######################### # 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 30726 _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 2 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 3 #FORMAT xeasy3D #INAME 1 HN #INAME 2 H #INAME 3 N #SPECTRUM N15NOESY HN H N 1 8.364 8.185 122.488 0 U 1.319000E+04 0.000000E+00 - 0 0 0 0 2 8.185 8.364 120.267 0 U 2.252000E+04 0.000000E+00 - 0 0 0 0 3 8.428 8.250 123.129 0 U 7.255000E+03 0.000000E+00 - 0 0 0 0 4 8.250 8.428 122.019 0 U 1.609000E+04 0.000000E+00 - 0 0 0 0 5 8.585 4.413 119.943 0 U 8.280000E+03 0.000000E+00 - 0 0 0 0 6 8.270 1.834 121.711 0 U 7.686000E+04 0.000000E+00 - 0 0 0 0 7 8.270 2.144 121.711 0 U 2.191000E+04 0.000000E+00 - 0 0 0 0 8 8.270 4.067 121.711 0 U 1.172000E+05 0.000000E+00 - 0 0 0 0 9 8.270 8.270 121.711 0 U 9.034000E+05 0.000000E+00 - 0 0 0 0 13 8.250 1.217 126.590 0 U 7.573000E+04 0.000000E+00 - 0 0 0 0 14 8.250 4.163 126.590 0 U 1.065000E+05 0.000000E+00 - 0 0 0 0 15 8.250 1.630 126.590 0 U 2.154000E+04 0.000000E+00 - 0 0 0 0 16 8.250 8.250 126.590 0 U 8.112000E+05 0.000000E+00 - 0 0 0 0 17 8.250 4.413 126.590 0 U 2.364000E+04 0.000000E+00 - 0 0 0 0 18 8.296 1.245 125.374 0 U 4.233000E+04 0.000000E+00 - 0 0 0 0 19 8.296 1.785 125.374 0 U 8.614000E+03 0.000000E+00 - 0 0 0 0 20 8.296 1.893 125.374 0 U 1.191000E+04 0.000000E+00 - 0 0 0 0 21 8.296 4.080 125.374 0 U 9.635000E+04 0.000000E+00 - 0 0 0 0 22 8.296 8.296 125.374 0 U 1.524000E+06 0.000000E+00 - 0 0 0 0 23 8.296 4.171 125.374 0 U 2.465000E+04 0.000000E+00 - 0 0 0 0 24 8.163 4.124 124.853 0 U 1.061000E+05 0.000000E+00 - 0 0 0 0 25 8.163 4.130 124.853 0 U 1.061000E+05 0.000000E+00 - 0 0 0 0 26 8.163 1.236 124.853 0 U 4.999000E+04 0.000000E+00 - 0 0 0 0 27 8.163 1.886 124.853 0 U 6.408000E+03 0.000000E+00 - 0 0 0 0 28 8.163 1.462 124.853 0 U 1.005000E+04 0.000000E+00 - 0 0 0 0 29 8.163 1.621 124.853 0 U 1.370000E+04 0.000000E+00 - 0 0 0 0 30 8.163 8.163 124.853 0 U 9.435000E+05 0.000000E+00 - 0 0 0 0 31 8.492 2.996 122.922 0 U 1.280000E+04 0.000000E+00 - 0 0 0 0 32 8.492 3.856 122.922 0 U 6.435000E+03 0.000000E+00 - 0 0 0 0 33 8.492 2.109 122.922 0 U 1.232000E+04 0.000000E+00 - 0 0 0 0 34 8.492 1.621 122.922 0 U 3.951000E+04 0.000000E+00 - 0 0 0 0 35 8.492 8.492 122.922 0 U 5.133000E+05 0.000000E+00 - 0 0 0 0 36 8.492 1.723 122.922 0 U 2.538000E+04 0.000000E+00 - 0 0 0 0 37 8.492 1.509 122.922 0 U 2.685000E+04 0.000000E+00 - 0 0 0 0 38 8.492 3.037 122.922 0 U 1.075000E+04 0.000000E+00 - 0 0 0 0 39 8.492 4.171 122.922 0 U 8.472000E+04 0.000000E+00 - 0 0 0 0 40 8.492 4.186 122.922 0 U 8.472000E+04 0.000000E+00 - 0 0 0 0 41 8.428 1.564 123.129 0 U 5.117000E+04 0.000000E+00 - 0 0 0 0 42 8.428 4.154 123.129 0 U 1.169000E+05 0.000000E+00 - 0 0 0 0 43 8.428 1.891 123.129 0 U 1.807000E+04 0.000000E+00 - 0 0 0 0 44 8.428 2.170 123.129 0 U 1.279000E+04 0.000000E+00 - 0 0 0 0 45 8.428 8.428 123.129 0 U 6.984000E+05 0.000000E+00 - 0 0 0 0 46 8.428 8.240 123.129 0 U 1.637000E+04 0.000000E+00 - 0 0 0 0 47 8.428 8.245 123.129 0 U 7.255000E+03 0.000000E+00 - 0 0 0 0 48 8.428 8.185 123.129 0 U 1.923000E+03 0.000000E+00 - 0 0 0 0 49 8.428 3.037 123.129 0 U 9.639000E+02 0.000000E+00 - 0 0 0 0 50 8.428 1.658 123.129 0 U 3.735000E+04 0.000000E+00 - 0 0 0 0 51 8.428 1.481 123.129 0 U 3.508000E+04 0.000000E+00 - 0 0 0 0 52 8.428 1.704 123.129 0 U 3.735000E+04 0.000000E+00 - 0 0 0 0 53 8.428 4.186 123.129 0 U 1.305000E+05 0.000000E+00 - 0 0 0 0 54 8.258 2.160 122.937 0 U 1.681000E+04 0.000000E+00 - 0 0 0 0 55 8.258 4.407 122.937 0 U 2.315000E+04 0.000000E+00 - 0 0 0 0 56 8.258 1.727 122.937 0 U 5.191000E+04 0.000000E+00 - 0 0 0 0 57 8.258 1.898 122.937 0 U 2.739000E+04 0.000000E+00 - 0 0 0 0 58 8.258 8.258 122.937 0 U 1.079000E+06 0.000000E+00 - 0 0 0 0 60 8.240 4.163 122.805 0 U 1.162000E+05 0.000000E+00 - 0 0 0 0 61 8.240 1.630 122.805 0 U 4.779000E+04 0.000000E+00 - 0 0 0 0 62 8.240 8.428 122.805 0 U 5.996000E+03 0.000000E+00 - 0 0 0 0 63 8.240 8.240 122.805 0 U 1.105000E+06 0.000000E+00 - 0 0 0 0 64 8.240 1.704 122.805 0 U 4.361000E+04 0.000000E+00 - 0 0 0 0 65 8.240 1.540 122.805 0 U 2.286000E+04 0.000000E+00 - 0 0 0 0 66 8.240 1.281 122.805 0 U 1.838000E+04 0.000000E+00 - 0 0 0 0 68 8.240 4.186 122.805 0 U 1.162000E+05 0.000000E+00 - 0 0 0 0 70 8.364 4.134 122.488 0 U 2.883000E+04 0.000000E+00 - 0 0 0 0 71 8.364 3.910 122.488 0 U 1.034000E+05 0.000000E+00 - 0 0 0 0 72 8.364 1.462 122.488 0 U 4.073000E+04 0.000000E+00 - 0 0 0 0 73 8.364 1.644 122.488 0 U 6.889000E+04 0.000000E+00 - 0 0 0 0 74 8.364 8.364 122.488 0 U 6.111000E+05 0.000000E+00 - 0 0 0 0 75 8.364 8.098 122.488 0 U 1.041000E+04 0.000000E+00 - 0 0 0 0 76 8.270 4.197 121.468 0 U 1.452000E+04 0.000000E+00 - 0 0 0 0 77 8.270 1.833 121.468 0 U 1.456000E+05 0.000000E+00 - 0 0 0 0 78 8.270 2.143 121.468 0 U 4.913000E+04 0.000000E+00 - 0 0 0 0 79 8.270 4.072 121.468 0 U 2.142000E+05 0.000000E+00 - 0 0 0 0 80 8.270 1.918 121.468 0 U 1.045000E+05 0.000000E+00 - 0 0 0 0 81 8.270 8.270 121.468 0 U 1.718000E+06 0.000000E+00 - 0 0 0 0 82 8.297 1.754 122.324 0 U 3.234000E+04 0.000000E+00 - 0 0 0 0 83 8.297 1.924 122.324 0 U 1.412000E+04 0.000000E+00 - 0 0 0 0 84 8.297 4.179 122.324 0 U 2.998000E+04 0.000000E+00 - 0 0 0 0 85 8.297 3.730 122.324 0 U 1.431000E+04 0.000000E+00 - 0 0 0 0 86 8.297 2.102 122.324 0 U 2.285000E+04 0.000000E+00 - 0 0 0 0 87 8.297 4.292 122.324 0 U 9.195000E+04 0.000000E+00 - 0 0 0 0 88 8.297 8.297 122.324 0 U 1.354000E+06 0.000000E+00 - 0 0 0 0 89 8.118 3.087 123.310 0 U 2.001000E+04 0.000000E+00 - 0 0 0 0 90 8.118 4.552 123.310 0 U 6.555000E+04 0.000000E+00 - 0 0 0 0 91 8.118 1.680 123.310 0 U 3.620000E+04 0.000000E+00 - 0 0 0 0 92 8.118 1.794 123.310 0 U 1.991000E+04 0.000000E+00 - 0 0 0 0 93 8.118 2.062 123.310 0 U 1.519000E+04 0.000000E+00 - 0 0 0 0 94 8.118 8.118 123.310 0 U 9.478000E+05 0.000000E+00 - 0 0 0 0 95 8.118 4.065 123.310 0 U 2.292000E+04 0.000000E+00 - 0 0 0 0 96 8.037 2.135 122.281 0 U 6.189000E+03 0.000000E+00 - 0 0 0 0 97 8.037 1.841 122.281 0 U 1.437000E+04 0.000000E+00 - 0 0 0 0 98 8.037 1.886 122.281 0 U 1.465000E+04 0.000000E+00 - 0 0 0 0 99 8.037 4.080 122.281 0 U 8.338000E+04 0.000000E+00 - 0 0 0 0 100 8.037 8.037 122.281 0 U 8.628000E+05 0.000000E+00 - 0 0 0 0 101 8.037 8.236 122.281 0 U 2.987000E+04 0.000000E+00 - 0 0 0 0 102 8.037 8.250 122.281 0 U 3.509000E+04 0.000000E+00 - 0 0 0 0 103 8.037 8.305 122.281 0 U 2.167000E+04 0.000000E+00 - 0 0 0 0 104 8.037 0.736 122.281 0 U 7.991000E+03 0.000000E+00 - 0 0 0 0 105 8.037 1.462 122.281 0 U 7.265000E+04 0.000000E+00 - 0 0 0 0 106 8.037 4.171 122.281 0 U 3.415000E+04 0.000000E+00 - 0 0 0 0 107 8.098 1.564 122.402 0 U 4.677000E+04 0.000000E+00 - 0 0 0 0 108 8.098 1.565 122.402 0 U 4.677000E+04 0.000000E+00 - 0 0 0 0 109 8.098 3.910 122.402 0 U 2.601000E+04 0.000000E+00 - 0 0 0 0 110 8.098 1.644 122.402 0 U 3.809000E+04 0.000000E+00 - 0 0 0 0 111 8.098 1.509 122.402 0 U 4.013000E+04 0.000000E+00 - 0 0 0 0 112 8.098 1.416 122.402 0 U 1.987000E+04 0.000000E+00 - 0 0 0 0 113 8.098 3.037 122.402 0 U -9.560000E+02 0.000000E+00 - 0 0 0 0 114 8.098 8.364 122.402 0 U 1.280000E+04 0.000000E+00 - 0 0 0 0 115 8.098 8.098 122.402 0 U 6.685000E+05 0.000000E+00 - 0 0 0 0 116 8.098 4.065 122.402 0 U 9.768000E+04 0.000000E+00 - 0 0 0 0 117 8.147 1.834 121.861 0 U 1.731000E+04 0.000000E+00 - 0 0 0 0 118 8.147 4.067 121.861 0 U 9.096000E+04 0.000000E+00 - 0 0 0 0 119 8.147 4.124 121.861 0 U 6.030000E+04 0.000000E+00 - 0 0 0 0 120 8.147 2.135 121.861 0 U 1.188000E+04 0.000000E+00 - 0 0 0 0 121 8.147 1.886 121.861 0 U 1.284000E+04 0.000000E+00 - 0 0 0 0 122 8.147 1.462 121.861 0 U 2.443000E+04 0.000000E+00 - 0 0 0 0 123 8.147 1.621 121.861 0 U 3.311000E+04 0.000000E+00 - 0 0 0 0 124 8.147 1.704 121.861 0 U 2.597000E+04 0.000000E+00 - 0 0 0 0 125 8.147 3.027 121.861 0 U -6.650000E+02 0.000000E+00 - 0 0 0 0 126 8.147 8.147 121.861 0 U 6.361000E+05 0.000000E+00 - 0 0 0 0 127 8.250 1.564 122.019 0 U 2.765000E+04 0.000000E+00 - 0 0 0 0 128 8.250 1.833 122.019 0 U 1.350000E+04 0.000000E+00 - 0 0 0 0 129 8.250 4.099 122.019 0 U 7.164000E+04 0.000000E+00 - 0 0 0 0 130 8.250 1.462 122.019 0 U 2.639000E+04 0.000000E+00 - 0 0 0 0 131 8.250 1.630 122.019 0 U 3.375000E+04 0.000000E+00 - 0 0 0 0 132 8.250 1.723 122.019 0 U 1.513000E+04 0.000000E+00 - 0 0 0 0 133 8.250 3.027 122.019 0 U 5.260000E+03 0.000000E+00 - 0 0 0 0 134 8.250 8.250 122.019 0 U 5.094000E+05 0.000000E+00 - 0 0 0 0 135 8.250 4.186 122.019 0 U 3.734000E+04 0.000000E+00 - 0 0 0 0 136 8.259 4.081 121.391 0 U 1.888000E+05 0.000000E+00 - 0 0 0 0 137 8.259 1.826 121.391 0 U 1.181000E+05 0.000000E+00 - 0 0 0 0 138 8.259 2.118 121.391 0 U 5.202000E+04 0.000000E+00 - 0 0 0 0 139 8.259 8.259 121.391 0 U 1.498000E+06 0.000000E+00 - 0 0 0 0 140 8.259 4.065 121.391 0 U 1.888000E+05 0.000000E+00 - 0 0 0 0 141 8.376 4.134 121.989 0 U 8.134000E+04 0.000000E+00 - 0 0 0 0 142 8.376 4.154 121.989 0 U 8.134000E+04 0.000000E+00 - 0 0 0 0 143 8.376 1.792 121.989 0 U 2.933000E+04 0.000000E+00 - 0 0 0 0 144 8.376 1.891 121.989 0 U 1.348000E+04 0.000000E+00 - 0 0 0 0 145 8.376 2.170 121.989 0 U 1.532000E+04 0.000000E+00 - 0 0 0 0 146 8.376 1.462 121.989 0 U 1.676000E+04 0.000000E+00 - 0 0 0 0 147 8.376 1.621 121.989 0 U 1.400000E+04 0.000000E+00 - 0 0 0 0 148 8.376 8.376 121.989 0 U 4.906000E+05 0.000000E+00 - 0 0 0 0 149 8.376 1.658 121.989 0 U 1.375000E+04 0.000000E+00 - 0 0 0 0 150 8.440 4.179 121.780 0 U 7.509000E+04 0.000000E+00 - 0 0 0 0 151 8.440 1.838 121.780 0 U 6.657000E+04 0.000000E+00 - 0 0 0 0 152 8.440 2.113 121.780 0 U 3.045000E+04 0.000000E+00 - 0 0 0 0 153 8.440 8.440 121.780 0 U 1.021000E+06 0.000000E+00 - 0 0 0 0 154 8.440 8.198 121.780 0 U 4.821000E+04 0.000000E+00 - 0 0 0 0 155 8.440 4.080 121.780 0 U 4.124000E+04 0.000000E+00 - 0 0 0 0 156 8.431 1.785 121.105 0 U 3.838000E+04 0.000000E+00 - 0 0 0 0 157 8.431 1.893 121.105 0 U 2.742000E+04 0.000000E+00 - 0 0 0 0 158 8.431 2.166 121.105 0 U 1.850000E+04 0.000000E+00 - 0 0 0 0 159 8.431 4.080 121.105 0 U 3.901000E+04 0.000000E+00 - 0 0 0 0 160 8.431 8.431 121.105 0 U 1.221000E+06 0.000000E+00 - 0 0 0 0 161 8.431 8.198 121.105 0 U 2.618000E+04 0.000000E+00 - 0 0 0 0 162 8.431 4.262 121.105 0 U 1.003000E+05 0.000000E+00 - 0 0 0 0 163 8.347 4.077 121.241 0 U 8.325000E+04 0.000000E+00 - 0 0 0 0 164 8.347 4.081 121.241 0 U 8.325000E+04 0.000000E+00 - 0 0 0 0 165 8.347 2.148 121.241 0 U 3.884000E+04 0.000000E+00 - 0 0 0 0 166 8.347 2.703 121.241 0 U 9.550000E+03 0.000000E+00 - 0 0 0 0 167 8.347 1.810 121.241 0 U 5.872000E+04 0.000000E+00 - 0 0 0 0 168 8.347 1.946 121.241 0 U 3.419000E+04 0.000000E+00 - 0 0 0 0 169 8.347 8.347 121.241 0 U 1.236000E+06 0.000000E+00 - 0 0 0 0 170 8.236 4.197 120.699 0 U 3.736000E+04 0.000000E+00 - 0 0 0 0 171 8.236 1.831 120.699 0 U 5.165000E+04 0.000000E+00 - 0 0 0 0 172 8.236 1.990 120.699 0 U 2.207000E+04 0.000000E+00 - 0 0 0 0 173 8.236 2.200 120.699 0 U 2.671000E+04 0.000000E+00 - 0 0 0 0 174 8.236 2.602 120.699 0 U 7.056000E+03 0.000000E+00 - 0 0 0 0 175 8.236 2.703 120.699 0 U 8.563000E+03 0.000000E+00 - 0 0 0 0 176 8.236 8.037 120.699 0 U 2.521000E+04 0.000000E+00 - 0 0 0 0 177 8.236 8.236 120.699 0 U 1.411000E+06 0.000000E+00 - 0 0 0 0 178 8.236 4.065 120.699 0 U 3.102000E+04 0.000000E+00 - 0 0 0 0 179 8.245 1.564 120.899 0 U 7.073000E+03 0.000000E+00 - 0 0 0 0 180 8.245 1.891 120.899 0 U 4.560000E+04 0.000000E+00 - 0 0 0 0 181 8.245 4.099 120.899 0 U 9.152000E+04 0.000000E+00 - 0 0 0 0 182 8.245 1.805 120.899 0 U 5.236000E+04 0.000000E+00 - 0 0 0 0 183 8.245 1.921 120.899 0 U 4.560000E+04 0.000000E+00 - 0 0 0 0 184 8.245 2.174 120.899 0 U 2.378000E+04 0.000000E+00 - 0 0 0 0 185 8.245 4.156 120.899 0 U 7.846000E+04 0.000000E+00 - 0 0 0 0 186 8.245 8.428 120.899 0 U 2.108000E+04 0.000000E+00 - 0 0 0 0 187 8.245 8.245 120.899 0 U 6.629000E+05 0.000000E+00 - 0 0 0 0 188 8.250 4.077 120.795 0 U 8.292000E+04 0.000000E+00 - 0 0 0 0 189 8.250 1.960 120.795 0 U 3.618000E+04 0.000000E+00 - 0 0 0 0 190 8.250 1.810 120.795 0 U 5.825000E+04 0.000000E+00 - 0 0 0 0 191 8.250 2.173 120.795 0 U 3.941000E+04 0.000000E+00 - 0 0 0 0 192 8.250 4.565 120.795 0 U 3.804000E+04 0.000000E+00 - 0 0 0 0 193 8.250 8.250 120.795 0 U 9.665000E+05 0.000000E+00 - 0 0 0 0 194 8.198 3.800 120.397 0 U 6.087000E+04 0.000000E+00 - 0 0 0 0 195 8.198 2.112 120.397 0 U 1.801000E+04 0.000000E+00 - 0 0 0 0 196 8.198 1.946 120.397 0 U 2.386000E+04 0.000000E+00 - 0 0 0 0 197 8.198 1.795 120.397 0 U 4.078000E+04 0.000000E+00 - 0 0 0 0 198 8.198 4.171 120.397 0 U 2.716000E+04 0.000000E+00 - 0 0 0 0 199 8.198 8.440 120.397 0 U 1.305000E+04 0.000000E+00 - 0 0 0 0 200 8.198 8.431 120.397 0 U 1.305000E+04 0.000000E+00 - 0 0 0 0 201 8.198 8.198 120.397 0 U 1.314000E+06 0.000000E+00 - 0 0 0 0 202 8.198 8.362 120.397 0 U 2.346000E+04 0.000000E+00 - 0 0 0 0 203 8.185 3.747 120.267 0 U 4.339000E+04 0.000000E+00 - 0 0 0 0 204 8.185 3.856 120.267 0 U 4.931000E+04 0.000000E+00 - 0 0 0 0 205 8.185 2.109 120.267 0 U 2.833000E+04 0.000000E+00 - 0 0 0 0 206 8.185 1.780 120.267 0 U 4.696000E+04 0.000000E+00 - 0 0 0 0 207 8.185 1.962 120.267 0 U 1.988000E+04 0.000000E+00 - 0 0 0 0 208 8.185 4.156 120.267 0 U 3.723000E+04 0.000000E+00 - 0 0 0 0 209 8.185 8.428 120.267 0 U 2.518000E+04 0.000000E+00 - 0 0 0 0 210 8.185 8.185 120.267 0 U 1.539000E+06 0.000000E+00 - 0 0 0 0 211 8.185 8.539 120.267 0 U 1.447000E+04 0.000000E+00 - 0 0 0 0 212 8.233 2.165 120.191 0 U 1.751000E+04 0.000000E+00 - 0 0 0 0 213 8.233 2.703 120.191 0 U 8.254000E+03 0.000000E+00 - 0 0 0 0 214 8.233 1.841 120.191 0 U 3.517000E+04 0.000000E+00 - 0 0 0 0 215 8.233 1.977 120.191 0 U 1.738000E+04 0.000000E+00 - 0 0 0 0 216 8.233 4.141 120.191 0 U 2.919000E+04 0.000000E+00 - 0 0 0 0 217 8.233 4.535 120.191 0 U 1.072000E+04 0.000000E+00 - 0 0 0 0 218 8.233 8.233 120.191 0 U 9.027000E+05 0.000000E+00 - 0 0 0 0 219 8.585 1.889 119.943 0 U 2.212000E+04 0.000000E+00 - 0 0 0 0 220 8.585 2.143 119.943 0 U 2.336000E+04 0.000000E+00 - 0 0 0 0 221 8.585 1.795 119.943 0 U 4.500000E+04 0.000000E+00 - 0 0 0 0 222 8.585 4.065 119.943 0 U 2.312000E+04 0.000000E+00 - 0 0 0 0 223 8.585 8.585 119.943 0 U 6.876000E+05 0.000000E+00 - 0 0 0 0 224 8.585 8.210 119.943 0 U 2.122000E+04 0.000000E+00 - 0 0 0 0 226 8.250 2.135 119.357 0 U 1.987000E+04 0.000000E+00 - 0 0 0 0 227 8.250 4.130 119.357 0 U 1.002000E+05 0.000000E+00 - 0 0 0 0 228 8.250 1.236 119.357 0 U 2.421000E+04 0.000000E+00 - 0 0 0 0 229 8.250 1.886 119.357 0 U 2.372000E+04 0.000000E+00 - 0 0 0 0 230 8.250 1.780 119.357 0 U 3.876000E+04 0.000000E+00 - 0 0 0 0 231 8.250 4.080 119.357 0 U 9.708000E+04 0.000000E+00 - 0 0 0 0 232 8.250 8.037 119.357 0 U 2.974000E+04 0.000000E+00 - 0 0 0 0 233 8.250 8.250 119.357 0 U 7.580000E+05 0.000000E+00 - 0 0 0 0 234 8.305 1.831 119.118 0 U 5.162000E+03 0.000000E+00 - 0 0 0 0 235 8.305 2.165 119.118 0 U 9.579000E+03 0.000000E+00 - 0 0 0 0 236 8.305 2.602 119.118 0 U 2.811000E+04 0.000000E+00 - 0 0 0 0 237 8.305 2.118 119.118 0 U 9.547000E+03 0.000000E+00 - 0 0 0 0 238 8.305 2.703 119.118 0 U 1.862000E+04 0.000000E+00 - 0 0 0 0 239 8.305 4.535 119.118 0 U 2.213000E+04 0.000000E+00 - 0 0 0 0 240 8.305 8.037 119.118 0 U 1.328000E+04 0.000000E+00 - 0 0 0 0 241 8.305 8.305 119.118 0 U 6.080000E+05 0.000000E+00 - 0 0 0 0 242 8.305 0.736 119.118 0 U 7.822000E+03 0.000000E+00 - 0 0 0 0 243 8.305 1.462 119.118 0 U 1.604000E+04 0.000000E+00 - 0 0 0 0 244 8.305 4.171 119.118 0 U 6.516000E+04 0.000000E+00 - 0 0 0 0 245 8.378 4.429 118.032 0 U 1.067000E+04 0.000000E+00 - 0 0 0 0 246 8.378 8.378 118.032 0 U 6.455000E+05 0.000000E+00 - 0 0 0 0 247 8.378 8.141 118.032 0 U 1.372000E+04 0.000000E+00 - 0 0 0 0 248 8.378 3.763 118.032 0 U 9.051000E+03 0.000000E+00 - 0 0 0 0 249 8.362 3.744 116.797 0 U 1.619000E+04 0.000000E+00 - 0 0 0 0 250 8.362 4.171 116.797 0 U 3.537000E+04 0.000000E+00 - 0 0 0 0 251 8.362 4.353 116.797 0 U 5.535000E+03 0.000000E+00 - 0 0 0 0 252 8.362 8.198 116.797 0 U 7.330000E+03 0.000000E+00 - 0 0 0 0 253 8.362 8.362 116.797 0 U 7.622000E+05 0.000000E+00 - 0 0 0 0 254 8.210 1.889 117.894 0 U 2.060000E+04 0.000000E+00 - 0 0 0 0 255 8.210 2.662 117.894 0 U 2.535000E+04 0.000000E+00 - 0 0 0 0 256 8.210 2.754 117.894 0 U 1.692000E+04 0.000000E+00 - 0 0 0 0 257 8.210 2.109 117.894 0 U 1.347000E+04 0.000000E+00 - 0 0 0 0 258 8.210 1.795 117.894 0 U 2.126000E+04 0.000000E+00 - 0 0 0 0 259 8.210 4.065 117.894 0 U 6.092000E+04 0.000000E+00 - 0 0 0 0 260 8.210 4.565 117.894 0 U 2.734000E+04 0.000000E+00 - 0 0 0 0 261 8.210 8.585 117.894 0 U 1.771000E+04 0.000000E+00 - 0 0 0 0 262 8.210 8.210 117.894 0 U 7.350000E+05 0.000000E+00 - 0 0 0 0 263 8.248 2.165 116.695 0 U 8.402000E+03 0.000000E+00 - 0 0 0 0 264 8.248 3.730 116.695 0 U 3.655000E+04 0.000000E+00 - 0 0 0 0 265 8.248 1.977 116.695 0 U 1.254000E+04 0.000000E+00 - 0 0 0 0 266 8.248 4.141 116.695 0 U 2.055000E+04 0.000000E+00 - 0 0 0 0 267 8.248 4.292 116.695 0 U 3.672000E+04 0.000000E+00 - 0 0 0 0 268 8.248 8.248 116.695 0 U 7.437000E+05 0.000000E+00 - 0 0 0 0 269 8.141 1.075 114.868 0 U 1.147000E+03 0.000000E+00 - 0 0 0 0 270 8.141 4.164 114.868 0 U 8.600000E+03 0.000000E+00 - 0 0 0 0 271 8.141 4.429 114.868 0 U 2.306000E+04 0.000000E+00 - 0 0 0 0 272 8.141 4.292 114.868 0 U 2.682000E+03 0.000000E+00 - 0 0 0 0 273 8.141 8.378 114.868 0 U 3.171000E+03 0.000000E+00 - 0 0 0 0 274 8.141 8.141 114.868 0 U 7.551000E+05 0.000000E+00 - 0 0 0 0 275 8.539 3.747 110.866 0 U 5.359000E+04 0.000000E+00 - 0 0 0 0 276 8.539 3.856 110.866 0 U 6.019000E+04 0.000000E+00 - 0 0 0 0 277 8.539 8.185 110.866 0 U 1.938000E+04 0.000000E+00 - 0 0 0 0 278 8.539 8.539 110.866 0 U 7.124000E+05 0.000000E+00 - 0 0 0 0 279 8.539 1.723 110.866 0 U 1.991000E+04 0.000000E+00 - 0 0 0 0 280 8.539 1.509 110.866 0 U 1.482000E+04 0.000000E+00 - 0 0 0 0 281 8.539 4.171 110.866 0 U 9.820000E+04 0.000000E+00 - 0 0 0 0 282 8.266 1.075 110.981 0 U 1.125000E+04 0.000000E+00 - 0 0 0 0 283 8.266 4.292 110.981 0 U 1.625000E+04 0.000000E+00 - 0 0 0 0 284 8.266 3.869 110.981 0 U 1.429000E+04 0.000000E+00 - 0 0 0 0 285 8.266 8.266 110.981 0 U 8.648000E+05 0.000000E+00 - 0 0 0 0 287 8.012 3.899 109.356 0 U 4.632000E+03 0.000000E+00 - 0 0 0 0 288 8.012 3.869 109.356 0 U 8.203000E+03 0.000000E+00 - 0 0 0 0 289 8.012 8.012 109.356 0 U 1.380000E+06 0.000000E+00 - 0 0 0 0 290 8.247 3.800 108.005 0 U 5.539000E+04 0.000000E+00 - 0 0 0 0 291 8.247 8.247 108.005 0 U 8.088000E+05 0.000000E+00 - 0 0 0 0 292 8.247 4.171 108.005 0 U 4.773000E+04 0.000000E+00 - 0 0 0 0 99 8.150 8.116 123.238 1 U 2.105000E+03 0.000000E+00 e 0 0 0 0 100 8.150 1.611 123.238 1 U 4.019000E+00 0.000000E+00 e 0 0 0 0 101 8.150 8.386 123.238 1 U 4.086000E+02 0.000000E+00 e 0 0 0 0 102 8.150 1.644 123.238 1 U 4.698000E+02 0.000000E+00 e 0 0 0 0 103 8.150 8.386 123.238 1 U 3.029000E+02 0.000000E+00 e 0 0 0 0 104 8.116 8.386 122.426 1 U 1.056000E+03 0.000000E+00 e 0 0 0 0 105 8.386 8.436 122.454 1 U 2.014000E+01 0.000000E+00 e 0 0 0 0 106 8.436 8.436 121.882 1 U 1.166000E+02 0.000000E+00 e 0 0 0 0 107 8.436 8.505 121.882 1 U 5.291000E+01 0.000000E+00 e 0 0 0 0 108 8.436 8.505 123.140 1 U 1.216000E+02 0.000000E+00 e 0 0 0 0 109 8.505 8.532 122.856 1 U 3.281000E+03 0.000000E+00 e 0 0 0 0 110 8.505 8.195 122.856 1 U 7.478000E+01 0.000000E+00 e 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 . . 12 ppm . . . 4.701 . . 30726 1 2 . . N 15 N . . 35 ppm . . . 118 . . 30726 1 3 . . H 1 H . . 12 ppm . . . 4.701 . . 30726 1 stop_ save_