Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 31018
_Spectral_peak_list.ID 3
_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 3
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
_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
#INAME 1 1H
#INAME 2 1Hy
#INAME 3 13C
6002 7.068 7.068 133.603 1 U 6.736e+05 0.00e+00 m 0 410 410 414 0
6003 6.828 6.828 133.344 1 U 6.188e+05 0.00e+00 m 0 164 164 168 0
6004 6.766 6.766 132.826 1 U 7.178e+05 0.00e+00 m 0 312 312 316 0
6005 6.846 6.846 131.532 1 U 2.134e+05 0.00e+00 m 0 45 45 49 0
6006 7.138 7.138 131.532 1 U 2.059e+05 0.00e+00 m 0 46 46 51 0
6007 6.800 6.800 131.273 1 U 2.316e+05 0.00e+00 m 0 666 666 670 0
6008 6.414 6.414 131.014 1 U 8.291e+04 0.00e+00 m 0 667 667 672 0
6009 6.648 6.648 129.460 1 U 1.565e+05 0.00e+00 m 0 675 675 674 0
6010 7.240 7.240 129.978 1 U 2.301e+05 0.00e+00 m 0 54 54 53 0
6011 7.201 7.201 127.388 1 U 7.487e+05 0.00e+00 m 0 880 880 875 0
6013 7.358 7.358 114.700 1 U 4.088e+05 0.00e+00 m 0 887 887 883 0
6014 7.080 7.080 124.799 1 U 2.785e+05 0.00e+00 m 0 888 888 886 0
6015 7.002 7.002 122.468 1 U 1.236e+05 0.00e+00 m 0 885 885 882 0
6016 7.521 7.521 120.900 1 U 2.723e+05 0.00e+00 m 0 881 881 877 0
6017 6.769 6.769 118.584 1 U 9.017e+05 0.00e+00 m 0 411 411 416 0
6018 6.633 6.633 118.325 1 U 7.744e+05 0.00e+00 m 0 313 313 318 0
6019 6.676 6.676 118.584 1 U 9.366e+05 0.00e+00 m 0 165 165 170 0
6028 7.138 6.846 131.532 3 U 1.096e+05 0.00e+00 m 0 46 45 51 0
6029 6.846 7.138 131.532 3 U 1.064e+05 0.00e+00 m 0 45 46 49 0
6030 7.240 7.138 129.978 3 U 4.326e+04 0.00e+00 m 0 54 46 53 0
6032 6.846 0.783 131.532 3 U 3.257e+03 0.00e+00 m 0 45 805 49 0
6034 7.240 1.823 129.978 3 U 2.687e+03 0.00e+00 m 0 54 755 53 0
6036 6.846 4.500 131.532 3 U 2.235e+03 0.00e+00 m 0 45 40 49 0
6039 6.846 0.955 131.532 3 U 1.954e+03 0.00e+00 m 0 45 358 49 0
6040 6.846 1.335 131.532 3 U 1.458e+03 0.00e+00 m 0 45 756 49 0
6041 7.138 0.782 131.532 3 U 2.707e+03 0.00e+00 m 0 46 805 51 0
6042 7.138 1.820 131.532 3 U 1.124e+03 0.00e+00 m 0 46 755 51 0
6043 7.240 1.322 129.978 3 U 1.373e+03 0.00e+00 m 0 54 756 53 0
6044 7.240 0.776 129.978 3 U 1.058e+03 0.00e+00 m 0 54 805 53 0
6046 6.828 4.653 133.344 3 U 2.711e+03 0.00e+00 m 0 164 195 168 0
6047 6.676 4.649 118.584 3 U 6.901e+03 0.00e+00 m 0 165 195 170 0
6048 6.676 6.828 118.584 3 U 1.393e+05 0.00e+00 m 0 165 164 170 0
6049 6.828 6.676 133.344 3 U 6.672e+04 0.00e+00 m 0 164 165 168 0
6051 6.828 2.624 133.344 3 U 8.998e+03 0.00e+00 m 0 164 162 168 0
6053 6.828 1.774 133.344 3 U 2.618e+03 0.00e+00 m 0 164 279 168 0
6054 6.828 1.576 133.344 3 U 1.917e+03 0.00e+00 m 0 164 272 168 0
6055 6.828 0.780 133.344 3 U 1.403e+03 0.00e+00 m 0 164 634 168 0
6058 6.676 2.740 118.584 3 U 4.709e+03 0.00e+00 m 0 165 161 170 0
6059 6.676 2.635 118.584 3 U 2.437e+03 0.00e+00 m 0 165 162 170 0
6062 6.676 1.570 118.584 3 U 2.204e+03 0.00e+00 m 0 165 272 170 0
6065 6.676 0.791 118.584 3 U 2.578e+03 0.00e+00 m 0 165 634 170 0
6073 6.800 6.414 131.273 3 U 5.572e+04 0.00e+00 m 0 666 667 670 0
6078 6.633 3.000 118.325 3 U 4.408e+03 0.00e+00 m 0 313 309 318 0
6081 6.766 3.316 132.826 4 U 4.669e+03 0.00e+00 m 0 312 550 316 0
6083 6.766 6.633 132.826 3 U 1.032e+05 0.00e+00 m 0 312 313 316 0
6084 6.633 6.766 118.325 3 U 1.411e+05 0.00e+00 m 0 313 312 318 0
6085 7.068 6.769 133.603 3 U 9.770e+04 0.00e+00 m 0 410 411 414 0
6086 6.769 7.068 118.584 3 U 6.499e+04 0.00e+00 m 0 411 410 416 0
6088 6.769 2.573 118.584 3 U 5.053e+03 0.00e+00 m 0 411 43 416 0
6098 6.766 0.720 132.826 3 U 5.343e+03 0.00e+00 m 0 312 633 316 0
6099 6.766 0.422 132.826 3 U 8.521e+03 0.00e+00 m 0 312 516 316 0
6100 6.633 1.555 118.325 3 U 6.355e+03 0.00e+00 m 0 313 272 318 0
6103 6.633 0.430 118.325 3 U 3.100e+03 0.00e+00 m 0 313 516 318 0
6105 7.068 1.755 133.603 3 U 1.614e+03 0.00e+00 m 0 410 483 414 0
6107 7.068 0.720 133.603 3 U 5.889e+03 0.00e+00 m 0 410 359 414 0
6108 7.068 0.469 133.603 3 U 5.527e+03 0.00e+00 m 0 410 485 414 0
6110 6.769 0.720 118.584 3 U 2.952e+03 0.00e+00 m 0 411 359 416 0
6111 6.769 0.475 118.584 3 U 1.994e+03 0.00e+00 m 0 411 485 416 0
6112 6.800 2.475 131.273 3 U 3.902e+03 0.00e+00 m 0 666 664 670 0
6113 6.800 1.136 131.273 3 U 2.397e+03 0.00e+00 m 0 666 630 670 0
6114 6.800 0.722 131.273 3 U 3.590e+03 0.00e+00 m 0 666 633 670 0
6115 6.800 0.422 131.273 3 U 4.624e+03 0.00e+00 m 0 666 516 670 0
6116 6.414 0.417 131.014 3 U 2.642e+03 0.00e+00 m 0 667 516 672 0
6117 6.648 0.748 129.460 3 U 4.255e+03 0.00e+00 m 0 675 633 674 0
6118 7.201 10.090 127.388 3 U 2.005e+04 0.00e+00 m 0 880 884 875 0
6119 7.358 10.090 114.700 3 U 5.841e+03 0.00e+00 m 0 887 884 883 0
6120 7.002 7.521 122.468 3 U 6.773e+03 0.00e+00 m 0 885 881 882 0
6121 6.648 0.432 129.460 3 U 1.682e+03 0.00e+00 m 0 675 516 674 0
6123 6.414 0.725 131.014 3 U 2.204e+03 0.00e+00 m 0 667 633 672 0
6124 6.414 1.127 131.014 3 U 1.905e+03 0.00e+00 m 0 667 630 672 0
6127 6.414 6.800 131.014 3 U 5.981e+04 0.00e+00 m 0 667 666 672 0
6128 6.414 6.648 131.014 3 U 1.727e+04 0.00e+00 m 0 667 675 672 0
6129 6.648 6.414 129.460 3 U 3.359e+04 0.00e+00 m 0 675 667 674 0
6131 6.800 8.424 131.273 3 U 1.387e+03 0.00e+00 m 0 666 682 670 0
6132 6.800 8.924 131.273 3 U 1.157e+03 0.00e+00 m 0 666 659 670 0
6134 7.080 7.358 124.799 3 U 4.898e+04 0.00e+00 m 0 888 887 886 0
6135 7.358 7.080 114.700 3 U 6.199e+04 0.00e+00 m 0 887 888 883 0
6136 7.080 7.002 124.799 3 U 3.095e+04 0.00e+00 m 0 888 885 886 0
6137 7.002 7.080 122.468 3 U 2.626e+04 0.00e+00 m 0 885 888 882 0
6138 7.521 4.639 120.900 3 U 2.053e+03 0.00e+00 m 0 881 869 877 0
6140 7.521 3.229 120.900 3 U 3.698e+03 0.00e+00 m 0 881 872 877 0
6141 7.201 3.218 127.388 3 U 6.652e+03 0.00e+00 m 0 880 872 875 0
6147 7.201 0.784 127.388 3 U 1.524e+03 0.00e+00 m 0 880 901 875 0
6149 7.521 1.486 120.900 3 U 1.431e+03 0.00e+00 m 0 881 0 877 0
6150 7.521 0.794 120.900 3 U 3.289e+03 0.00e+00 m 0 881 901 877 0
6152 7.358 0.788 114.700 3 U 1.126e+03 0.00e+00 m 0 887 901 883 0
6153 7.080 0.807 124.799 3 U 1.823e+03 0.00e+00 m 0 888 0 886 0
6154 7.002 0.798 122.468 3 U 1.321e+03 0.00e+00 m 0 885 0 882 0
6155 7.201 8.049 127.388 3 U 2.486e+03 0.00e+00 m 0 880 867 875 0
6170 6.766 5.081 132.826 1 U 1.281e+04 0.00e+00 m 0 312 307 316 0
6171 6.766 5.201 132.826 1 U 1.170e+04 0.00e+00 m 0 312 548 316 0
6172 6.766 2.994 132.826 1 U 1.595e+04 0.00e+00 m 0 312 309 316 0
6173 6.766 2.366 132.826 1 U 1.285e+04 0.00e+00 m 0 312 310 316 0
6175 6.766 2.720 132.826 1 U 4.294e+03 0.00e+00 m 0 312 161 316 0
6176 6.766 2.088 132.826 1 U 2.471e+03 0.00e+00 m 0 312 514 316 0
6177 6.766 0.810 132.826 1 U 6.676e+03 0.00e+00 m 0 312 634 316 0
6178 6.633 0.726 118.325 1 U 6.564e+03 0.00e+00 m 0 313 633 318 0
6179 6.633 0.809 118.325 1 U 3.635e+03 0.00e+00 m 0 313 634 318 0
6180 6.633 2.716 118.325 1 U 1.057e+04 0.00e+00 m 0 313 161 318 0
6181 6.633 3.331 118.325 1 U 4.556e+03 0.00e+00 m 0 313 550 318 0
6182 6.633 5.204 118.325 1 U 1.752e+03 0.00e+00 m 0 313 548 318 0
6183 6.633 2.921 118.325 1 U 6.500e+03 0.00e+00 m 0 313 551 318 0
6185 6.828 2.729 133.344 1 U 1.078e+04 0.00e+00 m 0 164 161 168 0
6186 6.828 0.460 133.344 1 U 2.739e+03 0.00e+00 m 0 164 760 168 0
6187 6.828 4.854 133.344 1 U 6.226e+03 0.00e+00 m 0 164 159 168 0
6188 6.676 3.026 118.584 1 U 3.630e+03 0.00e+00 m 0 165 0 170 0
6190 6.676 1.788 118.584 1 U 4.584e+03 0.00e+00 m 0 165 734 170 0
6191 6.676 1.181 118.584 1 U 3.777e+03 0.00e+00 m 0 165 738 170 0
6193 6.769 1.354 118.584 1 U 4.957e+03 0.00e+00 m 0 411 696 416 0
6194 6.828 7.897 133.344 1 U 3.040e+03 0.00e+00 m 0 164 180 168 0
6195 6.828 8.861 133.344 1 U 2.687e+03 0.00e+00 m 0 164 157 168 0
6196 6.766 9.035 132.826 1 U 6.090e+03 0.00e+00 m 0 312 305 316 0
6197 6.766 8.856 132.826 1 U 3.948e+03 0.00e+00 m 0 312 157 316 0
6198 6.766 8.416 132.826 1 U 2.835e+03 0.00e+00 m 0 312 328 316 0
6199 7.068 8.370 133.603 1 U 4.300e+03 0.00e+00 m 0 410 426 414 0
6200 7.068 1.348 133.603 1 U 2.388e+03 0.00e+00 m 0 410 696 414 0
6201 7.068 2.298 133.603 1 U 3.959e+03 0.00e+00 m 0 410 0 414 0
6202 7.068 2.575 133.603 1 U 2.948e+03 0.00e+00 m 0 410 43 414 0
6203 7.068 3.036 133.603 1 U 2.523e+04 0.00e+00 m 0 410 409 414 0
6204 7.068 4.670 133.603 1 U 5.487e+03 0.00e+00 m 0 410 481 414 0
6205 7.068 5.264 133.603 1 U 8.657e+03 0.00e+00 m 0 410 405 414 0
6207 6.846 2.570 131.532 1 U 3.165e+03 0.00e+00 m 0 45 43 49 0
6208 6.846 2.884 131.532 1 U 2.566e+03 0.00e+00 m 0 45 42 49 0
6209 7.138 1.342 131.532 1 U 1.528e+03 0.00e+00 m 0 46 756 51 0
6210 7.138 2.570 131.532 1 U 1.809e+03 0.00e+00 m 0 46 43 51 0
6211 7.138 2.887 131.532 1 U 1.343e+03 0.00e+00 m 0 46 42 51 0
6212 6.828 3.014 133.344 1 U 1.945e+03 0.00e+00 m 0 164 0 168 0
6213 6.828 2.543 133.344 1 U 2.759e+03 0.00e+00 m 0 164 0 168 0
6214 6.769 4.677 118.584 1 U 5.045e+03 0.00e+00 m 0 411 0 416 0
6215 6.769 3.038 118.584 1 U 2.323e+03 0.00e+00 m 0 411 409 416 0
6216 7.068 8.468 133.603 1 U 2.683e+03 0.00e+00 m 0 410 403 414 0
6227 6.648 1.122 129.460 1 U 1.761e+03 0.00e+00 m 0 675 630 674 0
6228 6.800 3.062 131.273 1 U 3.309e+03 0.00e+00 m 0 666 663 670 0
6229 6.800 4.871 131.273 1 U 2.113e+03 0.00e+00 m 0 666 661 670 0
6230 7.201 3.303 127.388 1 U 5.576e+03 0.00e+00 m 0 880 871 875 0
6231 7.521 3.313 120.900 1 U 4.272e+03 0.00e+00 m 0 881 871 877 0
6232 7.201 2.154 127.388 1 U 2.924e+03 0.00e+00 m 0 880 0 875 0
6233 7.358 1.990 114.700 1 U 1.763e+03 0.00e+00 m 0 887 0 883 0
6234 7.358 4.663 114.700 1 U 1.606e+03 0.00e+00 m 0 887 0 883 0
6235 7.521 1.823 120.900 1 U 1.937e+03 0.00e+00 m 0 881 0 877 0
6236 7.201 1.749 127.388 1 U 1.323e+03 0.00e+00 m 0 880 0 875 0
6237 7.521 4.219 120.900 1 U 1.526e+03 0.00e+00 m 0 881 893 877 0
6238 7.068 2.896 133.603 1 U 1.871e+03 0.00e+00 m 0 410 42 414 0
6239 6.676 0.954 118.584 1 U 2.181e+03 0.00e+00 m 0 165 739 170 0
6240 6.766 1.120 132.826 1 U 1.948e+03 0.00e+00 m 0 312 630 316 0
6241 6.633 1.129 118.325 1 U 1.737e+03 0.00e+00 m 0 313 630 318 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 3 'not observed' 16.67 ppm . . . 4.78 . . 31018 3
2 . . H 1 H . 'not observed' 11.907 ppm . . . 4.78 . . 31018 3
3 . . C 13 C-aromatic 1 'not observed' 33.146 ppm . . . 127 . . 31018 3
stop_
save_