######################### # 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 30255 _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 5.670 7.559 C1H1'-G2H8 5.669 7.917 C1H2"-H1' 2.316 5.665 C1H2"-H6 2.316 7.559 C1H2"-G2H8 2.317 7.915 C1H2'-H1' 1.794 5.665 C1H2'-H5 1.793 5.850 C1H2'-H6 1.794 7.560 C1H2'-G2H8 1.794 7.917 C1H4'-H1' 4.009 5.665 C1H5-H6 5.854 7.559 C1H6-G2H8 7.559 7.919 G2H1'-H8 5.489 7.917 G2H1'-A3H8 5.489 8.240 G2H2"-H1' 2.776 5.493 G2H2"-H8 2.770 7.917 G2H2"-A3H8 2.776 8.240 G2H2'-H1' 2.685 5.495 G2H2'-H8 2.685 7.917 G2H2'-A3H8 2.677 8.240 G2H4'-H1' 4.272 5.492 G2H8-A3H8 7.917 8.240 A3H1'-H8 6.297 8.240 A3H1'-T4H6 6.297 7.148 A3H2"-H1' 2.963 6.298 A3H2"-H8 2.962 8.240 A3H2"-T4H6 2.963 7.148 A3H2'-H1' 2.677 6.298 A3H2'-H8 2.677 8.240 A3H2'-T4H6 2.675 7.148 A3H4'-H1' 4.469 6.298 T4H1'-H6 5.940 7.148 T4H1'-T5H6 5.945 7.420 T4H2"-H1' 2.591 5.938 T4H2"-H6 2.583 7.153 T4H2"-T5H6 2.583 7.419 T4H2'-H1' 2.027 5.938 T4H2'-H6 2.026 7.148 T4H2'-T5H6 2.025 7.419 T4H4'-H1' 4.218 5.938 T4H5#-A3H1' 1.332 6.298 T4H5#-A3H2" 1.332 2.972 T4H5#-A3H2' 1.331 2.677 T4H5#-A3H8 1.331 8.240 T4H5#-H2' 1.332 2.028 T4H5#-H6 1.331 7.148 T4H6-A3H8 7.147 8.240 T4H6-T5H6 7.148 7.420 T5H1'-H6 6.160 7.420 T5H2"-H1' 2.652 6.167 T5H2"-H6 2.656 7.421 T5H2'-H1' 2.227 6.165 T5H2'-H6 2.229 7.422 T5H5#-T4H1' 1.510 5.938 T5H5#-T4H2" 1.513 2.598 T5H5#-T4H2' 1.511 2.028 T5H5#-T4H6 1.510 7.148 T5H5#-H2' 1.513 2.228 T5H5#-H6 1.511 7.419 T6H2"-H1' 2.637 6.166 T6H2'-H1' 2.227 6.165 T6H5#-T5H1' 1.582 6.164 T6H5#-T5H2" 1.586 2.653 T6H5#-T5H2' 1.586 2.229 T6H5#-H6 1.582 7.430 T7H1'-H6 6.116 7.428 T7H1'-T8H6 6.113 7.453 T7H2"-H1' 2.649 6.114 T7H2"-H6 2.648 7.444 T7H2'-H1' 2.178 6.115 T7H4'-H1' 4.234 6.114 T7H5#-T6H1' 1.569 6.164 T7H5#-T6H2" 1.572 2.642 T7H5#-T6H2' 1.574 2.228 T7H5#-H2' 1.575 2.173 T7H5#-H6 1.570 7.440 T7H5#-T8H2' 1.572 2.155 T7H5#-A16H1# 1.579 3.751 T8H1'-H6 6.073 7.454 T8H1'-T9H6 6.072 7.155 T8H2"-H1' 2.579 6.071 T8H2"-H6 2.582 7.453 T8H2"-T9H6 2.583 7.153 T8H2'-H1' 2.156 6.072 T8H2'-H6 2.160 7.453 T8H2'-T9H6 2.157 7.156 T8H4'-H1' 4.225 6.072 T8H5#-T7H1' 1.631 6.114 T8H5#-T7H2" 1.630 2.654 T8H5#-T7H2' 1.631 2.175 T8H5#-H6 1.633 7.453 T8H5#-A16H1# 1.632 3.750 T9H1'-H6 5.744 7.156 T9H1'-G10H8 5.744 7.913 T9H2"-H1' 2.157 5.739 T9H2"-H6 2.157 7.156 T9H2"-G10H8 2.157 7.909 T9H2'-H1' 1.568 5.740 T9H2'-H6 1.568 7.156 T9H2'-G10H8 1.568 7.909 T9H4'-H1' 3.975 5.740 T9H5#-T8H1' 1.661 6.072 T9H5#-T8H2" 1.662 2.583 T9H5#-T8H2' 1.661 2.159 T9H5#-H6 1.664 7.156 T9H6-T8H6 7.155 7.453 T9H6-G10H8 7.155 7.909 G10H1'-H8 5.544 7.908 G10H1'-G11H8 5.544 7.700 G10H2'-H1' 2.732 5.544 G10H2'-H8 2.728 7.909 G10H2'-G11H8 2.727 7.700 G10H4'-H1' 4.299 5.545 G11H1'-H8 5.940 7.700 G11H1'-C12H6 5.941 7.408 G11H2"-H1' 2.677 5.938 G11H2"-H8 2.677 7.700 G11H2"-C12H5 2.676 5.391 G11H2"-C12H6 2.675 7.407 G11H2'-H1' 2.492 5.938 G11H2'-H8 2.490 7.700 G11H2'-C12H5 2.490 5.390 G11H2'-C12H6 2.491 7.407 G11H4'-H1' 4.348 5.938 G11H8-G10H8 7.702 7.909 C12H1'-H6 6.141 7.408 C12H2'-H1' 2.140 6.140 C12H2'-H5 2.125 5.390 C12H2'-H6 2.129 7.407 C12H5-G11H8 5.379 7.700 C12H5-H6 5.380 7.407 C12H6-G11H8 7.408 7.700 G13H1'-H8 5.970 7.953 G13H1'-C14H6 5.969 7.464 G13H2"-H1' 2.741 5.969 G13H2"-H8 2.741 7.953 G13H2"-C14H5 2.741 5.355 G13H2"-C14H6 2.741 7.464 G13H2'-H1' 2.643 5.967 G13H2'-H8 2.640 7.953 G13H2'-C14H5 2.640 5.354 G13H2'-C14H6 2.640 7.463 G13H4'-H1' 4.226 5.974 C14H1'-H6 5.982 7.463 C14H1'-C15H6 5.981 7.355 C14H2"-H1' 2.404 5.979 C14H2"-H6 2.404 7.464 C14H2"-C15H5 2.402 5.538 C14H2"-C15H6 2.403 7.356 C14H2'-H1' 2.112 5.977 C14H2'-H5 2.108 5.355 C14H2'-H6 2.112 7.464 C14H2'-C15H5 2.111 5.538 C14H2'-C15H6 2.113 7.355 C14H4'-H1' 4.226 5.974 C14H5-G13H8 5.341 7.954 C14H5-H6 5.340 7.464 C14H6-G13H8 7.464 7.954 C15H1'-H6 5.789 7.356 C15H1'-A16H2 5.789 8.420 C15H2"-H1' 2.390 5.783 C15H2"-H6 2.387 7.354 C15H2"-A16H1# 2.394 3.750 C15H2"-A16H2 2.390 8.420 C15H2'-H1' 1.724 5.784 C15H2'-H5 1.725 5.538 C15H2'-H6 1.724 7.356 C15H2'-A16H1# 1.724 3.750 C15H2'-A16H2 1.724 8.420 C15H4'-H1' 4.121 5.783 C15H5-H6 5.538 7.355 C15H5-A16H1# 5.538 3.750 C15H5-A16H2 5.541 8.420 C15H6-A16H1# 7.356 3.750 C15H6-A16H2 7.356 8.420 A16H1'-H8 5.586 7.478 A16H1'-A17H8 5.583 8.192 A16H2-H1# 8.420 3.750 A16H2"-H1' 2.249 5.582 A16H2'-H1' 2.016 5.582 A16H4'-H1' 4.027 5.582 A17H1'-H8 5.545 8.189 A17H1'-A18H8 5.545 7.985 A17H2-A16H8 7.113 7.478 A17H2'-H1' 2.761 5.544 A17H2'-H8 2.767 8.188 A17H2'-A18H8 2.763 7.985 A18H1'-H8 5.723 7.985 A18H1'-A19H8 5.723 7.916 A18H2-A17H2 6.892 7.113 A18H2"-H1' 2.766 5.724 A18H2'-H1' 2.476 5.725 A18H2'-H8 2.479 7.985 A18H2'-A19H8 2.481 7.917 A18H8-A17H8 7.984 8.187 A19H1'-H8 5.809 7.917 A19H1'-A20H8 5.808 7.881 A19H2"-H1' 2.849 5.804 A19H2"-H8 2.848 7.918 A19H2"-A20H8 2.850 7.881 A19H2'-H1' 2.453 5.804 A19H2'-H8 2.446 7.918 A19H2'-A20H8 2.445 7.881 A19H4'-H1' 4.350 5.803 A20H1'-H8 5.874 7.881 A20H1'-A21H8 5.874 7.941 A20H2-A19H2 6.883 6.961 A20H2-A21H2 6.963 7.600 A20H2"-H1' 2.879 5.871 A20H2"-H8 2.870 7.882 A20H2"-A21H8 2.873 7.941 A20H2'-H1' 2.481 5.870 A20H2'-H8 2.474 7.881 A20H2'-A21H8 2.474 7.940 A20H4'-H1' 4.388 5.869 A21H1'-H8 6.050 7.940 A21H1'-T22H6 6.050 7.025 A21H2-A3H2 7.599 7.832 A21H2"-H1' 2.860 6.050 A21H2"-H8 2.858 7.940 A21H2"-T22H6 2.861 7.025 A21H2'-H1' 2.419 6.050 A21H2'-H8 2.421 7.941 A21H2'-T22H6 2.418 7.022 A21H4'-H1' 4.409 6.049 T22H1'-H6 5.878 7.023 T22H1'-C23H6 5.882 7.409 T22H2"-H1' 2.406 5.878 T22H2"-H6 2.402 7.023 T22H2"-C23H5 2.405 5.568 T22H2"-C23H6 2.406 7.409 T22H2'-H1' 1.915 5.879 T22H2'-H6 1.914 7.025 T22H2'-C23H5 1.915 5.568 T22H2'-C23H6 1.913 7.408 T22H4'-H1' 4.178 5.879 T22H5#-A21H1' 1.164 6.049 T22H5#-A21H2" 1.162 2.869 T22H5#-A21H2' 1.163 2.417 T22H5#-A21H8 1.162 7.941 T22H5#-H1' 1.163 5.876 T22H5#-H2' 1.162 1.915 T22H5#-H6 1.162 7.025 T22H5#-C23H5 1.162 5.568 T22H6-A21H8 7.025 7.941 T22H6-C23H6 7.025 7.409 C23H1'-H6 5.710 7.409 C23H1'-G24H8 5.710 7.916 C23H2"-H1' 2.348 5.705 C23H2"-H6 2.347 7.409 C23H2"-G24H8 2.347 7.915 C23H2'-H1' 1.963 5.706 C23H2'-H5 1.965 5.570 C23H2'-H6 1.964 7.409 C23H2'-G24H8 1.964 7.914 C23H4'-H1' 4.099 5.705 C23H5-T22H6 5.569 7.025 C23H5-H6 5.570 7.409 C23H6-G24H8 7.409 7.915 G24H1'-H8 6.139 7.914 G24H2"-H1' 2.589 6.142 G24H2"-H8 2.588 7.914 G24H2'-H1' 2.337 6.141 G24H2'-H8 2.334 7.914 ; 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 . . 30255 1 2 . . H 1 H . . 22 ppm . . . 4.76 . . 30255 1 stop_ save_