######################### # 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 31140 _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-15N HSQC' _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 ; # Number of dimensions 2 #INAME 1 H #INAME 2 N 1 106.632 7.712 1 T 3.212e+07 0.00e+00 a 0 0 0 0 2 107.362 8.169 1 T 4.457e+07 0.00e+00 a 0 0 0 0 3 107.758 8.283 1 T 4.042e+07 0.00e+00 a 0 0 0 0 4 109.554 8.287 1 T 5.989e+07 0.00e+00 a 0 0 0 0 5 110.832 8.953 1 T 2.392e+07 0.00e+00 a 0 0 0 0 6 114.424 9.169 1 T 4.979e+07 0.00e+00 a 0 0 0 0 7 110.071 7.545 1 T 3.693e+07 0.00e+00 a 0 0 0 0 8 110.010 7.396 1 T 6.611e+07 0.00e+00 a 0 0 0 0 9 112.537 6.639 1 T 6.711e+07 0.00e+00 a 0 0 0 0 10 115.154 6.635 1 T 4.722e+07 0.00e+00 a 0 0 0 0 11 114.667 7.183 1 T 5.999e+07 0.00e+00 a 0 0 0 0 12 117.681 7.202 1 T 7.780e+07 0.00e+00 a 0 0 0 0 13 120.085 7.058 1 T 5.537e+07 0.00e+00 a 0 0 0 0 14 121.090 6.955 1 T 5.245e+07 0.00e+00 a 0 0 0 0 15 124.407 7.183 1 T 2.618e+07 0.00e+00 a 0 0 0 0 16 124.377 7.001 1 T 5.187e+07 0.00e+00 a 0 0 0 0 17 112.893 6.841 1 T 1.498e+08 0.00e+00 a 0 0 0 0 18 120.295 7.483 1 T 6.126e+07 0.00e+00 a 0 0 0 0 19 121.659 7.464 1 T 5.284e+07 0.00e+00 a 0 0 0 0 20 123.704 7.833 1 T 3.413e+07 0.00e+00 a 0 0 0 0 21 125.677 7.866 1 T 3.514e+07 0.00e+00 a 0 0 0 0 23 129.573 7.732 1 T 3.705e+07 0.00e+00 a 0 0 0 0 24 128.647 8.018 1 T 4.188e+07 0.00e+00 a 0 0 0 0 25 132.799 9.669 1 T 3.545e+07 0.00e+00 a 0 0 0 0 26 109.290 8.976 1 T 9.930e+06 0.00e+00 a 0 0 0 0 27 118.497 9.651 1 T 3.510e+07 0.00e+00 a 0 0 0 0 28 117.387 9.208 1 T 2.979e+07 0.00e+00 a 0 0 0 0 29 117.207 9.096 1 T 3.576e+07 0.00e+00 a 0 0 0 0 30 121.586 9.238 1 T 4.269e+07 0.00e+00 a 0 0 0 0 31 122.246 9.171 1 T 2.350e+07 0.00e+00 a 0 0 0 0 32 113.990 8.381 1 T 4.935e+07 0.00e+00 a 0 0 0 0 33 113.683 8.242 1 T 4.838e+07 0.00e+00 a 0 0 0 0 34 114.029 7.933 1 T 7.000e+07 0.00e+00 a 0 0 0 0 35 115.526 7.818 1 T 7.072e+07 0.00e+00 a 0 0 0 0 36 116.370 7.722 1 T 8.772e+07 0.00e+00 a 0 0 0 0 37 115.545 7.981 1 T 5.409e+07 0.00e+00 a 0 0 0 0 38 116.274 7.988 1 T 9.692e+07 0.00e+00 a 0 0 0 0 39 116.946 8.019 1 T 3.929e+07 0.00e+00 a 0 0 0 0 40 116.236 8.118 1 T 5.819e+07 0.00e+00 a 0 0 0 0 41 114.605 8.204 1 T 2.390e+07 0.00e+00 a 0 0 0 0 42 115.200 8.221 1 T 4.439e+07 0.00e+00 a 0 0 0 0 43 115.027 8.369 1 T 2.620e+07 0.00e+00 a 0 0 0 0 44 115.430 8.439 1 T 4.029e+07 0.00e+00 a 0 0 0 0 45 115.737 8.681 1 T 4.728e+07 0.00e+00 a 0 0 0 0 46 116.889 8.660 1 T 6.841e+07 0.00e+00 a 0 0 0 0 48 117.541 8.571 1 T 3.098e+07 0.00e+00 a 0 0 0 0 49 117.100 8.480 1 T 5.942e+07 0.00e+00 a 0 0 0 0 50 117.004 8.312 1 T 4.971e+07 0.00e+00 a 0 0 0 0 51 118.962 8.525 1 T 5.889e+07 0.00e+00 a 0 0 0 0 52 120.113 8.585 1 T 5.736e+07 0.00e+00 a 0 0 0 0 53 120.286 8.614 1 T 8.717e+07 0.00e+00 a 0 0 0 0 54 120.382 8.626 1 T 5.717e+07 0.00e+00 a 0 0 0 0 55 121.802 8.559 1 T 6.460e+07 0.00e+00 a 0 0 0 0 56 122.455 8.427 1 T 1.623e+08 0.00e+00 a 0 0 0 0 57 122.033 8.266 1 T 4.414e+07 0.00e+00 a 0 0 0 0 59 122.849 8.242 1 T 7.489e+07 0.00e+00 a 0 0 0 0 60 123.193 8.192 1 T 1.273e+08 0.00e+00 a 0 0 0 0 61 122.994 8.141 1 T 9.809e+07 0.00e+00 a 0 0 0 0 62 122.813 8.072 1 T 1.317e+08 0.00e+00 a 0 0 0 0 63 123.560 8.050 1 T 6.878e+07 0.00e+00 a 0 0 0 0 66 124.534 8.306 1 T 4.475e+07 0.00e+00 a 0 0 0 0 67 124.950 8.272 1 T 3.926e+07 0.00e+00 a 0 0 0 0 68 125.077 8.408 1 T 6.253e+07 0.00e+00 a 0 0 0 0 69 125.820 8.297 1 T 3.606e+07 0.00e+00 a 0 0 0 0 70 127.224 8.584 1 T 5.072e+07 0.00e+00 a 0 0 0 0 71 123.229 8.384 1 T 6.214e+07 0.00e+00 a 0 0 0 0 72 123.402 8.415 1 T 7.295e+07 0.00e+00 a 0 0 0 0 73 124.099 8.606 1 T 3.220e+07 0.00e+00 a 0 0 0 0 74 124.298 8.543 1 T 1.024e+08 0.00e+00 a 0 0 0 0 75 122.478 8.643 1 T 7.509e+07 0.00e+00 a 0 0 0 0 76 123.175 8.731 1 T 6.013e+07 0.00e+00 a 0 0 0 0 77 123.546 8.701 1 T 6.168e+07 0.00e+00 a 0 0 0 0 78 124.189 8.785 1 T 6.995e+07 0.00e+00 a 0 0 0 0 79 124.389 8.871 1 T 6.450e+07 0.00e+00 a 0 0 0 0 80 123.030 8.904 1 T 6.063e+07 0.00e+00 a 0 0 0 0 81 123.429 8.924 1 T 6.047e+07 0.00e+00 a 0 0 0 0 82 121.409 9.031 1 T 1.808e+07 0.00e+00 a 0 0 0 0 83 121.391 8.724 1 T 3.501e+07 0.00e+00 a 0 0 0 0 84 125.901 9.102 1 T 5.006e+07 0.00e+00 a 0 0 0 0 85 119.226 8.974 1 T 5.988e+07 0.00e+00 a 0 0 0 0 86 119.408 8.873 1 T 4.331e+07 0.00e+00 a 0 0 0 0 87 120.295 8.868 1 T 4.735e+07 0.00e+00 a 0 0 0 0 88 118.130 8.662 1 T 2.649e+07 0.00e+00 a 0 0 0 0 89 127.896 9.993 1 T 7.046e+07 0.00e+00 a 0 0 0 0 90 129.676 10.260 1 T 2.050e+07 0.00e+00 a 0 0 0 0 91 118.419 8.306 1 T 3.879e+07 0.00e+00 a 0 0 0 0 92 118.885 8.252 1 T 8.322e+07 0.00e+00 a 0 0 0 0 93 119.122 8.219 1 T 1.128e+08 0.00e+00 a 0 0 0 0 94 119.555 8.220 1 T 1.320e+08 0.00e+00 a 0 0 0 0 95 119.808 8.193 1 T 8.004e+07 0.00e+00 a 0 0 0 0 97 119.383 7.966 1 T 6.287e+07 0.00e+00 a 0 0 0 0 98 119.742 7.912 1 T 5.565e+07 0.00e+00 a 0 0 0 0 99 118.517 7.868 1 T 4.413e+07 0.00e+00 a 0 0 0 0 100 117.480 7.713 1 T 4.790e+07 0.00e+00 a 0 0 0 0 101 118.084 7.696 1 T 1.061e+08 0.00e+00 a 0 0 0 0 102 118.011 7.657 1 T 8.939e+07 0.00e+00 a 0 0 0 0 103 117.570 7.607 1 T 3.128e+07 0.00e+00 a 0 0 0 0 104 118.689 7.588 1 T 5.079e+07 0.00e+00 a 0 0 0 0 105 119.301 7.621 1 T 5.194e+07 0.00e+00 a 0 0 0 0 106 120.984 7.766 1 T 3.804e+07 0.00e+00 a 0 0 0 0 107 120.428 7.798 1 T 2.779e+08 0.00e+00 a 0 0 0 0 108 120.379 7.703 1 T 1.369e+08 0.00e+00 a 0 0 0 0 109 120.559 7.701 1 T 1.266e+08 0.00e+00 a 0 0 0 0 110 121.172 7.938 1 T 6.594e+07 0.00e+00 a 0 0 0 0 111 119.089 7.779 1 T 8.992e+07 0.00e+00 a 0 0 0 0 112 119.653 8.360 1 T 5.633e+07 0.00e+00 a 0 0 0 0 113 119.857 8.309 1 T 6.824e+07 0.00e+00 a 0 0 0 0 115 120.477 8.255 1 T 9.339e+07 0.00e+00 a 0 0 0 0 116 120.747 8.191 1 T 7.853e+07 0.00e+00 a 0 0 0 0 117 120.575 8.143 1 T 1.436e+08 0.00e+00 a 0 0 0 0 118 120.428 8.140 1 T 1.082e+08 0.00e+00 a 0 0 0 0 119 120.755 8.086 1 T 1.243e+08 0.00e+00 a 0 0 0 0 120 121.245 8.071 1 T 1.378e+08 0.00e+00 a 0 0 0 0 122 120.812 8.008 1 T 1.203e+08 0.00e+00 a 0 0 0 0 123 119.955 8.028 1 T 2.443e+08 0.00e+00 a 0 0 0 0 124 119.383 8.052 1 T 1.834e+08 0.00e+00 a 0 0 0 0 127 117.245 8.810 1 T 6.090e+07 0.00e+00 a 0 0 0 0 128 113.913 8.778 1 T 7.154e+06 0.00e+00 a 0 0 0 0 129 126.935 9.078 1 T 8.313e+06 0.00e+00 a 0 0 0 0 131 120.306 8.258 1 T 7.662e+07 0.00e+00 a 0 0 0 0 133 113.962 8.026 1 T 7.311e+06 0.00e+00 a 0 0 0 0 134 128.411 8.972 1 T 1.258e+05 0.00e+00 a 0 0 0 0 135 125.350 9.480 1 T 3.050e+05 0.00e+00 a 0 0 0 0 136 127.663 7.833 1 T 4.337e+05 0.00e+00 a 0 0 0 0 139 109.760 7.222 1 T 1.079e+07 0.00e+00 a 0 0 0 0 140 109.689 6.485 1 T 8.233e+06 0.00e+00 a 0 0 0 0 141 116.236 6.796 1 T 4.326e+07 0.00e+00 a 0 0 0 0 142 116.236 8.079 1 T 5.439e+07 0.00e+00 a 0 0 0 0 143 117.179 6.681 1 T 1.655e+07 0.00e+00 a 0 0 0 0 144 117.202 7.580 1 T 1.833e+07 0.00e+00 a 0 0 0 0 145 114.205 6.855 1 T 9.498e+07 0.00e+00 a 0 0 0 0 146 114.183 8.571 1 T 9.160e+07 0.00e+00 a 0 0 0 0 147 111.518 7.204 1 T 2.410e+07 0.00e+00 a 0 0 0 0 148 111.536 7.613 1 T 5.213e+07 0.00e+00 a 0 0 0 0 150 111.464 6.728 1 T 8.141e+07 0.00e+00 a 0 0 0 0 151 111.518 7.541 1 T 7.135e+07 0.00e+00 a 0 0 0 0 153 111.970 6.702 1 T 1.398e+08 0.00e+00 a 0 0 0 0 154 111.970 7.481 1 T 1.470e+08 0.00e+00 a 0 0 0 0 155 112.085 6.820 1 T 1.627e+08 0.00e+00 a 0 0 0 0 156 112.115 7.709 1 T 1.635e+08 0.00e+00 a 0 0 0 0 161 113.016 6.948 1 T 2.443e+08 0.00e+00 a 0 0 0 0 162 112.986 7.574 1 T 1.676e+08 0.00e+00 a 0 0 0 0 163 106.768 6.521 1 T 1.852e+07 0.00e+00 a 0 0 0 0 164 106.719 7.099 1 T 1.888e+07 0.00e+00 a 0 0 0 0 166 122.235 8.424 1 T 1.089e+08 0.00e+00 a 0 0 0 0 168 118.979 8.151 1 T 5.032e+07 0.00e+00 a 0 0 0 0 169 113.045 7.786 1 T 8.130e+07 0.00e+00 a 0 0 0 0 170 113.045 7.032 1 T 9.681e+07 0.00e+00 a 0 0 0 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 HN . 'not observed' 10504.202 Hz . . . 4.773 . . 31140 1 2 . . N 15 N . folded 2270.663 Hz . . . 120.078 . . 31140 1 stop_ save_