######################### # 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 34677 _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 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 ; 395 peaks Assignment Shift (ppm) G1H1'-H1' 5.848 5.848 G1H1'-H8 5.848 8.129 G1H1'-G2H1' 5.847 5.981 G1H1'-G2H8 5.848 7.998 G1H2'-H1' 4.975 5.847 G1H2'-H8 4.976 8.128 G1H2'-G2H1' 4.978 5.980 G1H2'-G2H8 4.976 7.998 G1H3'-H1' 4.764 5.847 G1H3'-H8 4.764 8.129 G1H3'-G2H8 4.765 7.998 G1H4'-H1' 4.658 5.848 G1H4'-H8 4.660 8.129 G1H4'-G2H8 4.661 7.996 G1H5"-H1' 4.365 5.849 G1H5"-H8 4.365 8.128 G1H5"-G2H8 4.365 7.996 G1H5'-H1' 4.381 5.849 G1H5'-H8 4.382 8.128 G1H5'-G2H8 4.382 7.996 G1H8-H8 8.130 8.129 G1H8-G2H8 8.130 7.995 G2H1'-H1' 5.979 5.979 G2H1'-H8 5.979 7.998 G2H1'-G3H8 5.979 7.884 G2H2'-H1' 4.468 5.979 G2H2'-H1' 4.468 5.979 G2H2'-H8 4.468 7.996 G2H2'-G3H1' 4.467 6.085 G2H2'-G3H8 4.468 7.883 G2H4'-H1' 4.623 5.980 G2H4'-H8 4.621 7.997 G2H8-G1H8 7.997 8.129 G2H8-H8 7.997 7.997 G2H8-G3H8 7.997 7.883 G3H1'-H1' 6.087 6.087 G3H1'-H8 6.086 7.884 G3H1'-C4H6 6.085 7.683 G3H1'-A6H2 6.087 8.265 G3H2'-H1' 4.293 6.086 G3H2'-H8 4.293 7.884 G3H2'-C4H6 4.293 7.684 G3H3'-H1' 4.767 6.086 G3H3'-H8 4.767 7.885 G3H3'-C4H6 4.767 7.685 G3H4'-H1' 4.399 6.087 G3H4'-H8 4.397 7.885 G3H4'-C4H6 4.397 7.684 G3H5"-G2H1' 4.103 5.980 G3H5"-H1' 4.103 6.087 G3H5"-H8 4.102 7.884 G3H5'-H1' 4.611 6.084 G3H5'-H8 4.611 7.883 G3H8-G2H8 7.880 7.998 G3H8-H8 7.882 7.882 G3H8-C4H6 7.881 7.683 C4H1'-H1' 5.819 5.820 C4H1'-H6 5.820 7.683 C4H1'-A6H2 5.824 8.264 C4H2'-H1' 4.255 5.820 C4H2'-H6 4.254 7.684 C4H3'-H1' 4.531 5.820 C4H3'-H6 4.530 7.684 C4H3'-C5H6 4.530 7.795 C4H4'-H1' 4.216 5.821 C4H4'-H6 4.214 7.683 C4H4'-C5H6 4.215 7.796 C4H5-H5 5.844 5.844 C4H5-H6 5.844 7.683 C4H5"-H6 4.044 7.684 C4H6-G3H8 7.680 7.883 C4H6-H6 7.682 7.683 C5H1'-H1' 5.950 5.950 C5H1'-H6 5.949 7.796 C5H1'-A6H8 5.948 8.501 C5H2'-H1' 4.340 5.947 C5H2'-H6 4.338 7.796 C5H2'-A6H1' 4.343 6.108 C5H2'-A6H8 4.341 8.501 C5H3'-H1' 4.591 5.948 C5H3'-H6 4.588 7.796 C5H3'-A6H8 4.587 8.502 C5H4'-H1' 4.376 5.947 C5H4'-H6 4.376 7.793 C5H4'-A6H8 4.375 8.501 C5H5-H5 5.988 5.988 C5H5-H6 5.988 7.795 C5H5-A6H1' 5.988 6.111 C5H5-A6H2 5.989 8.264 C5H5"-C4H1' 4.068 5.820 C5H5"-H1' 4.068 5.949 C5H5"-H6 4.068 7.795 C5H5"-A6H8 4.069 8.501 C5H5'-C4H1' 4.106 5.821 C5H5'-H1' 4.105 5.948 C5H5'-H6 4.104 7.796 C5H5'-A6H8 4.110 8.501 C5H6-H6 7.796 7.796 C5H6-A6H8 7.801 8.501 A6H1'-H1' 6.108 6.109 A6H1'-H2 6.109 8.264 A6H1'-H8 6.111 8.501 A6H1'-U7H6 6.113 7.792 A6H2-H2 8.264 8.264 A6H2'-H1' 4.894 6.110 A6H2'-H8 4.896 8.501 A6H2'-U7H1' 4.893 5.905 A6H2'-U7H6 4.895 7.794 A6H2'-G9H1' 4.894 5.840 A6H3'-H1' 4.822 6.108 A6H3'-H8 4.827 8.501 A6H3'-U7H6 4.826 7.793 A6H4'-H1' 4.591 6.108 A6H4'-H8 4.593 8.501 A6H5"-H1' 4.215 6.108 A6H5"-H8 4.215 8.501 A6H5'-H1' 4.271 6.107 A6H5'-H8 4.270 8.501 A6H8-H8 8.501 8.501 U7H1'-A6H2 5.903 8.265 U7H1'-H1' 5.900 5.901 U7H1'-H6 5.901 7.791 U7H1'-G8H8 5.902 8.028 U7H2'-H1' 4.352 5.902 U7H2'-H6 4.352 7.793 U7H2'-G8H8 4.353 8.029 U7H3'-H1' 4.651 5.902 U7H3'-H6 4.650 7.793 U7H3'-G8H8 4.649 8.028 U7H4'-H1' 4.407 5.902 U7H4'-H6 4.409 7.794 U7H4'-G8H8 4.408 8.028 U7H5-A6H1' 5.795 6.111 U7H5-A6H8 5.793 8.502 U7H5-H5 5.798 5.798 U7H5-H6 5.798 7.792 U7H5"-H6 4.085 7.793 U7H5'-H6 4.121 7.794 U7H5'-G8H8 4.119 8.029 U7H6-A6H8 7.793 8.502 U7H6-H6 7.792 7.792 G8H1'-H1' 5.904 5.904 G8H1'-H8 5.903 8.028 G8H1'-G9H8 5.902 8.108 G8H2'-H1' 4.989 5.902 G8H2'-H8 4.988 8.029 G8H3'-H1' 4.934 5.902 G8H3'-H8 4.935 8.029 G8H4'-H1' 4.545 5.902 G8H4'-H8 4.548 8.029 G8H4'-G9H1' 4.542 5.840 G8H4'-G9H8 4.543 8.108 G8H5"-H8 4.244 8.029 G8H5'-H8 4.472 8.030 G8H8-H8 8.029 8.029 G9H1'-H1' 5.839 5.838 G9H1'-H8 5.838 8.108 G9H1'-G10H1' 5.840 5.979 G9H1'-G10H8 5.839 7.978 G9H2'-H1' 5.015 5.839 G9H2'-H8 5.014 8.108 G9H2'-G10H1' 5.015 5.977 G9H2'-G10H8 5.014 7.977 G9H3'-H1' 4.780 5.841 G9H3'-H8 4.785 8.108 G9H3'-G10H8 4.785 7.977 G9H4'-H1' 4.624 5.839 G9H4'-H8 4.623 8.108 G9H4'-G10H8 4.624 7.979 G9H5"-H1' 4.341 5.841 G9H5"-H8 4.341 8.108 G9H5"-G10H8 4.341 7.978 G9H5'-H1' 4.350 5.841 G9H5'-H8 4.350 8.108 G9H5'-G10H8 4.350 7.977 G9H8-H8 8.108 8.110 G9H8-G10H8 8.108 7.979 G10H1'-H1' 5.978 5.979 G10H1'-H8 5.977 7.977 G10H1'-G11H8 5.977 7.922 G10H2'-H1' 4.697 5.977 G10H2'-H8 4.698 7.977 G10H2'-G11H8 4.697 7.922 G10H4'-H8 4.641 7.978 G10H5"-H8 4.450 7.977 G10H5'-H8 4.535 7.977 G10H8-G9H8 7.978 8.110 G10H8-H8 7.979 7.979 G11H1'-H1' 6.211 6.211 G11H1'-H8 6.211 7.921 G11H2'-H1' 4.665 6.211 G11H2'-H8 4.666 7.922 G11H3'-H1' 4.806 6.211 G11H3'-H8 4.806 7.921 G11H4'-H1' 4.771 6.211 G11H4'-H8 4.769 7.922 G11H5"-H1' 4.101 6.212 G11H5"-H8 4.099 7.922 G11H5'-H1' 4.806 6.212 G11H5'-H8 4.806 7.921 G11H8-H8 7.921 7.921 U12H1'-H1' 6.236 6.233 U12H1'-H6 6.237 7.996 U12H2'-H1' 4.506 6.237 U12H2'-H6 4.504 7.994 U12H3'-G11H1' 4.939 6.211 U12H3'-H1' 4.939 6.237 U12H3'-H6 4.941 7.994 U12H4'-H1' 4.761 6.236 U12H4'-H6 4.765 7.993 U12H4'-G13H8 4.760 7.856 U12H5-H5 6.043 6.043 U12H5-H6 6.044 7.995 U12H5"-G11H1' 4.359 6.212 U12H5"-H1' 4.360 6.238 U12H5'-G11H1' 4.410 6.212 U12H5'-H1' 4.405 6.237 U12H6-H6 7.995 7.995 G13H1'-H1' 5.780 5.780 G13H1'-H8 5.780 7.855 G13H1'-G14H8 5.781 7.927 G13H2'-H1' 4.982 5.781 G13H2'-H8 4.982 7.855 G13H2'-G14H1' 4.983 5.971 G13H2'-G14H8 4.982 7.927 G13H3'-H1' 4.680 5.781 G13H3'-H8 4.682 7.856 G13H3'-G14H8 4.680 7.928 G13H4'-H1' 4.591 5.781 G13H4'-H8 4.591 7.855 G13H5"-H1' 4.354 5.782 G13H5"-H8 4.354 7.855 G13H5'-H1' 4.450 5.782 G13H5'-H8 4.450 7.857 G13H8-H8 7.855 7.855 G14H1'-H1' 5.968 5.968 G14H1'-H8 5.969 7.925 G14H1'-G15H8 5.969 7.906 G14H2'-H1' 4.441 5.969 G14H2'-H8 4.442 7.927 G14H2'-G15H8 4.441 7.907 G14H3'-H1' 4.867 5.970 G14H3'-H8 4.866 7.928 G14H3'-G15H8 4.866 7.907 G14H4'-H1' 4.584 5.968 G14H4'-H8 4.584 7.928 G14H5"-H1' 4.246 5.968 G14H5"-H8 4.248 7.927 G14H5'-H1' 4.686 5.969 G14H5'-H8 4.686 7.928 G14H8-H8 7.926 7.926 G15H1'-H1' 6.024 6.026 G15H1'-H8 6.027 7.906 G15H2'-H1' 4.307 6.029 G15H2'-H8 4.307 7.907 G15H2'-A16H8 4.307 8.420 G15H3'-H1' 4.753 6.029 G15H3'-H8 4.756 7.907 G15H4'-H1' 4.248 6.029 G15H4'-H8 4.248 7.907 G15H4'-A16H8 4.250 8.420 G15H5"-G14H1' 3.988 5.968 G15H5"-H1' 3.989 6.029 G15H5"-H8 3.989 7.907 G15H5"-A16H8 3.991 8.420 G15H5'-H1' 4.503 6.027 G15H5'-H8 4.501 7.907 G15H5'-A16H8 4.503 8.420 G15H8-H8 7.906 7.907 A16H1'-H1' 6.039 6.039 A16H1'-H2 6.038 8.153 A16H1'-H8 6.040 8.420 A16H1'-G17H8 6.042 8.102 A16H2-H2 8.152 8.152 A16H2'-H1' 4.773 6.037 A16H2'-H8 4.773 8.420 A16H3'-H1' 4.744 6.037 A16H3'-H8 4.743 8.419 A16H3'-G17H8 4.744 8.102 A16H4'-H1' 4.465 6.039 A16H4'-H8 4.461 8.420 A16H4'-G17H8 4.462 8.103 A16H5"-H1' 3.973 6.036 A16H5"-H8 3.974 8.420 A16H5"-G17H1' 3.973 5.965 A16H5"-G17H8 3.971 8.102 A16H5'-H1' 4.067 6.035 A16H5'-H8 4.064 8.420 A16H5'-G17H1' 4.061 5.965 A16H5'-G17H8 4.065 8.102 A16H8-H8 8.419 8.420 G17H1'-H1' 5.963 5.963 G17H1'-H8 5.963 8.102 G17H2'-H1' 4.936 5.962 G17H2'-H8 4.936 8.102 G17H2'-C18H6 4.935 7.865 G17H3'-H1' 4.883 5.964 G17H3'-H8 4.885 8.102 G17H3'-C18H6 4.884 7.868 G17H4'-H1' 4.576 5.964 G17H4'-H8 4.577 8.102 G17H5"-H1' 4.255 5.965 G17H5"-H8 4.258 8.103 G17H5'-H1' 4.317 5.965 G17H5'-H8 4.318 8.103 G17H8-H8 8.101 8.101 C18H1'-H1' 6.025 6.027 C18H1'-H6 6.025 7.868 C18H2'-H1' 4.438 6.027 C18H2'-H6 4.437 7.867 C18H3'-H1' 4.688 6.028 C18H3'-H6 4.688 7.868 C18H3'-U19H5 4.688 5.748 C18H3'-U19H6 4.689 7.809 C18H4'-H1' 4.504 6.027 C18H4'-H6 4.503 7.867 C18H4'-U19H5 4.504 5.745 C18H5-H5 5.979 5.979 C18H5-H6 5.978 7.868 C18H5"-H1' 4.230 6.026 C18H5"-H6 4.230 7.867 C18H5"-U19H5 4.230 5.747 C18H5'-H1' 4.319 6.027 C18H5'-H6 4.319 7.867 C18H6-H6 7.867 7.867 U19H1'-A16H8 5.890 8.420 U19H1'-H1' 5.887 5.887 U19H1'-H6 5.886 7.810 U19H1'-G20H8 5.891 8.116 U19H2'-A16H2 4.463 8.153 U19H2'-H1' 4.466 5.888 U19H2'-H5 4.462 5.746 U19H2'-H6 4.462 7.809 U19H2'-G20H8 4.461 8.115 U19H3'-H1' 4.762 5.888 U19H3'-H5 4.765 5.747 U19H3'-H6 4.765 7.809 U19H4'-H1' 4.453 5.888 U19H4'-H5 4.448 5.746 U19H4'-H6 4.449 7.808 U19H5-A16H8 5.747 8.419 U19H5-C18H5 5.747 5.979 U19H5-H5 5.748 5.748 U19H5-H6 5.748 7.810 U19H5"-H6 4.182 7.807 U19H5'-H6 4.280 7.808 U19H6-A16H8 7.810 8.420 U19H6-H6 7.809 7.810 G20H1'-H1' 5.837 5.837 G20H1'-H8 5.836 8.116 G20H1'-G21H1' 5.837 6.041 G20H1'-G21H8 5.837 7.993 G20H2'-H1' 4.962 5.836 G20H2'-H8 4.962 8.114 G20H2'-G21H1' 4.960 6.041 G20H2'-G21H8 4.965 7.993 G20H3'-H1' 4.716 5.836 G20H3'-H8 4.716 8.114 G20H3'-G21H8 4.717 7.993 G20H4'-H1' 4.608 5.836 G20H4'-H8 4.607 8.115 G20H5"-H1' 4.272 5.836 G20H5"-H8 4.271 8.115 G20H5'-H1' 4.287 5.837 G20H5'-H8 4.287 8.115 G20H8-H8 8.112 8.113 G21H1'-G1H8 6.042 8.130 G21H1'-H1' 6.040 6.041 G21H1'-H8 6.041 7.997 G21H1'-G22H8 6.040 7.834 G21H2'-H1' 4.511 6.041 G21H2'-H8 4.513 7.992 G21H2'-G22H1' 4.510 6.130 G21H2'-G22H8 4.511 7.833 G21H3'-H8 4.809 7.993 G21H3'-G22H8 4.807 7.833 G21H4'-H8 4.636 7.994 G21H5"-H8 4.459 7.995 G21H5'-H8 4.560 7.994 G21H8-G20H8 7.988 8.113 G21H8-H8 7.990 7.993 G22H1'-H1' 6.130 6.129 G22H1'-H8 6.129 7.834 G22H2'-H1' 4.227 6.129 G22H2'-H8 4.227 7.833 G22H3'-H1' 4.488 6.130 G22H3'-H8 4.493 7.833 G22H4'-H1' 4.388 6.129 G22H4'-H8 4.392 7.834 G22H5"-H1' 4.156 6.130 G22H5"-H8 4.155 7.833 G22H5'-H1' 4.666 6.129 G22H5'-H8 4.667 7.834 G22H8-G21H8 7.833 7.993 G22H8-H8 7.833 7.834 ; 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 . . 8620.689 Hz . . . 6301.26 . . 34677 1 2 . . H 1 H . . 8620.691 Hz . . . 6301.26 . . 34677 1 stop_ save_