######################### # 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 30843 _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 2 _Spectral_peak_list.Experiment_name '2D 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 1 7.270 9.920 1 U 79.120 0 e 0 0 0 2 7.080 9.920 1 U 166.630 0 e 0 0 0 3 6.990 9.910 1 U 2.130 0 e 0 0 0 4 4.610 8.960 1 U 8.850 0 e 0 0 0 5 3.830 8.920 1 U 312.320 0 e 0 0 0 6 2.240 8.920 1 U 32.290 0 e 0 0 0 7 2.510 8.920 1 U 44.190 0 e 0 0 0 8 4.260 8.920 1 U 371.480 0 e 0 0 0 9 8.120 8.920 1 U 83.050 0 e 0 0 0 10 2.300 8.920 1 U 52.330 0 e 0 0 0 11 2.090 8.920 1 U 11.250 0 e 0 0 0 12 2.140 8.920 1 U 15.730 0 e 0 0 0 13 4.670 8.900 1 U 8.640 0 e 0 0 0 14 4.980 8.900 1 U 22.480 0 e 0 0 0 15 1.410 8.900 1 U 137.700 0 e 0 0 0 16 2.510 8.900 1 U 50.400 0 e 0 0 0 17 2.300 8.900 1 U 13.660 0 e 0 0 0 18 4.260 8.900 1 U 163.110 0 e 0 0 0 19 7.900 8.900 1 U 15.370 0 e 0 0 0 20 3.050 8.670 1 U 124.490 0 e 0 0 0 21 3.760 8.670 1 U 194.280 0 e 0 0 0 22 4.300 8.670 1 U 81.940 0 e 0 0 0 23 2.480 8.670 1 U 48.390 0 e 0 0 0 24 7.030 8.670 1 U 11.690 0 e 0 0 0 25 6.720 8.670 1 U 1.470 0 e 0 0 0 26 4.540 8.670 1 U 215.660 0 e 0 0 0 27 8.220 8.670 1 U 14.420 0 e 0 0 0 28 2.800 8.490 1 U 253.980 0 e 0 0 0 29 4.560 8.490 1 U 6.730 0 e 0 0 0 30 4.980 8.490 1 U 67.770 0 e 0 0 0 31 4.300 8.490 1 U 13.850 0 e 0 0 0 32 2.080 8.490 1 U 20.560 0 e 0 0 0 33 0.730 8.490 1 U 21.890 0 e 0 0 0 34 1.550 8.490 1 U 72.500 0 e 0 0 0 35 1.650 8.490 1 U 28.360 0 e 0 0 0 36 5.520 8.490 1 U 204.050 0 e 0 0 0 37 2.200 8.490 1 U 124.770 0 e 0 0 0 38 1.200 8.490 1 U 71.620 0 e 0 0 0 39 7.310 8.490 1 U 2.070 0 e 0 0 0 40 1.860 8.490 1 U 16.640 0 e 0 0 0 41 3.050 8.490 1 U 6.310 0 e 0 0 0 42 2.480 8.490 1 U 19.140 0 e 0 0 0 43 1.440 8.490 1 U 46.530 0 e 0 0 0 44 7.810 8.490 1 U 9.030 0 e 0 0 0 45 3.280 8.490 1 U 7.350 0 e 0 0 0 46 6.720 8.490 1 U 24.110 0 e 0 0 0 47 3.940 8.490 1 U 5.680 0 e 0 0 0 48 8.220 8.490 1 U 18.840 0 e 0 0 0 49 3.570 8.460 1 U 9.250 0 e 0 0 0 50 3.760 8.460 1 U 86.400 0 e 0 0 0 51 4.690 8.460 1 U 153.030 0 e 0 0 0 52 3.650 8.460 1 U 2.810 0 e 0 0 0 53 7.780 8.460 1 U 14.180 0 e 0 0 0 54 4.340 8.450 1 U 22.430 0 e 0 0 0 55 1.440 8.390 1 U 12.410 0 e 0 0 0 56 1.550 8.390 1 U 163.730 0 e 0 0 0 57 2.480 8.390 1 U 136.440 0 e 0 0 0 58 4.540 8.390 1 U 86.890 0 e 0 0 0 59 3.950 8.390 1 U 266.010 0 e 0 0 0 60 0.730 8.390 1 U 41.030 0 e 0 0 0 61 2.200 8.390 1 U 17.370 0 e 0 0 0 62 2.800 8.390 1 U 20.120 0 e 0 0 0 63 3.050 8.390 1 U 40.650 0 e 0 0 0 64 7.040 8.390 1 U 76.930 0 e 0 0 0 65 6.720 8.390 1 U 5.260 0 e 0 0 0 66 -0.520 8.390 1 U 4.170 0 e 0 0 0 67 1.190 8.390 1 U 7.450 0 e 0 0 0 68 7.780 8.390 1 U 6.610 0 e 0 0 0 69 7.310 8.230 1 U 5.220 0 e 0 0 0 70 4.300 8.230 1 U 425.070 0 e 0 0 0 71 2.800 8.230 1 U 7.450 0 e 0 0 0 72 4.580 8.230 1 U 95.210 0 e 0 0 0 73 4.430 8.230 1 U 0.950 0 e 0 0 0 74 3.760 8.230 1 U 54.120 0 e 0 0 0 75 2.200 8.230 1 U 1.990 0 e 0 0 0 76 2.080 8.230 1 U 26.350 0 e 0 0 0 77 4.620 8.230 1 U 36.380 0 e 0 0 0 78 6.720 8.230 1 U 11.450 0 e 0 0 0 79 3.290 8.230 1 U 9.760 0 e 0 0 0 80 5.520 8.220 1 U 207.850 0 e 0 0 0 81 3.760 8.130 1 U 305.330 0 e 0 0 0 82 3.830 8.130 1 U 149.790 0 e 0 0 0 83 7.610 8.130 1 U 26.800 0 e 0 0 0 84 4.150 8.130 1 U 8.410 0 e 0 0 0 85 2.250 8.130 1 U 3.150 0 e 0 0 0 86 4.260 8.130 1 U 19.610 0 e 0 0 0 87 7.330 8.120 1 U 2.580 0 e 0 0 0 88 4.420 7.900 1 U 69.660 0 e 0 0 0 89 1.410 7.900 1 U 76.210 0 e 0 0 0 90 4.670 7.890 1 U 37.020 0 e 0 0 0 91 7.320 7.890 1 U 35.690 0 e 0 0 0 92 4.160 7.890 1 U 21.150 0 e 0 0 0 93 4.980 7.810 1 U 267.860 0 e 0 0 0 94 1.860 7.810 1 U 136.180 0 e 0 0 0 95 2.870 7.810 1 U 167.490 0 e 0 0 0 96 0.570 7.810 1 U 1.960 0 e 0 0 0 97 1.660 7.810 1 U 31.580 0 e 0 0 0 98 3.380 7.810 1 U 51.480 0 e 0 0 0 99 7.080 7.810 1 U 42.990 0 e 0 0 0 100 1.420 7.810 1 U 21.180 0 e 0 0 0 101 4.560 7.810 1 U 70.840 0 e 0 0 0 102 3.650 7.780 1 U 17.130 0 e 0 0 0 103 -0.530 7.780 1 U 18.780 0 e 0 0 0 104 3.950 7.780 1 U 54.890 0 e 0 0 0 105 1.550 7.780 1 U 21.950 0 e 0 0 0 106 0.730 7.780 1 U 216.090 0 e 0 0 0 107 4.340 7.780 1 U 171.610 0 e 0 0 0 108 0.640 7.780 1 U 6.340 0 e 0 0 0 109 3.380 7.650 1 U 65.720 0 e 0 0 0 110 6.990 7.650 1 U 5.940 0 e 0 0 0 111 4.560 7.650 1 U 106.270 0 e 0 0 0 112 2.870 7.650 1 U 24.060 0 e 0 0 0 113 6.860 7.640 1 U 164.830 0 e 0 0 0 114 3.320 7.610 1 U 7.990 0 e 0 0 0 115 3.760 7.610 1 U 10.660 0 e 0 0 0 116 7.320 7.610 1 U 180.160 0 e 0 0 0 117 4.150 7.610 1 U 25.660 0 e 0 0 0 118 3.810 7.610 1 U 11.410 0 e 0 0 0 119 4.630 7.610 1 U 29.980 0 e 0 0 0 120 2.820 7.610 1 U 42.810 0 e 0 0 0 121 6.720 7.610 1 U 37.420 0 e 0 0 0 122 0.210 7.360 1 U 59.350 0 e 0 0 0 123 2.510 7.360 1 U 63.950 0 e 0 0 0 124 0.630 7.350 1 U 165.630 0 e 0 0 0 125 2.300 7.350 1 U 201.840 0 e 0 0 0 126 2.810 7.330 1 U 39.130 0 e 0 0 0 127 2.200 7.320 1 U 154.730 0 e 0 0 0 128 6.720 7.320 1 U 62.580 0 e 0 0 0 129 5.520 7.320 1 U 43.470 0 e 0 0 0 130 6.990 7.270 1 U 244.120 0 e 0 0 0 131 6.860 7.260 1 U 14.090 0 e 0 0 0 132 3.380 7.090 1 U 33.310 0 e 0 0 0 133 2.870 7.080 1 U 101.840 0 e 0 0 0 134 4.560 7.080 1 U 16.460 0 e 0 0 0 135 1.430 7.080 1 U 33.590 0 e 0 0 0 136 2.490 7.070 1 U 13.070 0 e 0 0 0 137 3.010 7.070 1 U 109.180 0 e 0 0 0 138 1.200 7.070 1 U 33.470 0 e 0 0 0 139 3.060 7.070 1 U 79.850 0 e 0 0 0 140 6.770 7.040 1 U 534.280 0 e 0 0 0 141 1.440 7.040 1 U 41.010 0 e 0 0 0 142 4.540 7.040 1 U 103.970 0 e 0 0 0 143 2.480 7.040 1 U 176.030 0 e 0 0 0 144 3.950 7.040 1 U 14.650 0 e 0 0 0 145 3.050 7.030 1 U 174.240 0 e 0 0 0 146 1.550 6.720 1 U 31.480 0 e 0 0 0 147 4.300 6.720 1 U 76.540 0 e 0 0 0 148 0.200 6.720 1 U 13.650 0 e 0 0 0 149 2.800 6.720 1 U 190.780 0 e 0 0 0 150 0.720 6.720 1 U 58.140 0 e 0 0 0 151 2.090 6.720 1 U 132.610 0 e 0 0 0 152 2.200 6.720 1 U 276.710 0 e 0 0 0 153 5.520 6.720 1 U 119.460 0 e 0 0 0 154 4.300 6.590 1 U 11.790 0 e 0 0 0 155 5.530 6.590 1 U 9.770 0 e 0 0 0 156 2.200 6.590 1 U 33.290 0 e 0 0 0 157 2.810 6.590 1 U 62.630 0 e 0 0 0 158 2.090 6.590 1 U 37.770 0 e 0 0 0 159 4.300 5.530 1 U 91.770 0 e 0 0 0 160 2.800 5.520 1 U 87.830 0 e 0 0 0 161 2.200 5.520 1 U 40.290 0 e 0 0 0 162 4.230 4.420 1 U 60.930 0 e 0 0 0 163 4.420 4.420 1 U 737.060 0 e 0 0 0 164 1.090 4.420 1 U 12.880 0 e 0 0 0 165 3.560 4.350 1 U 7.220 0 e 0 0 0 166 3.650 4.350 1 U 16.910 0 e 0 0 0 167 3.770 4.300 1 U 130.360 0 e 0 0 0 168 2.510 4.270 1 U 92.770 0 e 0 0 0 169 2.300 4.270 1 U 58.940 0 e 0 0 0 170 1.090 4.240 1 U 50.580 0 e 0 0 0 171 3.770 4.160 1 U 159.990 0 e 0 0 0 172 3.810 4.160 1 U 309.440 0 e 0 0 0 173 1.550 3.950 1 U 97.930 0 e 0 0 0 174 -0.520 3.950 1 U 74.920 0 e 0 0 0 175 0.730 3.950 1 U 66.900 0 e 0 0 0 176 2.090 3.840 1 U 72.930 0 e 0 0 0 177 2.150 3.830 1 U 68.810 0 e 0 0 0 178 2.250 3.830 1 U 243.050 0 e 0 0 0 179 2.870 3.370 1 U 622.100 0 e 0 0 0 180 2.820 3.320 1 U 607.500 0 e 0 0 0 181 1.650 3.300 1 U 19.220 0 e 0 0 0 182 2.080 3.300 1 U 412.850 0 e 0 0 0 183 1.190 3.300 1 U 16.740 0 e 0 0 0 184 1.190 3.270 1 U 19.180 0 e 0 0 0 185 1.660 3.270 1 U 20.860 0 e 0 0 0 186 2.080 3.270 1 U 511.310 0 e 0 0 0 187 2.490 3.070 1 U 647.480 0 e 0 0 0 188 1.440 3.060 1 U 77.680 0 e 0 0 0 189 1.860 3.060 1 U 72.010 0 e 0 0 0 190 1.660 3.060 1 U 55.860 0 e 0 0 0 191 2.080 3.060 1 U 15.300 0 e 0 0 0 192 1.190 3.050 1 U 79.860 0 e 0 0 0 193 2.480 3.040 1 U 711.740 0 e 0 0 0 194 2.080 3.020 1 U 24.740 0 e 0 0 0 195 1.860 3.010 1 U 61.730 0 e 0 0 0 196 1.660 3.010 1 U 54.760 0 e 0 0 0 197 1.440 3.010 1 U 42.240 0 e 0 0 0 198 1.200 3.010 1 U 74.620 0 e 0 0 0 199 2.200 2.820 1 U 412.370 0 e 0 0 0 200 0.720 2.820 1 U 37.480 0 e 0 0 0 201 0.210 2.810 1 U 10.520 0 e 0 0 0 202 1.550 2.810 1 U 73.610 0 e 0 0 0 203 0.620 2.810 1 U 5.410 0 e 0 0 0 204 1.550 2.790 1 U 103.490 0 e 0 0 0 205 0.630 2.790 1 U 13.140 0 e 0 0 0 206 2.200 2.790 1 U 512.810 0 e 0 0 0 207 0.190 2.790 1 U 13.660 0 e 0 0 0 208 0.720 2.790 1 U 46.230 0 e 0 0 0 209 1.200 2.490 1 U 70.980 0 e 0 0 0 210 1.440 2.490 1 U 103.160 0 e 0 0 0 211 -0.520 2.200 1 U 25.830 0 e 0 0 0 212 0.580 2.200 1 U 670.670 0 e 0 0 0 213 1.550 2.200 1 U 152.880 0 e 0 0 0 214 0.730 2.200 1 U 74.410 0 e 0 0 0 215 0.210 2.200 1 U 106.760 0 e 0 0 0 216 1.660 2.100 1 U 52.980 0 e 0 0 0 217 1.200 2.100 1 U 35.250 0 e 0 0 0 218 1.660 2.070 1 U 55.880 0 e 0 0 0 219 1.190 2.070 1 U 43.480 0 e 0 0 0 220 1.440 1.860 1 U 110.680 0 e 0 0 0 221 1.660 1.860 1 U 921.750 0 e 0 0 0 222 1.440 1.660 1 U 186.580 0 e 0 0 0 223 1.200 1.650 1 U 119.890 0 e 0 0 0 224 -0.520 1.550 1 U 71.050 0 e 0 0 0 225 0.210 1.550 1 U 19.160 0 e 0 0 0 226 0.720 1.550 1 U 618.300 0 e 0 0 0 227 1.200 1.440 1 U 640.010 0 e 0 0 0 228 -0.520 0.740 1 U 592.090 0 e 0 0 0 229 0.210 0.730 1 U 178.330 0 e 0 0 0 230 -0.520 0.640 1 U 162.610 0 e 0 0 0 231 0.210 0.640 1 U 733.350 0 e 0 0 0 232 -0.520 -0.520 1 U 1229.380 0 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 . . 5 ppm . . . 5 . . 30843 1 stop_ save_