######################### # 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 30851 _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 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 1 8.592 8.881 1 U 1.625 0 e 0 0 0 2 4.811 8.880 1 U 226.953 0 e 0 0 0 3 1.633 8.879 1 U 22.053 0 e 0 0 0 4 1.599 8.879 1 U 31.292 0 e 0 0 0 5 1.412 8.879 1 U 14.775 0 e 0 0 0 6 4.595 8.872 1 U 42.518 0 e 0 0 0 7 0.718 8.862 1 U 19.393 0 e 0 0 0 8 8.142 8.861 1 U 0.560 0 e 0 0 0 9 0.910 8.860 1 U 13.629 0 e 0 0 0 10 2.204 8.859 1 U 12.510 0 e 0 0 0 11 1.794 8.859 1 U 48.915 0 e 0 0 0 12 1.726 8.859 1 U 35.479 0 e 0 0 0 13 4.889 8.858 1 U 191.727 0 e 0 0 0 14 4.632 8.858 1 U 33.038 0 e 0 0 0 15 4.190 8.857 1 U 0.953 0 e 0 0 0 16 8.534 8.856 1 U 1.716 0 e 0 0 0 17 4.830 8.771 1 U 0.000 0 e 0 0 0 18 4.850 8.723 1 U 1.698 0 e 0 0 0 19 4.673 8.722 1 U 54.371 0 e 0 0 0 20 4.360 8.720 1 U 45.418 0 e 0 0 0 21 3.615 8.720 1 U 12.837 0 e 0 0 0 22 3.184 8.720 1 U 13.294 0 e 0 0 0 23 2.871 8.720 1 U 0.000 0 e 0 0 0 24 2.734 8.720 1 U 14.339 0 e 0 0 0 25 1.793 8.720 1 U 10.364 0 e 0 0 0 26 2.146 8.719 1 U 0.000 0 e 0 0 0 27 1.852 8.719 1 U 6.696 0 e 0 0 0 28 4.889 8.691 1 U 28.242 0 e 0 0 0 29 4.184 8.690 1 U 0.338 0 e 0 0 0 30 3.165 8.690 1 U 16.182 0 e 0 0 0 31 0.655 8.690 1 U 0.000 0 e 0 0 0 32 8.142 8.689 1 U 52.907 0 e 0 0 0 33 4.575 8.689 1 U 147.636 0 e 0 0 0 34 3.792 8.689 1 U 61.960 0 e 0 0 0 35 2.734 8.689 1 U 11.424 0 e 0 0 0 36 4.360 8.686 1 U 1.570 0 e 0 0 0 37 3.615 8.686 1 U 1.385 0 e 0 0 0 38 4.654 8.675 1 U 11.122 0 e 0 0 0 39 4.856 8.631 1 U 33.680 0 e 0 0 0 40 3.165 8.631 1 U 2.509 0 e 0 0 0 41 5.104 8.630 1 U 34.544 0 e 0 0 0 42 4.438 8.630 1 U 204.105 0 e 0 0 0 43 2.871 8.630 1 U 10.991 0 e 0 0 0 44 2.636 8.630 1 U 43.981 0 e 0 0 0 45 0.908 8.629 1 U 6.871 0 e 0 0 0 46 7.005 8.628 1 U 8.223 0 e 0 0 0 47 7.674 8.626 1 U 28.373 0 e 0 0 0 48 4.282 8.625 1 U 33.934 0 e 0 0 0 49 4.184 8.625 1 U 58.566 0 e 0 0 0 50 3.929 8.625 1 U 23.306 0 e 0 0 0 51 2.154 8.625 1 U 3.795 0 e 0 0 0 52 1.956 8.625 1 U 9.662 0 e 0 0 0 53 1.793 8.625 1 U 42.797 0 e 0 0 0 54 2.088 8.624 1 U 0.000 0 e 0 0 0 55 7.861 8.594 1 U 15.134 0 e 0 0 0 56 1.440 8.594 1 U 11.381 0 e 0 0 0 57 4.091 8.593 1 U 32.946 0 e 0 0 0 58 4.034 8.593 1 U 74.510 0 e 0 0 0 59 1.734 8.593 1 U 13.991 0 e 0 0 0 60 5.281 8.591 1 U 71.576 0 e 0 0 0 61 4.811 8.591 1 U 230.022 0 e 0 0 0 62 1.793 8.591 1 U 28.720 0 e 0 0 0 63 1.099 8.591 1 U 9.064 0 e 0 0 0 64 2.272 8.589 1 U 0.708 0 e 0 0 0 65 4.673 8.582 1 U 0.567 0 e 0 0 0 66 1.715 8.534 1 U 31.975 0 e 0 0 0 67 4.634 8.533 1 U 258.236 0 e 0 0 0 68 2.205 8.533 1 U 5.836 0 e 0 0 0 69 1.821 8.533 1 U 50.999 0 e 0 0 0 70 1.669 8.533 1 U 88.336 0 e 0 0 0 71 1.421 8.533 1 U 34.765 0 e 0 0 0 72 2.173 8.500 1 U 0.593 0 e 0 0 0 73 7.917 8.499 1 U 20.965 0 e 0 0 0 74 4.282 8.499 1 U 95.683 0 e 0 0 0 75 3.910 8.499 1 U 28.991 0 e 0 0 0 76 3.857 8.499 1 U 43.377 0 e 0 0 0 77 4.595 8.472 1 U 254.448 0 e 0 0 0 78 0.892 8.472 1 U 47.086 0 e 0 0 0 79 1.793 8.471 1 U 119.222 0 e 0 0 0 80 1.643 8.471 1 U 7.479 0 e 0 0 0 81 1.597 8.471 1 U 12.736 0 e 0 0 0 82 1.421 8.471 1 U 7.655 0 e 0 0 0 83 0.655 8.470 1 U 4.432 0 e 0 0 0 84 8.149 8.468 1 U 1.095 0 e 0 0 0 85 4.184 8.468 1 U 23.783 0 e 0 0 0 86 4.438 8.415 1 U 12.404 0 e 0 0 0 87 3.165 8.368 1 U 136.800 0 e 0 0 0 88 2.734 8.368 1 U 31.595 0 e 0 0 0 89 1.793 8.368 1 U 21.684 0 e 0 0 0 90 0.720 8.368 1 U 17.102 0 e 0 0 0 91 4.889 8.366 1 U 143.292 0 e 0 0 0 92 3.797 8.349 1 U 1.033 0 e 0 0 0 93 4.340 8.331 1 U 2.194 0 e 0 0 0 94 4.223 8.264 1 U 2.123 0 e 0 0 0 95 4.438 8.160 1 U 8.763 0 e 0 0 0 96 5.104 8.152 1 U 1.194 0 e 0 0 0 97 4.889 8.149 1 U 27.304 0 e 0 0 0 98 0.911 8.147 1 U 33.364 0 e 0 0 0 99 0.655 8.147 1 U 34.593 0 e 0 0 0 100 4.184 8.146 1 U 247.778 0 e 0 0 0 101 1.793 8.145 1 U 2.219 0 e 0 0 0 102 7.917 8.118 1 U 30.365 0 e 0 0 0 103 4.399 8.118 1 U 120.365 0 e 0 0 0 104 1.891 8.118 1 U 0.689 0 e 0 0 0 105 4.575 8.117 1 U 19.905 0 e 0 0 0 106 3.772 8.117 1 U 41.684 0 e 0 0 0 107 2.067 8.117 1 U 10.094 0 e 0 0 0 108 4.086 8.100 1 U 1.813 0 e 0 0 0 109 2.518 8.065 1 U 7.891 0 e 0 0 0 110 1.675 8.065 1 U 6.607 0 e 0 0 0 111 7.862 8.064 1 U 34.981 0 e 0 0 0 112 4.654 8.064 1 U 134.266 0 e 0 0 0 113 4.462 8.064 1 U 16.982 0 e 0 0 0 114 1.832 8.064 1 U 10.863 0 e 0 0 0 115 1.421 8.064 1 U 1.714 0 e 0 0 0 116 4.811 8.063 1 U 14.485 0 e 0 0 0 117 3.067 8.063 1 U 10.324 0 e 0 0 0 118 7.965 8.061 1 U 6.467 0 e 0 0 0 119 4.399 7.924 1 U 22.900 0 e 0 0 0 120 3.929 7.921 1 U 22.712 0 e 0 0 0 121 2.067 7.921 1 U 9.723 0 e 0 0 0 122 4.282 7.920 1 U 1.926 0 e 0 0 0 123 3.850 7.920 1 U 18.193 0 e 0 0 0 124 2.205 7.920 1 U 23.340 0 e 0 0 0 125 1.891 7.920 1 U 39.087 0 e 0 0 0 126 4.811 7.861 1 U 19.734 0 e 0 0 0 127 4.023 7.861 1 U 129.034 0 e 0 0 0 128 1.099 7.861 1 U 22.834 0 e 0 0 0 129 1.695 7.681 1 U 4.719 0 e 0 0 0 130 1.805 7.680 1 U 1.453 0 e 0 0 0 131 4.556 7.679 1 U 21.743 0 e 0 0 0 132 3.929 7.679 1 U 34.187 0 e 0 0 0 133 3.619 7.679 1 U 0.542 0 e 0 0 0 134 1.966 7.679 1 U 1.411 0 e 0 0 0 135 1.890 7.678 1 U 0.695 0 e 0 0 0 136 1.519 7.678 1 U 26.705 0 e 0 0 0 137 1.264 7.678 1 U 11.205 0 e 0 0 0 138 4.695 7.428 1 U 572.187 0 e 0 0 0 139 6.750 7.419 1 U 208.780 0 e 0 0 0 140 6.645 7.307 1 U 115.379 0 e 0 0 0 141 4.693 7.306 1 U 164.836 0 e 0 0 0 142 6.922 7.057 1 U 168.422 0 e 0 0 0 143 6.651 7.020 1 U 232.294 0 e 0 0 0 144 2.636 7.015 1 U 79.038 0 e 0 0 0 145 2.871 7.014 1 U 49.809 0 e 0 0 0 146 3.067 6.972 1 U 23.794 0 e 0 0 0 147 4.693 6.752 1 U 225.116 0 e 0 0 0 148 1.793 6.656 1 U 5.145 0 e 0 0 0 149 3.752 6.654 1 U 8.488 0 e 0 0 0 150 0.657 6.651 1 U 15.761 0 e 0 0 0 151 4.693 6.647 1 U 160.123 0 e 0 0 0 152 4.811 5.280 1 U 55.288 0 e 0 0 0 153 1.099 5.271 1 U 105.202 0 e 0 0 0 154 4.438 5.103 1 U 21.313 0 e 0 0 0 155 0.911 5.096 1 U 52.945 0 e 0 0 0 156 0.911 4.458 1 U 1.298 0 e 0 0 0 157 1.891 4.417 1 U 9.067 0 e 0 0 0 158 2.067 4.412 1 U 1.762 0 e 0 0 0 159 1.871 4.359 1 U 3.114 0 e 0 0 0 160 2.146 4.358 1 U 17.770 0 e 0 0 0 161 1.832 4.292 1 U 14.777 0 e 0 0 0 162 4.184 4.290 1 U 304.600 0 e 0 0 0 163 2.165 4.286 1 U 21.005 0 e 0 0 0 164 1.793 4.206 1 U 20.168 0 e 0 0 0 165 0.720 4.201 1 U 0.966 0 e 0 0 0 166 0.892 4.200 1 U 20.710 0 e 0 0 0 167 0.657 4.199 1 U 19.021 0 e 0 0 0 168 1.107 4.044 1 U 2.406 0 e 0 0 0 169 1.969 3.934 1 U 28.514 0 e 0 0 0 170 1.793 3.934 1 U 35.472 0 e 0 0 0 171 2.087 3.924 1 U 2.491 0 e 0 0 0 172 0.657 3.804 1 U 21.005 0 e 0 0 0 173 0.657 3.769 1 U 13.088 0 e 0 0 0 174 1.871 3.646 1 U 10.062 0 e 0 0 0 175 2.174 3.632 1 U 1.972 0 e 0 0 0 176 1.832 3.625 1 U 15.101 0 e 0 0 0 177 3.165 3.623 1 U 274.022 0 e 0 0 0 178 1.950 3.621 1 U 36.247 0 e 0 0 0 179 3.517 3.620 1 U 488.425 0 e 0 0 0 180 1.793 3.619 1 U 66.841 0 e 0 0 0 181 1.871 3.606 1 U 12.517 0 e 0 0 0 182 3.106 3.588 1 U 33.805 0 e 0 0 0 183 1.969 3.540 1 U 10.749 0 e 0 0 0 184 3.439 3.538 1 U 184.470 0 e 0 0 0 185 2.176 3.533 1 U 1.470 0 e 0 0 0 186 1.931 3.533 1 U 4.560 0 e 0 0 0 187 1.688 3.533 1 U 11.226 0 e 0 0 0 188 1.871 3.524 1 U 25.118 0 e 0 0 0 189 1.956 3.509 1 U 7.148 0 e 0 0 0 190 3.263 3.426 1 U 9.195 0 e 0 0 0 191 2.734 3.191 1 U 568.351 0 e 0 0 0 192 1.779 3.182 1 U 82.876 0 e 0 0 0 193 2.140 3.179 1 U 2.931 0 e 0 0 0 194 1.866 3.176 1 U 2.337 0 e 0 0 0 195 2.734 3.170 1 U 567.016 0 e 0 0 0 196 1.186 3.154 1 U 2.353 0 e 0 0 0 197 2.518 3.091 1 U 211.034 0 e 0 0 0 198 1.421 3.084 1 U 24.033 0 e 0 0 0 199 1.597 3.066 1 U 16.266 0 e 0 0 0 200 1.636 3.064 1 U 14.525 0 e 0 0 0 201 2.734 3.060 1 U 1.683 0 e 0 0 0 202 2.518 3.058 1 U 328.390 0 e 0 0 0 203 1.401 3.054 1 U 10.420 0 e 0 0 0 204 2.616 3.040 1 U 17.487 0 e 0 0 0 205 1.538 2.893 1 U 21.417 0 e 0 0 0 206 1.597 2.891 1 U 6.865 0 e 0 0 0 207 2.636 2.890 1 U 162.007 0 e 0 0 0 208 2.636 2.863 1 U 269.628 0 e 0 0 0 209 1.793 2.754 1 U 2.613 0 e 0 0 0 210 1.793 2.724 1 U 4.225 0 e 0 0 0 211 0.724 2.356 1 U 3.689 0 e 0 0 0 212 0.721 2.282 1 U 1.431 0 e 0 0 0 213 1.891 2.223 1 U 96.135 0 e 0 0 0 214 2.067 2.218 1 U 172.581 0 e 0 0 0 215 1.798 2.217 1 U 96.088 0 e 0 0 0 216 1.715 2.214 1 U 78.180 0 e 0 0 0 217 0.911 2.213 1 U 26.556 0 e 0 0 0 218 1.617 2.211 1 U 4.871 0 e 0 0 0 219 1.793 2.160 1 U 114.848 0 e 0 0 0 220 1.969 2.157 1 U 120.966 0 e 0 0 0 221 1.802 2.106 1 U 33.628 0 e 0 0 0 222 1.891 2.066 1 U 334.025 0 e 0 0 0 223 0.728 1.889 1 U 14.182 0 e 0 0 0 224 1.421 1.844 1 U 98.360 0 e 0 0 0 225 1.663 1.830 1 U 419.282 0 e 0 0 0 226 0.722 1.806 1 U 131.205 0 e 0 0 0 227 0.656 1.798 1 U 83.502 0 e 0 0 0 228 0.900 1.792 1 U 78.721 0 e 0 0 0 229 0.912 1.736 1 U 50.216 0 e 0 0 0 230 0.717 1.736 1 U 15.277 0 e 0 0 0 231 1.273 1.709 1 U 78.359 0 e 0 0 0 232 1.519 1.694 1 U 339.663 0 e 0 0 0 233 1.428 1.604 1 U 513.570 0 e 0 0 0 234 1.273 1.594 1 U 56.398 0 e 0 0 0 235 0.657 0.903 1 U 131.429 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 . . 30851 1 stop_ save_