 2.532 31.846 1 T 2.097e+04 0.00e+00 a 0 - - - 1672 2.052 3.922 50.707 1 T 6.340e+04 0.00e+00 a 0 - - - 1673 4.588 3.921 50.718 1 T 8.885e+04 0.00e+00 a 0 - - - 1674 3.835 5.138 56.732 1 T 4.799e+04 0.00e+00 a 0 - - - 1675 8.979 5.149 56.739 1 T 7.362e+04 0.00e+00 a 0 - 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- - 1807 4.556 1.770 42.015 1 T 2.958e+04 0.00e+00 a 0 - - - 1808 8.830 1.773 41.913 1 T 2.197e+04 0.00e+00 a 0 - - - 1809 8.208 1.769 42.124 1 T 2.048e+04 0.00e+00 a 0 - - - 1810 1.051 5.157 60.888 1 T 4.028e+04 0.00e+00 a 0 - - - 1811 1.016 5.130 60.827 1 T 3.897e+04 0.00e+00 a 0 - - - 1812 1.008 5.121 60.891 1 T 3.564e+04 0.00e+00 a 0 - - - 1813 0.856 5.136 60.863 1 T 4.109e+04 0.00e+00 a 0 - - - 1814 9.456 5.141 60.745 1 T 4.657e+04 0.00e+00 a 0 - - - 1815 5.297 2.028 34.013 1 T 2.485e+04 0.00e+00 a 0 - - - 1816 4.561 0.763 13.205 1 T 3.619e+04 0.00e+00 a 0 - - - 1817 2.207 0.761 13.270 1 T 3.604e+04 0.00e+00 a 0 - - - 1818 1.959 0.769 13.300 1 T 3.173e+04 0.00e+00 a 0 - - - 1819 1.728 0.765 13.266 1 T 7.524e+04 0.00e+00 a 0 - - - 1820 1.490 0.766 13.185 1 T 1.536e+05 0.00e+00 a 0 - - - 1821 9.117 4.336 57.608 1 T 1.690e+04 0.00e+00 a 0 - - - 1822 7.949 5.210 60.058 1 T 1.594e+04 0.00e+00 a 0 - - - 1823 8.553 4.510 59.761 1 T 1.822e+04 0.00e+00 a 0 - - - 1824 0.772 3.608 58.173 1 T 1.590e+04 0.00e+00 a 0 - - - 1825 8.453 4.357 58.373 1 T 1.284e+04 0.00e+00 a 0 - - - 1826 4.772 5.396 50.611 1 T 2.465e+04 0.00e+00 a 0 - - - 1827 1.605 3.919 50.790 1 T 1.745e+04 0.00e+00 a 0 - - - 1828 0.900 3.920 50.790 1 T 1.205e+04 0.00e+00 a 0 - - - 1829 0.796 1.553 43.656 1 T 5.685e+04 0.00e+00 a 0 - - - 1830 4.741 3.150 43.476 1 T 5.353e+04 0.00e+00 a 0 - - - 1831 4.757 3.081 43.476 1 T 2.718e+04 0.00e+00 a 0 - - - 1832 0.914 1.778 38.903 1 T 6.313e+04 0.00e+00 a 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 . 'not observed' 13.656 ppm . . . 4.7 . . 34802 1 2 . . H 1 HN . 'not observed' 11 ppm . . . 4.7 . . 34802 1 3 . . N 15 N . 'not observed' 35 ppm . . . 119 . . 34802 1 stop_ save_