######################### # 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 30337 _Spectral_peak_list.ID 1 _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 2 _Spectral_peak_list.Experiment_name '2D 1H-1H ROESY' _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 ; # Number of dimensions 2 # INAME 1 H # INAME 2 H # CYANAFORMAT HH 1 7.699 7.240 1 T -6.423e+05 0.00e+00 a 0 - - 2 8.002 7.915 1 T -1.171e+06 0.00e+00 a 0 - - 3 8.477 7.916 1 T -5.070e+05 0.00e+00 a 0 - - 4 7.701 3.721 1 T -5.502e+05 0.00e+00 a 0 - - 5 8.209 0.953 1 T -8.150e+05 0.00e+00 a 0 - - 7 3.165 2.995 1 T -6.619e+06 0.00e+00 a 0 - - 8 8.478 7.696 1 T -4.022e+05 0.00e+00 a 0 - - 9 8.464 7.254 1 T -3.577e+05 0.00e+00 a 0 - - 10 8.207 7.255 1 T -3.465e+05 0.00e+00 a 0 - - 11 7.384 7.240 1 T -9.635e+06 0.00e+00 a 0 - - 12 7.428 7.240 1 T -1.741e+06 0.00e+00 a 0 - - 13 7.339 7.240 1 T -3.554e+06 0.00e+00 a 0 - - 14 7.255 7.196 1 T 6.632e+06 0.00e+00 a 0 - - 15 7.255 7.105 1 T 3.810e+05 0.00e+00 a 0 - - 16 7.246 7.153 1 T 1.291e+05 0.00e+00 a 0 - - 17 8.210 7.934 1 T -6.404e+05 0.00e+00 a 0 - - 18 8.463 8.209 1 T -4.959e+05 0.00e+00 a 0 - - 19 8.463 4.603 1 T -1.569e+06 0.00e+00 a 0 - - 20 8.478 4.679 1 T -1.833e+06 0.00e+00 a 0 - - 21 8.463 4.508 1 T -6.626e+05 0.00e+00 a 0 - - 22 8.478 4.386 1 T -2.755e+06 0.00e+00 a 0 - - 23 8.478 4.195 1 T -1.203e+06 0.00e+00 a 0 - - 24 8.478 3.721 1 T -2.166e+06 0.00e+00 a 0 - - 25 8.463 3.205 1 T -8.600e+05 0.00e+00 a 0 - - 26 8.463 3.149 1 T -6.675e+05 0.00e+00 a 0 - - 27 8.209 3.147 1 T -7.637e+05 0.00e+00 a 0 - - 28 7.701 3.001 1 T -7.709e+05 0.00e+00 a 0 - - 29 7.701 3.142 1 T -4.368e+05 0.00e+00 a 0 - - 30 8.211 2.115 1 T -1.858e+06 0.00e+00 a 0 - - 31 7.934 2.119 1 T -4.178e+05 0.00e+00 a 0 - - 32 7.919 1.127 1 T -1.028e+06 0.00e+00 a 0 - - 33 8.211 0.999 1 T -2.142e+06 0.00e+00 a 0 - - 34 7.256 0.999 1 T -5.552e+05 0.00e+00 a 0 - - 35 7.240 2.581 1 T -6.108e+05 0.00e+00 a 0 - - 36 7.240 3.000 1 T -3.076e+06 0.00e+00 a 0 - - 37 7.246 3.142 1 T -4.506e+06 0.00e+00 a 0 - - 38 7.256 3.205 1 T -2.510e+06 0.00e+00 a 0 - - 39 7.254 3.142 1 T -3.834e+06 0.00e+00 a 0 - - 40 7.240 3.721 1 T -4.784e+05 0.00e+00 a 0 - - 41 7.934 3.829 1 T -1.221e+06 0.00e+00 a 0 - - 42 7.934 3.786 1 T -1.221e+06 0.00e+00 a 0 - - 43 8.001 3.781 1 T -4.439e+05 0.00e+00 a 0 - - 44 8.001 3.924 1 T -2.154e+06 0.00e+00 a 0 - - 45 8.001 4.018 1 T -7.802e+05 0.00e+00 a 0 - - 46 8.001 4.071 1 T -5.782e+05 0.00e+00 a 0 - - 47 7.924 3.929 1 T -3.941e+05 0.00e+00 a 0 - - 48 7.924 4.027 1 T -6.236e+05 0.00e+00 a 0 - - 49 7.701 4.198 1 T -8.456e+05 0.00e+00 a 0 - - 50 7.935 4.071 1 T -4.684e+05 0.00e+00 a 0 - - 51 7.924 4.389 1 T -4.802e+05 0.00e+00 a 0 - - 52 7.924 4.513 1 T -5.291e+05 0.00e+00 a 0 - - 53 7.701 4.596 1 T -5.365e+05 0.00e+00 a 0 - - 54 7.924 4.613 1 T -8.133e+05 0.00e+00 a 0 - - 55 7.925 4.669 1 T -1.777e+06 0.00e+00 a 0 - - 56 7.909 4.693 1 T -1.200e+06 0.00e+00 a 0 - - 57 7.625 4.596 1 T -1.130e+06 0.00e+00 a 0 - - 58 7.241 4.596 1 T -1.990e+06 0.00e+00 a 0 - - 59 7.257 4.505 1 T -2.167e+06 0.00e+00 a 0 - - 60 7.908 4.976 1 T -4.709e+05 0.00e+00 a 0 - - 61 7.934 0.951 1 T -2.802e+05 0.00e+00 a 0 - - 63 8.211 3.206 1 T -2.940e+05 0.00e+00 a 0 - - 64 7.356 3.149 1 T -3.489e+05 0.00e+00 a 0 - - 65 7.240 4.382 1 T -3.086e+05 0.00e+00 a 0 - - 66 7.408 3.143 1 T -2.348e+05 0.00e+00 a 0 - - 67 8.210 3.836 1 T -1.128e+06 0.00e+00 a 0 - - 68 8.210 4.507 1 T -9.087e+05 0.00e+00 a 0 - - 69 7.700 4.387 1 T -3.285e+05 0.00e+00 a 0 - - 70 8.470 7.626 1 T -2.907e+05 0.00e+00 a 0 - - 72 3.834 1.000 1 T -2.273e+06 0.00e+00 a 0 - - 73 3.833 0.956 1 T -2.220e+06 0.00e+00 a 0 - - 74 4.404 1.127 1 T -7.376e+05 0.00e+00 a 0 - - 75 4.369 1.131 1 T -9.511e+05 0.00e+00 a 0 - - 76 3.833 2.118 1 T -2.187e+06 0.00e+00 a 0 - - 77 4.192 3.722 1 T -4.331e+06 0.00e+00 a 0 - - 78 4.061 3.778 1 T -7.356e+06 0.00e+00 a 0 - - 79 4.046 3.913 1 T -3.627e+06 0.00e+00 a 0 - - 80 4.005 3.901 1 T -2.301e+06 0.00e+00 a 0 - - 81 3.779 0.955 1 T -2.798e+05 0.00e+00 a 0 - - 82 2.114 0.950 1 T -2.303e+06 0.00e+00 a 0 - - 83 2.114 0.997 1 T -2.066e+06 0.00e+00 a 0 - - 84 1.019 0.955 1 T -1.258e+06 0.00e+00 a 0 - - 85 2.218 0.482 1 T -3.666e+05 0.00e+00 a 0 - - 86 0.009 -0.035 1 T 1.700e+05 0.00e+00 a 0 - - 87 -0.002 -0.083 1 T -5.569e+05 0.00e+00 a 0 - - 88 -0.009 -0.058 1 T 2.158e+04 0.00e+00 a 0 - - 89 0.972 0.506 1 T -3.032e+05 0.00e+00 a 0 - - 90 0.972 0.583 1 T -2.934e+05 0.00e+00 a 0 - - 91 4.388 1.129 1 T -3.667e+04 0.00e+00 a 0 - - 92 1.013 2.115 1 T -3.559e+06 0.00e+00 a 0 - - 93 7.254 0.952 1 T -3.840e+05 0.00e+00 a 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 . . 12 ppm . . . 4.697 . . 30337 1 2 . . H 1 H . . 12 ppm . . . 4.697 . . 30337 1 stop_ save_