######################### # 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 30254 _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.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 C1H1'-H6 5.673 7.559 C1H1'-G2H8 5.673 7.917 C1H2"-H1' 2.317 5.667 C1H2"-H6 2.315 7.559 C1H2"-G2H8 2.316 7.914 C1H2'-H1' 1.792 5.668 C1H2'-H5 1.794 5.852 C1H2'-H6 1.794 7.559 C1H2'-G2H8 1.794 7.916 C1H4'-H1' 4.009 5.668 C1H5-H6 5.856 7.559 C1H6-G2H8 7.561 7.916 G2H1'-H8 5.485 7.915 G2H1'-A3H8 5.485 8.240 G2H2"-H1' 2.774 5.489 G2H2"-H8 2.773 7.916 G2H2"-A3H8 2.774 8.240 G2H2'-H1' 2.683 5.491 G2H2'-H8 2.683 7.915 G2H2'-A3H8 2.682 8.240 G2H4'-H1' 4.307 5.488 G2H8-A3H8 7.915 8.240 A3H1'-H8 6.298 8.240 A3H1'-T4H6 6.298 7.147 A3H2"-H1' 2.963 6.298 A3H2"-H8 2.962 8.240 A3H2"-T4H6 2.963 7.147 A3H2'-H1' 2.675 6.298 A3H2'-H8 2.666 8.240 A3H2'-T4H6 2.675 7.147 A3H4'-H1' 4.507 6.298 T4H1'-H6 5.940 7.147 T4H1'-T5H6 5.938 7.417 T4H2"-H1' 2.593 5.937 T4H2"-H6 2.593 7.147 T4H2"-T5H6 2.593 7.421 T4H2'-H1' 2.024 5.937 T4H2'-H6 2.024 7.147 T4H2'-T5H6 2.025 7.420 T4H4'-H1' 4.218 5.937 T4H5#-A3H1' 1.332 6.298 T4H5#-A3H2" 1.332 2.971 T4H5#-A3H2' 1.332 2.674 T4H5#-A3H8 1.332 8.240 T4H5#-H6 1.332 7.147 T4H6-A3H8 7.148 8.240 T4H6-T5H6 7.147 7.420 T5H1'-H6 6.158 7.416 T5H2"-H1' 2.648 6.167 T5H2"-H6 2.651 7.421 T5H2'-H1' 2.226 6.168 T5H2'-H6 2.221 7.423 T5H4'-H1' 4.245 6.168 T5H5#-T4H1' 1.511 5.937 T5H5#-T4H2" 1.511 2.599 T5H5#-T4H2' 1.511 2.024 T5H5#-T4H6 1.511 7.147 T5H5#-H6 1.511 7.420 T6H1'-H6 6.168 7.441 T6H4'-H1' 4.239 6.167 T6H5#-T5H2" 1.587 2.650 T6H5#-T5H2' 1.584 2.212 T6H5#-H6 1.597 7.439 T7H1'-H6 6.129 7.434 T7H1'-T8H6 6.130 7.418 T7H2"-H1' 2.653 6.126 T7H2'-H1' 2.197 6.126 T7H4'-H1' 4.232 6.126 T7H5#-T6H1' 1.573 6.168 T7H5#-T6H1' 1.587 6.168 T7H5#-T6H2" 1.570 2.637 T7H5#-T6H2' 1.572 2.223 T7H5#-H6 1.580 7.439 T8H1'-H6 6.060 7.420 T8H1'-T9H6 6.060 7.228 T8H2"-H1' 2.586 6.059 T8H2"-T9H6 2.586 7.227 T8H2'-H1' 2.110 6.059 T8H2'-H6 2.118 7.417 T8H2'-T9H6 2.110 7.227 T8H4'-H1' 4.191 6.059 T8H5#-T7H1' 1.605 6.126 T8H5#-T7H2" 1.599 2.659 T8H5#-T7H2' 1.598 2.201 T8H5#-H6 1.574 7.420 T9H1'-H6 5.739 7.227 T9H1'-G10H8 5.736 7.839 T9H2"-H1' 2.357 5.730 T9H2"-H6 2.356 7.227 T9H2"-G10H8 2.356 7.839 T9H2'-H1' 1.959 5.733 T9H2'-H6 1.959 7.227 T9H2'-G10H8 1.960 7.839 T9H4'-H1' 4.073 5.733 T9H5#-T8H1' 1.640 6.059 T9H5#-T8H2" 1.640 2.591 T9H5#-T8H2' 1.640 2.110 T9H5#-T8H6 1.637 7.419 T9H5#-H6 1.640 7.227 T9H6-T8H6 7.226 7.421 T9H6-G10H8 7.228 7.839 G10H1'-H8 5.565 7.839 G10H1'-G11H8 5.566 7.726 G10H2'-H1' 2.676 5.562 G10H2'-H8 2.669 7.839 G10H2'-G11H8 2.670 7.727 G10H4'-H1' 4.337 5.562 G11H1'-H8 5.937 7.726 G11H1'-C12H6 5.934 7.417 G11H2"-H1' 2.683 5.934 G11H2"-H8 2.684 7.726 G11H2"-C12H5 2.684 5.416 G11H2"-C12H6 2.684 7.413 G11H2'-H1' 2.507 5.934 G11H2'-H8 2.507 7.726 G11H2'-C12H5 2.507 5.416 G11H2'-C12H6 2.507 7.414 G11H4'-H1' 4.349 5.934 G11H8-G10H8 7.727 7.839 C12H1'-H6 6.143 7.414 C12H2'-H1' 2.140 6.144 C12H2'-H5 2.128 5.415 C12H4'-H1' 3.989 6.144 C12H5-G11H8 5.408 7.726 C12H5-H6 5.408 7.414 C12H6-G11H8 7.414 7.726 G13H1'-H8 5.969 7.951 G13H1'-C14H6 5.969 7.446 G13H2"-H1' 2.744 5.966 G13H2"-H8 2.745 7.950 G13H2"-C14H5 2.744 5.374 G13H2"-C14H6 2.744 7.446 G13H2'-H1' 2.615 5.966 G13H2'-H8 2.613 7.951 G13H2'-C14H5 2.614 5.374 G13H2'-C14H6 2.611 7.445 G13H4'-H1' 4.222 5.966 C14H1'-H6 6.016 7.446 C14H1'-C15H6 6.017 7.404 C14H2"-H1' 2.431 6.015 C14H2"-H6 2.430 7.446 C14H2"-C15H5 2.432 5.609 C14H2"-C15H6 2.432 7.407 C14H2'-H1' 2.082 6.016 C14H2'-H5 2.080 5.374 C14H2'-H6 2.081 7.446 C14H2'-C15H5 2.080 5.609 C14H2'-C15H6 2.082 7.407 C14H4'-H1' 4.208 6.015 C14H5-G13H8 5.362 7.951 C14H5-H6 5.362 7.447 C14H6-G13H8 7.449 7.951 C15H1'-H6 5.226 7.405 C15H1'-A16H8 5.226 8.150 C15H2"-H1' 2.179 5.249 C15H2"-H6 2.183 7.405 C15H2"-A16H8 2.179 8.150 C15H2'-H1' 1.893 5.243 C15H2'-H5 1.892 5.610 C15H2'-H6 1.895 7.405 C15H2'-A16H8 1.892 8.150 C15H4'-H1' 4.006 5.249 C15H5-C14H6 5.613 7.446 C15H5-H6 5.613 7.404 C15H6-A16H8 7.404 8.151 A16H1'-H8 5.679 8.150 A16H1'-A17H8 5.679 8.022 A16H2"-H1' 2.743 5.672 A16H2"-H8 2.742 8.150 A16H2"-A17H8 2.742 8.021 A16H2'-H1' 2.659 5.673 A16H2'-H8 2.658 8.150 A16H2'-A17H8 2.660 8.023 A17H1'-H8 5.663 8.023 A17H1'-A18H8 5.658 7.934 A17H2-A16H2 6.953 7.179 A17H2"-H1' 2.712 5.654 A17H2"-H8 2.715 8.022 A17H2'-H1' 2.514 5.654 A17H2'-H8 2.513 8.023 A17H2'-A18H8 2.515 7.935 A17H4'-H1' 4.363 5.655 A17H8-A16H8 8.022 8.150 A18H1'-H8 5.718 7.934 A18H1'-A19H8 5.718 7.878 A18H2"-H1' 2.772 5.708 A18H2"-A19H8 2.771 7.879 A18H2'-H1' 2.454 5.708 A18H2'-H8 2.460 7.935 A18H4'-H1' 4.372 5.709 A19H1'-H8 5.799 7.878 A19H1'-A20H8 5.799 7.860 A19H2"-H1' 2.849 5.793 A19H2"-H8 2.848 7.877 A19H2"-A20H8 2.850 7.859 A19H2'-H1' 2.431 5.793 A19H2'-H8 2.435 7.878 A19H2'-A20H8 2.436 7.861 A19H4'-H1' 4.384 5.793 A20H1'-H8 5.873 7.859 A20H1'-A21H8 5.873 7.936 A20H2-A21H2 6.965 7.606 A20H2"-H1' 2.881 5.868 A20H2"-H8 2.871 7.858 A20H2"-A21H8 2.876 7.936 A20H2'-H1' 2.464 5.868 A20H2'-H8 2.463 7.861 A20H4'-H1' 4.423 5.868 A21H1'-H8 6.051 7.936 A21H1'-T22H6 6.051 7.025 A21H2-A3H2 7.607 7.835 A21H2"-H1' 2.862 6.050 A21H2"-H8 2.864 7.935 A21H2"-T22H6 2.861 7.025 A21H2'-H1' 2.415 6.050 A21H2'-H8 2.424 7.936 A21H2'-T22H6 2.417 7.023 A21H4'-H1' 4.450 6.051 T22H1'-H6 5.885 7.025 T22H1'-C23H6 5.886 7.409 T22H2"-H1' 2.407 5.881 T22H2"-H6 2.402 7.025 T22H2"-C23H5 2.409 5.569 T22H2"-C23H6 2.405 7.407 T22H2'-H1' 1.915 5.881 T22H2'-H6 1.915 7.025 T22H2'-C23H5 1.916 5.569 T22H4'-H1' 4.181 5.882 T22H5#-A21H1' 1.157 6.050 T22H5#-A21H2" 1.157 2.869 T22H5#-A21H2' 1.158 2.415 T22H5#-A21H8 1.157 7.936 T22H5#-H6 1.157 7.025 T22H5#-C23H5 1.157 5.569 T22H6-A21H8 7.025 7.936 T22H6-C23H6 7.026 7.409 C23H1'-H6 5.710 7.409 C23H1'-G24H8 5.710 7.915 C23H2"-H1' 2.349 5.706 C23H2"-H5 2.350 5.569 C23H2"-H6 2.348 7.410 C23H2"-G24H8 2.347 7.917 C23H2'-H1' 1.966 5.706 C23H2'-H5 1.963 5.569 C23H2'-H6 1.965 7.410 C23H2'-G24H8 1.966 7.916 C23H4'-H1' 4.100 5.705 C23H5-T22H6 5.572 7.025 C23H5-H6 5.571 7.410 C23H6-G24H8 7.411 7.917 G24H1'-H8 6.142 7.916 G24H2"-H1' 2.588 6.143 G24H2"-H8 2.589 7.916 G24H2'-H1' 2.337 6.142 ; 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 . . 22 ppm . . . 4.76 . . 30254 1 2 . . H 1 H . . 22 ppm . . . 4.76 . . 30254 1 stop_ save_