######################### # 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 34441 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _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 ; Assignment w1 w2 Volume A1H1'-H2 5.791 7.843 1.27e+006 ga A1H1'-H8 5.793 7.806 4.00e+006 ma A1H1'-G2H8 5.793 8.025 1.12e+006 ga A1H2-G2H1 7.848 11.623 2.00e+005 ma A1H2'-H1' 2.466 5.796 3.88e+007 ga A1H2'-H2'' 2.465 2.583 2.20e+007 ga A1H2'-H5'/5" 2.468 3.769 1.91e+005 ga A1H2'-H8 2.464 7.805 7.93e+006 ma A1H2'-G2H5" 2.467 4.289 1.00e+005 ma A1H2'-G26H1 2.462 11.346 9.32e+004 ga A1H2''-H1' 2.590 5.792 5.27e+006 ga A1H2''-H5'/5" 2.590 3.768 2.09e+005 ga A1H2''-H8 2.591 7.806 2.04e+007 ga A1H2''-G26H1 2.594 11.343 3.27e+005 ma A1H3'-H8 4.873 7.805 2.26e+006 ga A1H3'-G2H8 4.877 8.025 2.65e+006 ga A1H4'-H1' 4.255 5.796 1.48e+006 ga A1H5'/5"-H1' 3.770 5.792 1.66e+006 ma A1H5'/5"-H2 3.768 7.848 4.31e+005 ga A1H5'/5"-H4' 3.769 4.254 1.88e+006 ga A1H5'/5"-H8 3.766 7.807 9.06e+005 ga A1H5'/5"-G2H8 3.770 8.023 2.26e+005 ga A1H8-G26H1 7.807 11.344 2.37e+005 ga G2H1'-H8 6.112 8.026 1.38e+006 ga G2H1'-G3H8 6.117 7.604 4.84e+006 ga G2H2"-H1' 3.051 6.110 6.93e+006 ga G2H2"-H3' 3.061 5.093 5.18e+005 ma G2H2"-H8 3.053 8.024 6.62e+006 ga G2H2"-G3H8 3.055 7.602 2.98e+006 ga G2H2'-H1' 2.818 6.107 6.26e+006 ma G2H2'-H2" 2.820 3.056 1.21e+007 ga G2H2'-H3' 2.822 5.097 1.53e+006 ga G2H2'-H8 2.819 8.025 1.03e+007 ga G2H2'-G3H8 2.823 7.599 3.31e+006 ga G2H3'-H1' 5.102 6.114 9.54e+005 ga G2H3'-H8 5.094 8.026 2.56e+006 ga G2H3'-G3H8 5.099 7.606 1.73e+006 ga G2H4'-H1' 4.537 6.113 1.00e+000 ma G2H5"-A1H2 4.286 7.845 2.00e+006 ma G2H5"-H1' 4.281 6.115 2.00e+006 ma G2H5"-G3H8 4.285 7.603 1.13e+005 ma G2H5'-A1H2 4.385 7.846 3.56e+006 ga G2H5'-H1' 4.376 6.114 2.00e+000 ma G2H5'-G3H8 4.371 7.602 2.89e+005 ma G2H8-G26H1 8.021 11.341 5.80e+005 ma G2H8-G27H1 8.024 11.308 5.00e+005 ma G3H1-G2H1 11.248 11.621 5.45e+005 ga G3H1'-G2H1 6.176 11.616 2.08e+005 ga G3H1'-H8 6.171 7.602 1.62e+006 ga G3H1'-G4H8 6.171 7.727 2.60e+006 ga G3H2"-H1' 2.938 6.170 8.17e+006 ga G3H2"-H8 2.939 7.602 2.95e+006 ga G3H2"-G4H8 2.938 7.728 5.64e+006 ga G3H2'-G2H5" 2.541 4.290 2.00e+005 ma G3H2'-G2H8 2.536 8.031 1.00e+006 ma G3H2'-H1' 2.545 6.169 6.80e+006 ga G3H2'-H2" 2.543 2.939 1.37e+007 ga G3H2'-H8 2.542 7.601 7.66e+006 ga G3H2'-G4H8 2.537 7.727 1.91e+006 ma G3H2'-G28H1 2.543 10.963 1.01e+005 ga G3H3'-H1' 4.985 6.169 2.00e+006 ga G3H3'-H8 4.995 7.602 3.37e+006 ga G3H3'-G4H8 4.986 7.727 3.22e+005 ma G3H4'-A1H2 4.596 7.846 1.21e+005 ma G3H4'-H1' 4.573 6.165 3.00e+006 ma G3H4'-H8 4.592 7.603 1.50e+006 ga G3H5"-H1' 4.363 6.167 2.53e+006 ga G3H5'-H1' 4.437 6.169 2.00e+006 ma G3H8-G2H8 7.601 8.024 1.52e+006 ga G3H8-G27H1 7.601 11.309 6.00e+005 ma G3H8-G28H1 7.603 10.984 8.44e+005 ma G4H1'-H8 6.372 7.726 2.05e+006 ga G4H2"-H1' 2.711 6.374 1.18e+007 ga G4H2"-H3' 2.715 5.156 8.45e+005 ga G4H2"-H8 2.712 7.727 9.63e+006 ga G4H2'-H1' 2.597 6.375 6.48e+006 ga G4H2'-H2" 2.591 2.705 1.00e+007 ga G4H2'-H3' 2.587 5.155 1.78e+006 ga G4H2'-H8 2.587 7.727 1.52e+006 ma G4H3'-G3H1' 5.151 6.167 3.82e+005 ma G4H3'-H1' 5.157 6.375 2.65e+006 ga G4H3'-H8 5.157 7.728 1.96e+006 ga G4H4'-H3' 4.364 5.156 1.18e+007 ga G4H8-G3H1 7.722 11.249 1.55e+006 ga G4H8-G3H8 7.733 7.599 3.07e+006 ga G4H8-G28H1 7.726 10.984 5.00e+005 ma C5H1'-G3H1 6.536 11.252 2.47e+006 ma C5H1'-H6 6.546 8.082 3.15e+006 ga C5H2"-H1' 2.800 6.549 8.73e+006 ga C5H2"-H3' 2.800 5.155 2.09e+006 ga C5H2"-H5 2.795 6.246 3.08e+006 ga C5H2"-H6 2.800 8.086 8.26e+006 ga C5H2"-G6H5'' 2.796 4.299 1.28e+005 ma C5H2'-H1' 2.462 6.547 6.19e+006 ga C5H2'-H2" 2.463 2.801 2.48e+007 ga C5H2'-H3' 2.460 5.154 2.87e+006 ga C5H2'-H5 2.472 6.247 4.33e+006 ga C5H2'-H6 2.470 8.085 2.88e+007 ga C5H3'-H1' 5.150 6.547 5.93e+005 ga C5H3'-H5 5.150 6.242 1.34e+006 ga C5H3'-H6 5.151 8.087 4.51e+006 ga C5H4'-H1' 4.436 6.544 5.00e+005 ma C5H4'-H6 4.445 8.086 4.61e+006 ga C5H5-H1' 6.245 6.540 2.51e+005 ga C5H5-H6 6.250 8.087 9.87e+006 ga C5H5'/5"-H1' 4.366 6.543 1.09e+006 ga C5H5'/5"-H6 4.369 8.088 1.86e+006 ma G6H1'-H8 6.271 8.144 1.42e+006 ga G6H1'-G7H8 6.267 7.968 1.97e+006 ga G6H2"-H1' 3.031 6.271 8.71e+006 ga G6H2"-H3' 3.030 5.252 2.73e+006 ga G6H2"-H8 3.023 8.145 5.58e+006 ma G6H2"-G7H8 3.026 7.970 6.63e+006 ma G6H2'-G4H1 2.495 11.222 3.92e+005 ma G6H2'-H1' 2.495 6.269 6.73e+006 ga G6H2'-H2" 2.495 3.032 9.46e+006 ga G6H2'-H3' 2.495 5.253 3.73e+006 ga G6H2'-H8 2.501 8.141 6.00e+006 ma G6H2'-G7H8 2.494 7.971 9.87e+006 ga G6H3'-C5H1' 5.242 6.541 2.68e+005 ma G6H3'-H1' 5.252 6.268 1.22e+006 ga G6H3'-H8 5.252 8.143 1.29e+006 ga G6H4'-H1' 4.541 6.271 8.38e+005 ga G6H4'-H8 4.532 8.141 1.68e+006 ga G6H5'-H1' 4.396 6.264 1.00e+006 ma G6H5'-H3' 4.392 5.255 7.91e+006 ga G6H5'-H8 4.392 8.142 3.70e+006 ga G6H5''-H1' 4.310 6.269 6.00e+005 ma G6H5''-H3' 4.308 5.247 6.00e+006 ma G6H5''-H8 4.311 8.143 3.12e+006 ga G6H8-G2H1 8.143 11.621 2.13e+005 ga G6H8-G3H1 8.136 11.248 5.27e+005 ma G6H8-G7H8 8.145 7.978 1.20e+005 ga G7H1-G6H1 11.295 11.948 4.03e+005 ga G7H1-G11H1 11.294 11.837 7.16e+003 ga G7H1'-H8 6.349 7.969 1.49e+006 ga G7H1'-G9H8 6.346 7.677 4.83e+006 ga G7H2"-G4H1 2.866 11.226 4.58e+005 ma G7H2"-H1' 2.875 6.348 9.28e+006 ga G7H2"-H3' 2.872 5.233 9.72e+005 ga G7H2"-H8 2.870 7.968 5.71e+006 ga G7H2"-G9H5'' 2.856 4.230 1.21e+005 ma G7H2"-G9H8 2.873 7.677 9.82e+006 ga G7H2'-G4H1 2.732 11.227 2.63e+005 ma G7H2'-H1 2.739 11.283 1.66e+005 ma G7H2'-H1' 2.731 6.350 4.30e+006 ma G7H2'-H2" 2.730 2.873 1.95e+007 ga G7H2'-H3' 2.736 5.230 1.69e+006 ma G7H2'-H8 2.730 7.967 1.34e+007 ga G7H2'-T8H6 2.737 7.443 5.00e+005 ma G7H2'-G9H1 2.733 11.315 5.72e+005 ga G7H2'-G9H5'' 2.743 4.231 1.36e+005 ma G7H2'-G9H8 2.730 7.677 1.18e+007 ga G7H3'-H1' 5.236 6.347 2.50e+006 ga G7H3'-H8 5.239 7.970 3.60e+006 ga G7H3'-G9H1' 5.239 6.507 2.15e+005 ga G7H3'-G9H8 5.230 7.675 1.39e+006 ga G7H4'-H1' 4.504 6.347 3.05e+006 ga G7H5'/5"-H1' 4.402 6.348 5.00e+005 ma G7H5'/5"-H3' 4.392 5.226 1.83e+007 ga G7H8-G3H1 7.970 11.249 1.12e+006 ga G7H8-G4H1 7.966 11.230 4.88e+005 ga T8H1'-H6 5.801 7.445 3.04e+006 ga T8H1'-G9H8 5.796 7.671 7.47e+005 ma T8H2"-H1' 2.330 5.798 7.00e+006 ma T8H2"-H6 2.329 7.443 7.86e+006 ga T8H2"-G9H8 2.331 7.677 1.00e+006 ma T8H2'-H1' 2.227 5.799 6.00e+006 ma T8H2'-H2" 2.230 2.329 1.53e+007 ga T8H2'-H6 2.224 7.444 1.02e+007 ga T8H6-G9H1 7.439 11.317 2.08e+005 ma T8H6-G9H8 7.453 7.671 1.00e+005 ga T8H6-G13H1 7.445 11.252 5.48e+005 ma T8H6-A30H8 7.439 7.923 3.26e+005 ga T8H7-G4H1 1.625 11.228 1.95e+005 ga T8H7-G4H1' 1.620 6.376 1.14e+006 ga T8H7-G4H2" 1.622 2.709 1.17e+006 ga T8H7-G4H2' 1.619 2.586 1.02e+006 ga T8H7-G4H8 1.622 7.727 3.33e+005 ga T8H7-H1' 1.623 5.794 1.66e+005 ma T8H7-H2' 1.621 2.220 4.30e+005 ga T8H7-H6 1.622 7.446 3.57e+006 ga T8H7-G31H8 1.625 8.242 1.86e+005 ga G9H1'-G7H1' 6.509 6.343 2.80e+005 ga G9H1'-H8 6.504 7.675 1.57e+006 ga G9H2"-H1' 3.098 6.505 7.59e+006 ga G9H2"-H3' 3.093 5.092 2.00e+006 ma G9H2"-H5'' 3.091 4.230 1.94e+006 ma G9H2"-H8 3.096 7.677 1.45e+006 ga G9H2'-H1' 2.502 6.507 4.72e+006 ga G9H2'-H2" 2.503 3.097 9.60e+006 ga G9H2'-H3' 2.504 5.092 8.97e+005 ga G9H2'-H8 2.502 7.676 2.78e+007 ga G9H3'-H1' 5.091 6.504 1.70e+006 ga G9H3'-H8 5.088 7.679 3.19e+006 ga G9H4'-H1' 4.540 6.499 5.00e+005 ma G9H4'-H8 4.521 7.674 5.51e+006 ga G9H5'-H1' 4.371 6.507 1.83e+006 ga G9H5''-H1' 4.236 6.510 1.06e+006 ma G9H5''-H3' 4.235 5.093 5.00e+006 ma G9H8-G3H1 7.673 11.250 1.80e+006 ga G9H8-G4H1 7.671 11.228 3.30e+005 ga G9H8-G7H8 7.678 7.972 4.82e+005 ga G9H8-T10H6 7.685 8.042 1.99e+005 ga T10H1'-H6 6.597 8.025 3.09e+006 ga T10H2"-H1' 2.707 6.601 9.30e+006 ga T10H2"-H2" 2.591 2.711 2.54e+007 ga T10H2"-H3' 2.717 5.236 1.00e+006 ma T10H2"-H6 2.707 8.028 9.34e+006 ga T10H2'-H1' 2.592 6.600 5.57e+006 ga T10H2'-H3' 2.592 5.239 3.56e+006 ga T10H2'-H6 2.591 8.029 1.61e+007 ga T10H3'-H1' 5.238 6.597 1.13e+006 ga T10H3'-H6 5.238 8.026 2.70e+006 ga T10H4'-H6 4.486 8.028 3.81e+006 ga T10H5'/5"-H1' 4.358 6.595 5.58e+005 ga T10H5'/5"-H6 4.363 8.028 4.39e+006 ga T10H7-G7H3' 2.045 5.231 2.36e+005 ga T10H7-H1' 2.039 6.591 5.50e+005 ga T10H7-H2" 2.041 2.707 3.48e+005 ga T10H7-H2' 2.042 2.590 4.66e+005 ga T10H7-H6 2.042 8.027 9.93e+006 ga G11H1'-H1 6.200 11.838 1.71e+005 ga G11H1'-H8 6.201 8.142 1.24e+006 ga G11H1'-G12H8 6.204 7.985 1.87e+006 ga G11H2"-H1' 3.007 6.201 6.56e+006 ga G11H2"-H3' 3.005 5.165 6.41e+005 ma G11H2"-H8 3.009 8.139 6.12e+006 ma G11H2"-G12H8 3.011 7.985 8.57e+006 ga G11H2'-H1' 2.665 6.202 5.18e+006 ga G11H2'-H2" 2.664 3.007 1.35e+007 ga G11H2'-H3' 2.660 5.170 1.00e+006 ma G11H2'-H8 2.657 8.140 6.37e+006 ga G11H2'-G12H2'/H2" 2.663 2.746 3.17e+006 ma G11H2'-G12H8 2.664 7.986 2.11e+006 ma G11H3'-H1' 5.164 6.201 5.38e+005 ga G11H3'-H8 5.165 8.141 2.16e+006 ga G11H3'-G12H8 5.162 7.985 1.73e+006 ga G11H4'-H1' 4.533 6.201 1.00e+006 ma G11H5'/5"-H1' 4.345 6.201 2.00e+006 ma G11H8-G6H1 8.143 11.949 2.46e+005 ga G11H8-G7H1 8.139 11.296 4.86e+005 ma G11H8-G12H8 8.149 7.995 1.40e+005 ga G12H1-G11H1 11.489 11.836 5.66e+005 ga G12H1'-H1 6.128 11.491 2.81e+005 ga G12H1'-H8 6.129 7.984 1.38e+006 ga G12H1'-G13H8 6.135 7.786 4.40e+006 ga G12H2'/H2"-H1' 2.748 6.131 5.00e+006 ma G12H2'/H2"-H3' 2.751 5.035 8.39e+005 ga G12H2'/H2"-H8 2.745 7.982 1.07e+007 ga G12H2'/H2"-G13H1' 2.756 6.371 5.00e+006 ma G12H2'/H2"-G13H5" 2.754 3.652 5.29e+005 ga G12H2'/H2"-G13H8 2.756 7.786 1.25e+007 ga G12H3'-H1' 5.032 6.131 4.67e+005 ma G12H3'-H8 5.035 7.982 3.11e+006 ga G12H3'-G13H8 5.038 7.786 3.00e+006 ma G12H4'-H1' 4.549 6.128 1.00e+006 ma G12H4'-H8 4.553 7.982 1.24e+006 ga G12H5'/5"-H1' 4.341 6.130 2.00e+006 ma G12H5'/5"-H8 4.339 7.984 2.52e+006 ma G12H8-G7H1 7.976 11.292 1.35e+006 ga G12H8-G9H1 7.970 11.318 5.60e+005 ga G13H1-G12H1 11.250 11.490 4.82e+005 ga G13H1'-G12H1 6.379 11.490 2.00e+005 ma G13H1'-H1 6.372 11.249 4.47e+005 ma G13H1'-H8 6.370 7.781 2.41e+006 ga G13H1'-A14H8 6.362 7.945 8.33e+005 ga G13H2"-H1' 2.600 6.366 4.20e+006 ga G13H2"-H5" 2.625 3.652 5.00e+005 ma G13H2"-H8 2.609 7.788 8.00e+006 ma G13H2'-H1' 2.504 6.369 4.25e+006 ga G13H2'-H2" 2.504 2.604 2.00e+007 ma G13H2'-H8 2.490 7.787 6.79e+006 ma G13H3'-H1' 4.844 6.369 1.37e+006 ga G13H3'-H8 4.838 7.785 2.00e+006 ma G13H4'-H1' 4.352 6.372 5.00e+005 ma G13H5"-G12H1' 3.654 6.133 1.33e+006 ga G13H5"-H1' 3.651 6.370 6.16e+005 ga G13H5"-H5' 3.653 4.176 4.87e+006 ga G13H5"-H8 3.653 7.787 1.04e+006 ga G13H5"-A14H2 3.655 8.087 1.56e+005 ga G13H5"-G31H1' 3.655 6.072 6.43e+006 ga G13H5"-G31H8 3.652 8.244 5.22e+005 ga G13H5'-H1' 4.176 6.370 8.82e+005 ga G13H8-G7H1 7.783 11.282 7.38e+005 ga G13H8-G9H1 7.790 11.325 3.69e+005 ga G13H8-G12H8 7.781 7.989 2.13e+005 ga A14H1'-H8 6.074 7.943 8.46e+006 ga A14H1'-A15H8 6.069 8.135 1.52e+006 ga A14H2'/2"-H1' 2.747 6.071 8.66e+005 ma A14H2'/2"-H8 2.740 7.940 1.33e+007 ga A14H3'-H1' 5.003 6.068 8.01e+005 ga A14H4'-H1' 4.555 6.072 2.85e+006 ma A14H5"-H1' 4.150 6.072 8.00e+005 ma A14H5"-H8 4.149 7.952 2.53e+006 ma A14H5'-H1' 4.357 6.073 1.00e+006 ma A14H5'-H8 4.358 7.951 1.00e+006 ma A15H1'-H8 5.941 8.134 2.14e+006 ga A15H1'-G16H8 5.946 7.784 2.66e+005 ma A15H2"-H1' 2.591 5.943 5.00e+006 ma A15H2"-H3' 2.595 4.996 2.12e+005 ga A15H2"-H8 2.587 8.135 1.03e+007 ga A15H2'-H1' 2.513 5.947 5.07e+006 ma A15H2'-H3' 2.517 4.999 1.43e+005 ga A15H2'-H8 2.512 8.134 1.23e+007 ga A15H3'-H1' 5.005 5.945 1.84e+006 ma A15H3'-H8 4.995 8.136 1.79e+006 ga A15H4'-H1' 4.391 5.942 1.11e+006 ga A15H5"-H1' 4.140 5.944 2.18e+006 ga A15H5"-H4' 4.149 4.390 2.00e+006 ma A15H5"-H8 4.150 8.134 1.70e+006 ga A15H5'-H1' 4.315 5.943 8.00e+005 ma G16H1'-H8 5.388 7.786 1.75e+006 ga G16H1'-A17H8 5.392 8.085 6.68e+005 ga G16H2'/2"-H1' 2.376 5.388 1.05e+007 ga G16H2'/2"-H3' 2.373 4.929 2.00e+006 ma G16H2'/2"-H8 2.379 7.786 6.70e+006 ga G16H4'-H1' 4.237 5.389 9.45e+005 ga G16H5"-H1' 4.039 5.390 1.27e+006 ma G16H5"-H4' 4.041 4.243 2.00e+006 ma G16H5'-H1' 4.124 5.391 1.81e+006 ma G16H5'-H4' 4.130 4.242 2.00e+006 ma G16H5'-H8 4.120 7.787 3.43e+006 ma A17H1'-H8 5.978 8.088 2.91e+006 ga A17H1'-G18H8 5.976 7.751 1.04e+005 ma A17H2'/2"-H1' 2.573 5.980 2.00e+007 ga A17H2'/2"-H8 2.563 8.088 1.78e+007 ga A17H3'-H1' 4.961 5.981 1.25e+006 ma A17H3'-H8 4.957 8.085 3.85e+006 ga A17H4'-H1' 4.331 5.978 1.00e+006 ma A17H4'-H8 4.331 8.088 4.00e+006 ma A17H5'/5"-H1' 4.089 5.982 8.00e+005 ma A17H5'/5"-H4' 4.083 4.325 2.00e+006 ma A17H5'/5"-H8 4.077 8.091 4.83e+006 ga A17H5'/5"-G19H8 4.087 7.752 2.61e+006 ga A17H8-G18H8 8.085 7.743 1.00e+005 ma G18H1'-H8 5.665 7.750 3.89e+006 ga G18H2'/2"-H1' 2.397 5.663 6.00e+006 ma G18H2'/2"-H3' 2.408 4.900 2.00e+006 ma G18H2'/2"-H5'/5" 2.399 4.042 3.00e+006 ma G18H2'/2"-H8 2.402 7.747 2.44e+006 ma G18H3'-H8 4.886 7.745 2.00e+006 ma G18H4'-H1' 4.258 5.667 8.00e+005 ma G18H5'/5"-H1' 4.043 5.665 1.01e+006 ga G19H1'-H8 5.748 7.757 7.15e+006 ga G19H1'-G20H8 5.758 7.810 3.96e+005 ma G19H2'-H1' 2.391 5.750 6.72e+006 ma G19H2'-H8 2.386 7.757 3.18e+006 ma G19H2''-H1' 2.449 5.749 5.15e+006 ma G19H2''-H8 2.454 7.760 7.00e+006 ma G19H3'-H8 4.906 7.758 2.00e+006 ma G19H4'-H1' 4.237 5.752 1.00e+006 ma G19H5"-H1' 3.937 5.752 9.04e+005 ma G19H5"-G20H1' 3.935 5.554 1.00e+006 ma G19H5'-H1' 4.046 5.750 1.76e+006 ma G19H5'-H8 4.046 7.755 3.11e+006 ma G20H1'-H8 5.555 7.813 2.91e+006 ga G20H1'-A21H8 5.553 8.111 4.94e+005 ga G20H2'/2"-H1' 2.410 5.553 1.04e+007 ga G20H2'/2"-H5'/5" 2.412 4.073 3.32e+006 ma G20H2'/2"-H8 2.412 7.813 7.14e+006 ma G20H2'/2"-A21H2'/H2" 2.416 2.515 2.83e+006 ma G20H3'-H8 4.860 7.817 1.20e+006 ga G20H5'/5"-H1' 4.070 5.553 9.94e+005 ga G20H5'/5"-A21H1' 4.076 5.934 1.00e+006 ma A21H1'-H8 5.933 8.111 2.00e+006 ma A21H2'/H2"-H1' 2.523 5.935 8.00e+006 ma A21H2'/H2"-H5' 2.519 3.956 2.44e+006 ga A21H2'/H2"-H8 2.523 8.105 1.00e+007 ma A21H3'-H8 4.894 8.107 2.56e+006 ga A21H5"-A17H5'/5" 3.868 4.083 1.02e+005 ga A21H5"-G20H1' 3.877 5.552 1.28e+006 ga A21H5"-H5' 3.871 3.953 5.00e+006 ma A21H5"-H8 3.868 8.110 2.09e+005 ga A21H5'-G20H1' 3.966 5.554 1.00e+006 ma A21H5'-H8 3.958 8.109 8.14e+005 ga A22H1'-H8 5.648 7.656 2.97e+006 ga A22H2"-A21H5" 2.369 3.872 2.95e+006 ga A22H2"-A21H5' 2.373 3.951 1.54e+006 ma A22H2"-H1' 2.372 5.644 5.96e+006 ga A22H2"-H8 2.362 7.657 1.36e+007 ga A22H2'-A21H5" 2.283 3.872 2.46e+006 ga A22H2'-A21H5' 2.287 3.952 2.24e+006 ma A22H2'-H1' 2.286 5.646 6.52e+006 ga A22H2'-H2" 2.285 2.361 1.04e+007 ga A22H2'-H8 2.295 7.657 1.15e+007 ga A22H3'-H8 4.849 7.655 7.62e+006 ga G23H1'-H8 5.677 7.789 3.20e+006 ga G23H1'-A24H8 5.674 8.163 3.51e+005 ga G23H2'-A21H5" 2.425 3.869 1.53e+005 ma G23H2'-H1' 2.432 5.674 1.15e+007 ga G23H2'-H8 2.432 7.791 5.68e+006 ma G23H2''-H1' 2.482 5.671 2.65e+006 ga G23H2''-H8 2.486 7.794 6.61e+006 ma G23H3'-H8 4.913 7.788 2.00e+006 ma G23H4'-H8 4.306 7.790 -1.86e+006 ga G23H5'/5"-H1' 4.055 5.684 1.00e+006 ma G23H5'/5"-H8 4.059 7.792 1.13e+007 ga A24H1'-H8 6.232 8.163 1.62e+006 ga A24H1'-T25H6 6.230 7.418 4.39e+005 ga A24H2'/H2"-H1' 2.708 6.232 1.17e+007 ga A24H2'/H2"-H8 2.701 8.164 9.54e+006 ga A24H2'/H2"-T25H6 2.704 7.418 3.21e+006 ga A24H3'-H1' 4.969 6.232 2.00e+006 ma A24H3'-H8 4.954 8.163 1.34e+006 ga A24H4'-H1' 4.394 6.235 5.68e+005 ga A24H4'-H8 4.393 8.164 2.00e+006 ma A24H5"-H1' 4.148 6.233 8.39e+005 ga A24H5'-H1' 4.068 6.230 4.21e+005 ma A24H5'-H8 4.072 8.163 1.58e+006 ga T25H1'-H6 5.716 7.418 1.95e+006 ga T25H1'-G26H8 5.717 8.124 7.23e+005 ga T25H2"-G11H1 2.540 11.838 1.07e+005 ga T25H2"-A24H5' 2.539 4.076 1.45e+005 ma T25H2"-H1' 2.538 5.717 5.75e+006 ga T25H2"-H5'/5" 2.539 4.235 4.12e+006 ga T25H2"-H6 2.540 7.417 4.64e+006 ga T25H2"-G27H8 2.545 7.843 1.00e+006 ma T25H2'-G11H1 2.347 11.837 2.17e+005 ga T25H2'-A24H5' 2.333 4.078 3.49e+005 ma T25H2'-H1' 2.345 5.716 5.32e+006 ga T25H2'-H2" 2.343 2.543 1.17e+007 ga T25H2'-H5'/5" 2.344 4.235 5.00e+006 ma T25H2'-H6 2.345 7.417 1.14e+007 ga T25H2'-G26H8 2.348 8.124 1.18e+006 ga T25H3'-H6 4.928 7.417 2.61e+006 ga T25H5'/5"-H1' 4.242 5.717 2.57e+006 ga T25H5'/5"-H6 4.242 7.423 1.46e+007 ga T25H5'/5"-G26H3' 4.237 5.183 5.00e+005 ma T25H6-G11H1 7.420 11.836 5.67e+004 ga T25H6-G12H8 7.421 7.983 7.06e+004 ga T25H6-A24H8 7.417 8.168 9.65e+004 ga T25H6-G26H8 7.417 8.124 5.70e+006 ga T25H7-G11H1 1.336 11.836 5.96e+005 ga T25H7-G11H1' 1.335 6.201 5.09e+005 ga T25H7-A24H1' 1.333 6.235 6.70e+004 ga T25H7-A24H2'/H2" 1.336 2.710 1.27e+006 ga T25H7-A24H8 1.337 8.163 5.49e+005 ga T25H7-H1' 1.334 5.711 1.24e+005 ga T25H7-H2" 1.336 2.543 2.63e+005 ga T25H7-H2' 1.335 2.343 7.38e+005 ga T25H7-H6 1.337 7.417 5.62e+006 ga T25H7-G27H8 1.337 7.845 2.51e+005 ga G26H1-G2H1 11.338 11.624 2.47e+005 ma G26H1-G11H1 11.342 11.839 9.13e+004 ga G26H1'-H8 6.128 8.122 1.63e+006 ga G26H2"-H1' 3.001 6.126 8.73e+006 ga G26H2"-H3' 3.003 5.180 1.84e+006 ga G26H2"-H8 3.003 8.125 5.97e+006 ga G26H2"-G27H8 3.002 7.845 4.87e+006 ga G26H2'-H1' 2.880 6.126 3.52e+006 ga G26H2'-H2" 2.874 3.003 1.18e+007 ga G26H2'-H3' 2.871 5.184 3.13e+006 ga G26H2'-H8 2.874 8.123 7.21e+006 ga G26H2'-G27H8 2.866 7.846 5.18e+006 ga G26H3'-H1' 5.183 6.127 1.83e+006 ga G26H3'-H8 5.184 8.125 2.25e+006 ga G26H3'-G27H8 5.183 7.845 9.70e+005 ga G26H8-G11H1 8.125 11.836 2.00e+005 ma G26H8-G12H1 8.125 11.489 1.00e+005 ma G26H8-G27H8 8.126 7.847 1.15e+005 ga G27H1-G12H1 11.307 11.492 7.01e+005 ga G27H1'-G26H1 6.128 11.341 1.60e+006 ma G27H1'-H1 6.121 11.310 2.99e+006 ma G27H1'-H8 6.127 7.846 4.33e+006 ga G27H2"-H1' 2.826 6.128 5.00e+006 ma G27H2"-H8 2.830 7.847 6.47e+006 ga G27H2"-G28H8 2.828 7.612 3.11e+006 ga G27H2'-H1' 2.721 6.126 5.82e+006 ma G27H2'-H2" 2.726 2.827 7.22e+007 ga G27H2'-H3' 2.724 5.103 1.75e+006 ga G27H2'-H8 2.721 7.846 9.51e+006 ga G27H2'-G28H1 2.721 10.967 7.04e+005 ga G27H2'-G28H8 2.725 7.610 4.95e+006 ga G27H3'-H1' 5.099 6.128 7.31e+005 ma G27H3'-H8 5.104 7.845 1.91e+006 ga G27H8-G12H1 7.847 11.490 3.06e+005 ga G27H8-G13H1 7.847 11.249 5.00e+005 ma G27H8-G26H1 7.851 11.341 5.00e+005 ma G27H8-G28H1 7.840 10.982 1.12e+005 ma G27H8-G28H8 7.848 7.609 3.52e+005 ma G28H1-G4H1 10.985 11.231 6.76e+005 ga G28H1-G13H1 10.986 11.247 3.65e+005 ga G28H1-G27H1 10.982 11.304 5.54e+005 ga G28H1'-H8 5.986 7.609 2.67e+006 ga G28H1'-G29H8 5.989 7.571 2.72e+006 ga G28H2"-H1' 2.683 5.985 1.12e+007 ga G28H2"-H3' 2.686 5.023 8.44e+004 ga G28H2"-H8 2.689 7.609 6.17e+006 ga G28H2"-G29H8 2.687 7.571 4.69e+006 ga G28H2'-H1' 2.381 5.985 6.94e+006 ga G28H2'-H2" 2.380 2.688 1.20e+007 ga G28H2'-H3' 2.379 5.021 5.32e+005 ga G28H2'-H8 2.380 7.608 8.36e+006 ga G28H2'-G29H8 2.380 7.569 4.66e+005 ma G28H3'-H8 5.022 7.611 1.32e+006 ga G28H3'-G29H8 5.016 7.573 1.00e+005 ma G28H8-G13H1 7.610 11.250 1.28e+006 ga G29H1'-H8 5.426 7.570 1.14e+006 ga G29H1'-A30H8 5.427 7.931 7.00e+005 ga G29H1'-G31H8 5.424 8.244 1.94e+005 ga G29H2"-H1' 2.344 5.425 5.72e+006 ga G29H2"-H4' 2.344 4.290 5.00e+006 ma G29H2"-H8 2.345 7.570 6.88e+006 ga G29H2'-H1' 2.272 5.427 2.50e+006 ga G29H2'-H2" 2.271 2.345 2.09e+007 ga G29H2'-H4' 2.274 4.290 5.00e+006 ma G29H2'-H8 2.270 7.570 8.44e+006 ga G29H3'-H8 4.895 7.569 2.37e+006 ga G29H3'-A30H8 4.904 7.930 1.03e+006 ma G29H4'-H1' 4.279 5.427 1.21e+006 ga G29H5"-H1' 4.041 5.427 4.72e+006 ga G29H5"-A30H5' 4.048 4.228 5.00e+005 ma G29H5'-H1' 4.138 5.428 1.00e+006 ma A30H1'-H8 5.832 7.931 2.35e+006 ga A30H2"-H1' 2.451 5.833 1.16e+007 ga A30H2"-H5" 2.427 4.057 3.00e+006 ma A30H2"-H8 2.447 7.932 9.13e+006 ga A30H2'-H1' 2.336 5.833 1.02e+007 ga A30H2'-H2" 2.342 2.449 6.17e+006 ga A30H2'-H5" 2.336 4.059 4.32e+006 ma A30H2'-H8 2.342 7.931 1.20e+007 ga A30H2'-G31H1' 2.335 6.065 4.63e+006 ga A30H4'-G28H1 4.299 10.960 4.52e+005 ga A30H4'-H1' 4.309 5.828 6.08e+005 ma A30H4'-H8 4.303 7.932 2.79e+006 ma A30H5"-H1' 4.061 5.828 2.31e+006 ma A30H5"-H4' 4.063 4.300 2.00e+006 ma A30H5"-H8 4.063 7.930 1.17e+006 ma A30H5'-H1' 4.230 5.834 8.00e+005 ma A30H5'-H4' 4.234 4.297 2.00e+006 ma A30H5'-H8 4.236 7.932 2.18e+006 ma A30H8-T8H6 7.932 7.433 2.21e+006 ga A30H8-G28H1 7.934 10.982 3.00e+005 ma A30H8-G29H8 7.931 7.568 1.00e+005 ma G30H3'-A30H8 4.852 7.932 3.00e+006 ma G31H1'-G4H1 6.077 11.215 3.21e+005 ma G31H1'-H8 6.073 8.244 1.67e+006 ga G31H2"-H1' 2.650 6.072 1.11e+007 ga G31H2"-H8 2.652 8.244 3.72e+006 ga G31H2"-G32H8 2.659 7.229 9.07e+005 ga G31H2'-H1' 2.563 6.072 7.00e+006 ma G31H2'-H2" 2.568 2.648 5.90e+007 ga G31H2'-H8 2.565 8.244 5.25e+006 ga G31H2'-G32H8 2.561 7.229 1.19e+006 ga G31H3'-H1' 4.950 6.073 1.03e+006 ga G31H3'-H8 4.934 8.244 1.09e+006 ga G31H4'-H8 4.171 8.244 9.14e+005 ga G31H5'/5"-H8 4.080 8.243 1.52e+006 ga G32H1'-H8 5.905 7.229 1.30e+006 ga G32H2"-H1' 2.161 5.898 4.86e+006 ga G32H2"-H4' 2.160 4.028 1.00e+006 ma G32H2"-H5'/5" 2.157 3.965 1.52e+006 ma G32H2"-H8 2.163 7.230 1.76e+006 ga G32H2'-H1' 1.876 5.904 1.02e+006 ga G32H2'-H2" 1.877 2.164 3.10e+006 ga G32H2'-H4' 1.872 4.031 8.12e+005 ma G32H2'-H5'/5" 1.868 3.965 2.76e+006 ga G32H2'-H8 1.876 7.229 1.53e+006 ga G32H4'-H1' 4.038 5.900 1.03e+006 ga G32H4'-H8 4.032 7.233 2.09e+006 ga G32H5'/5"-G31H5'/5" 3.963 4.081 1.00e+006 ma G32H5'/5"-H1' 3.947 5.904 4.14e+006 ma G32H5'/5"-H8 3.978 7.231 2.54e+006 ga ; 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 . folded 17 ppm . . . 4.701 . . 34441 1 2 . . H 1 H . folded 17 ppm . . . 4.701 . . 34441 1 stop_ save_