######################### # 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 31002 _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 '2D 1H-1H ROESY' _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 #FORMAT xeasy2D #INAME 1 H1 #INAME 2 H2 #SPECTRUM NOESY H1 H2 1 3.635 7.792 1 U 1.030000E+07 0.000000E+00 e 0 0 0 2 0.908 7.470 1 U 4.400000E+07 0.000000E+00 e 0 0 0 3 0.966 7.469 1 U 2.490000E+07 0.000000E+00 e 0 0 0 4 4.395 7.470 1 U 2.730000E+07 0.000000E+00 e 0 0 0 5 4.533 7.470 1 U 2.430000E+07 0.000000E+00 e 0 0 0 6 4.599 7.467 1 U 1.530000E+07 0.000000E+00 e 0 0 0 7 4.595 7.791 1 U 1.070000E+07 0.000000E+00 e 0 0 0 8 4.531 7.799 1 U 4.110000E+06 0.000000E+00 e 0 0 0 9 3.636 7.469 1 U 2.840000E+06 0.000000E+00 e 0 0 0 10 5.008 7.796 1 U 1.920000E+06 0.000000E+00 e 0 0 0 11 4.391 7.797 1 U 7.150000E+06 0.000000E+00 e 0 0 0 12 2.138 7.795 1 U 2.320000E+07 0.000000E+00 e 0 0 0 13 2.138 7.468 1 U 3.470000E+07 0.000000E+00 e 0 0 0 14 2.817 7.468 1 U 4.050000E+07 0.000000E+00 e 0 0 0 15 1.270 7.797 1 U 7.520000E+07 0.000000E+00 e 0 0 0 16 0.915 7.794 1 U 1.700000E+07 0.000000E+00 e 0 0 0 17 0.967 7.793 1 U 8.000000E+06 0.000000E+00 e 0 0 0 18 1.274 7.468 1 U 6.560000E+06 0.000000E+00 e 0 0 0 19 7.473 7.793 1 U 9.760000E+07 0.000000E+00 e 0 0 0 20 7.791 7.468 1 U 8.820000E+07 0.000000E+00 e 0 0 0 21 5.019 1.270 1 U 2.140000E+07 0.000000E+00 e 0 0 0 22 2.140 0.904 1 U 1.550000E+08 0.000000E+00 e 0 0 0 23 2.139 0.962 1 U 1.270000E+08 0.000000E+00 e 0 0 0 24 2.819 0.907 1 U 3.250000E+07 0.000000E+00 e 0 0 0 25 2.816 0.968 1 U 6.210000E+07 0.000000E+00 e 0 0 0 26 4.390 0.906 1 U 4.420000E+07 0.000000E+00 e 0 0 0 27 4.398 0.966 1 U 4.750000E+07 0.000000E+00 e 0 0 0 28 7.473 0.907 1 U 7.280000E+07 0.000000E+00 e 0 0 0 29 7.471 0.965 1 U 2.810000E+07 0.000000E+00 e 0 0 0 30 7.801 0.907 1 U 2.050000E+07 0.000000E+00 e 0 0 0 31 7.784 0.966 1 U 2.190000E+07 0.000000E+00 e 0 0 0 32 1.685 4.537 1 U 1.410000E+07 0.000000E+00 e 0 0 0 33 1.455 4.542 1 U 1.880000E+07 0.000000E+00 e 0 0 0 34 0.987 4.541 1 U 1.100000E+07 0.000000E+00 e 0 0 0 35 0.937 4.534 1 U 5.930000E+07 0.000000E+00 e 0 0 0 36 1.922 4.533 1 U 5.000000E+06 0.000000E+00 e 0 0 0 37 2.044 4.534 1 U 6.420000E+07 0.000000E+00 e 0 0 0 38 2.817 4.537 1 U 1.460000E+07 0.000000E+00 e 0 0 0 39 7.472 4.534 1 U 2.380000E+07 0.000000E+00 e 0 0 0 40 7.803 4.534 1 U 5.200000E+06 0.000000E+00 e 0 0 0 41 7.465 4.394 1 U 5.220000E+05 0.000000E+00 e 0 0 0 42 7.789 4.396 1 U 8.850000E+06 0.000000E+00 e 0 0 0 43 7.471 4.598 1 U 1.510000E+07 0.000000E+00 e 0 0 0 44 7.786 4.601 1 U 1.220000E+07 0.000000E+00 e 0 0 0 45 1.690 0.980 1 U 8.750000E+07 0.000000E+00 e 0 0 0 46 1.691 0.932 1 U 2.330000E+07 0.000000E+00 e 0 0 0 47 1.459 0.928 1 U 2.400000E+08 0.000000E+00 e 0 0 0 48 1.458 0.975 1 U 2.540000E+08 0.000000E+00 e 0 0 0 49 2.044 0.982 1 U 7.040000E+07 0.000000E+00 e 0 0 0 50 2.043 0.932 1 U 8.300000E+07 0.000000E+00 e 0 0 0 51 4.537 0.932 1 U 6.610000E+07 0.000000E+00 e 0 0 0 52 4.528 0.982 1 U 1.720000E+07 0.000000E+00 e 0 0 0 53 3.636 2.360 1 U 1.500000E+07 0.000000E+00 e 0 0 0 54 3.774 2.355 1 U 4.190000E+07 0.000000E+00 e 0 0 0 55 3.636 2.075 1 U 1.230000E+07 0.000000E+00 e 0 0 0 56 3.635 1.923 1 U 4.600000E+07 0.000000E+00 e 0 0 0 57 3.772 1.923 1 U 8.030000E+06 0.000000E+00 e 0 0 0 58 3.637 2.003 1 U 6.110000E+06 0.000000E+00 e 0 0 0 59 3.774 2.011 1 U 1.030000E+07 0.000000E+00 e 0 0 0 60 3.778 2.069 1 U 4.450000E+06 0.000000E+00 e 0 0 0 61 2.358 1.921 1 U 1.380000E+08 0.000000E+00 e 0 0 0 62 1.918 2.365 1 U 1.090000E+08 0.000000E+00 e 0 0 0 63 2.053 2.363 1 U 3.620000E+07 0.000000E+00 e 0 0 0 64 2.092 1.919 1 U 1.030000E+07 0.000000E+00 e 0 0 0 65 2.369 2.010 1 U 5.070000E+07 0.000000E+00 e 0 0 0 66 4.597 1.928 1 U 1.690000E+07 0.000000E+00 e 0 0 0 67 4.598 2.013 1 U 2.180000E+07 0.000000E+00 e 0 0 0 68 4.598 2.079 1 U 5.650000E+07 0.000000E+00 e 0 0 0 69 3.773 3.624 1 U 2.380000E+08 0.000000E+00 e 0 0 0 70 3.631 3.775 1 U 2.560000E+08 0.000000E+00 e 0 0 0 71 2.352 3.773 1 U 4.160000E+07 0.000000E+00 e 0 0 0 72 2.356 3.639 1 U 1.180000E+07 0.000000E+00 e 0 0 0 73 2.086 3.631 1 U 1.100000E+07 0.000000E+00 e 0 0 0 74 2.063 3.768 1 U 3.930000E+06 0.000000E+00 e 0 0 0 75 2.003 3.770 1 U 7.700000E+06 0.000000E+00 e 0 0 0 76 1.994 3.637 1 U 6.820000E+06 0.000000E+00 e 0 0 0 77 1.912 3.773 1 U 8.800000E+06 0.000000E+00 e 0 0 0 78 1.925 3.632 1 U 4.960000E+07 0.000000E+00 e 0 0 0 79 1.273 3.768 1 U 6.570000E+06 0.000000E+00 e 0 0 0 80 5.000 3.769 1 U 7.790000E+06 0.000000E+00 e 0 0 0 81 5.004 3.633 1 U 5.110000E+06 0.000000E+00 e 0 0 0 82 7.796 3.632 1 U 6.110000E+06 0.000000E+00 e 0 0 0 83 1.688 2.817 1 U 1.940000E+08 0.000000E+00 e 0 0 0 84 1.458 2.818 1 U 5.050000E+07 0.000000E+00 e 0 0 0 85 0.966 2.817 1 U 7.110000E+07 0.000000E+00 e 0 0 0 86 7.473 2.818 1 U 6.500000E+07 0.000000E+00 e 0 0 0 87 3.634 5.002 1 U 7.760000E+07 0.000000E+00 e 0 0 0 88 3.772 5.002 1 U 7.430000E+07 0.000000E+00 e 0 0 0 89 4.409 5.004 1 U 3.560000E+06 0.000000E+00 e 0 0 0 90 4.597 5.001 1 U 3.860000E+06 0.000000E+00 e 0 0 0 91 1.272 5.009 1 U 9.590000E+07 0.000000E+00 e 0 0 0 92 7.806 4.999 1 U 3.420000E+07 0.000000E+00 e 0 0 0 93 4.603 4.534 1 U 1.980000E+08 0.000000E+00 e 0 0 0 94 4.506 4.599 1 U 2.570000E+08 0.000000E+00 e 0 0 0 95 2.070 4.600 1 U 8.890000E+07 0.000000E+00 e 0 0 0 96 1.996 4.608 1 U 2.320000E+07 0.000000E+00 e 0 0 0 97 1.928 4.598 1 U 3.060000E+07 0.000000E+00 e 0 0 0 98 2.348 4.597 1 U 5.010000E+06 0.000000E+00 e 0 0 0 99 0.934 4.598 1 U 2.660000E+07 0.000000E+00 e 0 0 0 100 1.452 4.596 1 U 5.820000E+06 0.000000E+00 e 0 0 0 101 1.273 4.598 1 U 4.400000E+06 0.000000E+00 e 0 0 0 102 0.989 4.600 1 U 5.000000E+06 0.000000E+00 e 0 0 0 103 2.813 4.601 1 U 7.040000E+06 0.000000E+00 e 0 0 0 104 4.575 3.764 1 U 2.690000E+06 0.000000E+00 e 0 0 0 105 4.590 3.634 1 U 4.450000E+06 0.000000E+00 e 0 0 0 106 4.598 2.819 1 U 1.000000E+07 0.000000E+00 e 0 0 0 107 3.754 4.596 1 U 1.040000E+07 0.000000E+00 e 0 0 0 108 3.639 4.603 1 U 9.440000E+06 0.000000E+00 e 0 0 0 109 0.940 2.350 1 U 1.560000E+07 0.000000E+00 e 0 0 0 110 1.436 2.353 1 U 5.740000E+06 0.000000E+00 e 0 0 0 111 1.436 2.062 1 U 3.690000E+07 0.000000E+00 e 0 0 0 112 0.930 2.044 1 U 3.770000E+07 0.000000E+00 e 0 0 0 113 0.978 2.045 1 U 2.620000E+07 0.000000E+00 e 0 0 0 114 2.816 1.451 1 U 2.270000E+07 0.000000E+00 e 0 0 0 115 2.817 1.687 1 U 9.510000E+07 0.000000E+00 e 0 0 0 116 2.342 1.455 1 U 4.860000E+06 0.000000E+00 e 0 0 0 117 0.961 1.456 1 U 8.550000E+07 0.000000E+00 e 0 0 0 118 4.598 2.348 1 U 1.880000E+06 0.000000E+00 e 0 0 0 119 1.250 3.639 1 U 7.390000E+06 0.000000E+00 e 0 0 0 120 0.961 1.927 1 U 9.840000E+06 0.000000E+00 e 0 0 0 121 0.896 1.927 1 U 9.890000E+06 0.000000E+00 e 0 0 0 122 1.989 2.365 1 U 3.150000E+07 0.000000E+00 e 0 0 0 123 2.046 1.685 1 U 3.320000E+08 0.000000E+00 e 0 0 0 124 1.686 2.049 1 U 2.710000E+08 0.000000E+00 e 0 0 0 125 1.671 1.452 1 U 3.120000E+07 0.000000E+00 e 0 0 0 126 1.445 1.685 1 U 1.500000E+07 0.000000E+00 e 0 0 0 127 0.978 1.686 1 U 5.120000E+07 0.000000E+00 e 0 0 0 128 4.532 1.685 1 U 1.090000E+07 0.000000E+00 e 0 0 0 129 4.538 1.450 1 U 1.350000E+07 0.000000E+00 e 0 0 0 130 7.785 1.271 1 U 8.290000E+07 0.000000E+00 e 0 0 0 131 7.795 2.141 1 U 1.210000E+07 0.000000E+00 e 0 0 0 132 4.392 2.140 1 U 3.920000E+07 0.000000E+00 e 0 0 0 133 7.473 2.138 1 U 2.390000E+07 0.000000E+00 e 0 0 0 134 7.477 3.632 1 U 2.660000E+06 0.000000E+00 e 0 0 0 135 0.901 4.394 1 U 3.780000E+07 0.000000E+00 e 0 0 0 136 0.965 4.394 1 U 6.470000E+07 0.000000E+00 e 0 0 0 137 2.137 4.395 1 U 7.570000E+07 0.000000E+00 e 0 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 . . 9615 Hz . . . 4.97 . 2 31002 1 2 . . H 1 H . . 9597 Hz . . . 4.967 . 1 31002 1 stop_ save_