######################### # 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 35036 _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 ; # Number of dimensions 2 #FORMAT xeasy2D #INAME 1 h #INAME 2 H #CYANAFORMAT hH 2 4.326 8.686 1 U 2.990E+07 0.000E+00 e 0 4 7 3 3.882 8.393 1 U 2.280E+08 0.000E+00 e 0 9 10 4 4.508 8.276 1 U 8.050E+07 0.000E+00 e 0 27 30 5 4.605 8.269 1 U 1.800E+08 0.000E+00 e 0 15 18 6 4.289 8.204 1 U 9.690E+08 0.000E+00 e 0 23 26 7 4.129 8.149 1 U 9.690E+08 0.000E+00 e 0 78 79 8 4.493 7.997 1 U 2.260E+09 0.000E+00 e 0 55 56 9 4.192 7.996 1 U 2.260E+09 0.000E+00 e 0 19 21 10 4.232 7.925 1 U 2.340E+09 0.000E+00 e 0 11 13 11 4.254 8.049 1 U 2.260E+09 0.000E+00 e 0 58 59 12 4.092 8.035 1 U 2.260E+09 0.000E+00 e 0 35 38 13 4.107 7.606 1 U 8.650E+07 0.000E+00 e 0 114 116 14 2.486 7.882 1 U 2.400E+07 0.000E+00 e 0 109 108 16 4.286 7.753 1 U 2.340E+09 0.000E+00 e 0 45 48 17 4.039 7.811 1 U 2.340E+09 0.000E+00 e 0 39 40 18 1.741 7.995 1 U 3.480E+07 0.000E+00 e 0 69 73 19 1.527 8.047 1 U 3.520E+08 0.000E+00 e 0 64 66 20 0.742 7.838 1 U 2.950E+07 0.000E+00 e 0 53 51 21 0.677 7.895 1 U 3.280E+08 0.000E+00 e 0 104 101 22 3.714 7.789 1 U 3.160E+08 0.000E+00 e 0 88 90 23 2.260 8.150 1 U 1.010E+08 0.000E+00 e 0 81 79 24 4.454 7.878 1 U 2.340E+09 0.000E+00 e 0 110 113 25 2.984 7.951 1 U 1.010E+08 0.000E+00 e 0 32 34 26 2.900 8.110 1 U 5.180E+08 0.000E+00 e 0 98 97 27 2.960 7.947 1 U 1.050E+08 0.000E+00 e 0 87 86 28 4.506 8.103 1 U 9.690E+08 0.000E+00 e 0 82 83 30 2.043 8.685 1 U 3.890E+07 0.000E+00 e 0 5 7 31 1.945 8.676 1 U 3.890E+07 0.000E+00 e 0 6 7 32 4.340 1.945 1 U 8.680E+07 0.000E+00 e 0 4 6 35 2.321 2.069 1 U 3.030E+08 0.000E+00 e 0 8 5 36 2.321 1.953 1 U 2.770E+09 0.000E+00 e 0 8 6 37 4.338 8.394 1 U 1.540E+08 0.000E+00 e 0 4 10 38 4.027 7.924 1 U 2.340E+09 0.000E+00 e 0 12 13 39 1.013 7.922 1 U 4.630E+07 0.000E+00 e 0 14 13 40 3.889 7.923 1 U 2.340E+09 0.000E+00 e 0 9 13 41 4.243 4.028 1 U 3.980E+08 0.000E+00 e 0 11 12 42 4.225 1.013 1 U 1.610E+08 0.000E+00 e 0 11 14 43 4.031 1.016 1 U 2.530E+08 0.000E+00 e 0 12 14 44 4.248 8.271 1 U 5.220E+08 0.000E+00 e 0 11 18 45 4.022 8.262 1 U 6.940E+07 0.000E+00 e 0 12 18 46 3.029 8.268 1 U 1.290E+08 0.000E+00 e 0 16 18 47 2.909 8.266 1 U 8.200E+07 0.000E+00 e 0 17 18 48 2.909 7.997 1 U 3.240E+09 0.000E+00 e 0 17 21 49 3.032 8.000 1 U 6.040E+06 0.000E+00 e 0 16 21 50 4.144 7.995 1 U 2.260E+09 0.000E+00 e 0 20 21 51 4.594 3.039 1 U 1.650E+08 0.000E+00 e 0 15 16 52 4.594 2.921 1 U 9.250E+07 0.000E+00 e 0 15 17 53 3.030 2.918 1 U 1.420E+09 0.000E+00 e 0 16 17 54 4.195 1.080 1 U 3.270E+08 0.000E+00 e 0 19 22 55 4.143 1.079 1 U 2.630E+08 0.000E+00 e 0 20 22 56 4.193 4.089 1 U 2.580E+09 0.000E+00 e 0 19 20 58 4.202 8.207 1 U 9.690E+08 0.000E+00 e 0 19 26 59 4.156 8.209 1 U 1.060E+07 0.000E+00 e 0 20 26 60 4.592 7.998 1 U 2.260E+09 0.000E+00 e 0 15 21 61 3.780 8.207 1 U 1.190E+08 0.000E+00 e 0 24 26 62 3.723 8.206 1 U 1.760E+05 0.000E+00 e 0 25 26 63 4.296 3.801 1 U 1.370E+09 0.000E+00 e 0 23 24 64 4.294 3.728 1 U 4.900E+07 0.000E+00 e 0 23 25 65 3.798 3.728 1 U 9.500E+08 0.000E+00 e 0 24 25 66 4.307 8.281 1 U 3.050E+07 0.000E+00 e 0 23 30 67 2.580 8.271 1 U 1.170E+08 0.000E+00 e 0 29 30 68 3.786 8.281 1 U 4.630E+06 0.000E+00 e 0 24 30 69 3.737 8.277 1 U 1.630E+07 0.000E+00 e 0 25 30 70 2.632 8.273 1 U 9.740E+07 0.000E+00 e 0 28 30 71 2.640 7.951 1 U 2.990E+09 0.000E+00 e 0 28 34 72 2.577 7.951 1 U 3.170E+07 0.000E+00 e 0 29 34 73 4.521 2.573 1 U 1.530E+08 0.000E+00 e 0 27 29 74 4.521 2.637 1 U 5.260E+08 0.000E+00 e 0 27 28 75 4.331 2.931 1 U 7.280E+06 0.000E+00 e 0 31 33 76 4.331 2.962 1 U 3.820E+08 0.000E+00 e 0 31 32 77 4.330 7.944 1 U 2.340E+09 0.000E+00 e 0 31 34 78 4.509 7.941 1 U 2.340E+09 0.000E+00 e 0 27 34 79 2.938 7.951 1 U 3.810E+07 0.000E+00 e 0 33 34 80 2.969 7.754 1 U 4.210E+08 0.000E+00 e 0 46 48 81 2.751 7.752 1 U 2.020E+08 0.000E+00 e 0 47 48 82 4.284 2.962 1 U 5.130E+07 0.000E+00 e 0 45 46 83 4.288 2.763 1 U 1.710E+08 0.000E+00 e 0 45 47 84 2.968 2.764 1 U 3.740E+08 0.000E+00 e 0 46 47 85 1.394 7.842 1 U 1.880E+08 0.000E+00 e 0 52 51 86 1.352 7.842 1 U 6.650E+04 0.000E+00 e 0 50 51 87 0.713 7.888 1 U 1.590E+08 0.000E+00 e 0 103 101 88 3.986 1.386 1 U 9.340E+08 0.000E+00 e 0 49 52 89 3.982 1.386 1 U 7.710E+08 0.000E+00 e 0 49 50 90 3.991 0.736 1 U 5.350E+08 0.000E+00 e 0 49 53 91 3.993 0.694 1 U 7.980E+08 0.000E+00 e 0 49 54 92 1.412 0.739 1 U 1.050E+09 0.000E+00 e 0 52 53 93 1.412 0.698 1 U 2.480E+09 0.000E+00 e 0 52 54 94 1.383 0.742 1 U 3.180E+06 0.000E+00 e 0 50 53 95 1.384 0.700 1 U 3.520E+09 0.000E+00 e 0 50 54 96 4.287 7.837 1 U 2.340E+09 0.000E+00 e 0 45 51 97 2.966 7.840 1 U 2.200E+09 0.000E+00 e 0 46 51 98 2.746 7.844 1 U 6.520E+07 0.000E+00 e 0 47 51 99 1.607 7.815 1 U 1.470E+08 0.000E+00 e 0 41 40 100 1.521 7.813 1 U 4.320E+08 0.000E+00 e 0 42 40 101 1.139 7.813 1 U 7.580E+07 0.000E+00 e 0 44 40 102 1.606 7.758 1 U 8.770E+07 0.000E+00 e 0 41 48 103 4.039 7.758 1 U 2.340E+09 0.000E+00 e 0 39 48 105 4.038 1.599 1 U 3.040E+08 0.000E+00 e 0 39 41 106 4.039 1.513 1 U 8.820E+07 0.000E+00 e 0 39 42 107 4.025 1.127 1 U 1.490E+09 0.000E+00 e 0 39 44 109 2.822 1.518 1 U 2.590E+08 0.000E+00 e 0 43 42 110 2.819 1.149 1 U 7.400E+08 0.000E+00 e 0 43 44 111 1.603 1.145 1 U 3.330E+08 0.000E+00 e 0 41 44 112 1.520 1.152 1 U 9.090E+07 0.000E+00 e 0 42 44 113 3.786 8.029 1 U 2.260E+09 0.000E+00 e 0 36 38 114 3.720 8.032 1 U 2.260E+09 0.000E+00 e 0 37 38 115 4.091 7.816 1 U 2.340E+09 0.000E+00 e 0 35 40 116 3.775 7.816 1 U 2.340E+09 0.000E+00 e 0 36 40 117 3.731 7.808 1 U 2.340E+09 0.000E+00 e 0 37 40 118 4.093 3.795 1 U 1.820E+07 0.000E+00 e 0 35 36 119 4.092 3.738 1 U 7.450E+07 0.000E+00 e 0 35 37 120 3.810 3.733 1 U 9.500E+08 0.000E+00 e 0 36 37 121 3.216 7.875 1 U 4.290E+08 0.000E+00 e 0 111 113 122 3.145 7.880 1 U 2.870E+08 0.000E+00 e 0 112 113 123 4.456 3.223 1 U 2.170E+08 0.000E+00 e 0 110 111 124 4.452 3.118 1 U 2.190E+08 0.000E+00 e 0 110 112 125 3.217 3.120 1 U 7.720E+08 0.000E+00 e 0 111 112 126 2.679 7.994 1 U 3.420E+07 0.000E+00 e 0 57 56 127 4.482 2.693 1 U 3.140E+08 0.000E+00 e 0 55 57 128 1.855 0.688 1 U 1.710E+09 0.000E+00 e 0 89 91 129 3.724 0.677 1 U 2.550E+08 0.000E+00 e 0 88 91 130 3.717 1.853 1 U 5.050E+08 0.000E+00 e 0 88 89 131 1.852 7.778 1 U 2.220E+08 0.000E+00 e 0 89 90 132 0.687 7.778 1 U 4.280E+08 0.000E+00 e 0 91 90 133 4.114 8.117 1 U 9.690E+08 0.000E+00 e 0 75 76 134 1.318 8.121 1 U 2.610E+08 0.000E+00 e 0 77 76 135 4.112 1.319 1 U 5.320E+08 0.000E+00 e 0 75 77 136 1.935 8.150 1 U 1.850E+08 0.000E+00 e 0 80 79 137 2.258 1.985 1 U 1.970E+08 0.000E+00 e 0 81 80 138 4.131 2.257 1 U 2.370E+08 0.000E+00 e 0 78 81 139 4.127 1.971 1 U 5.680E+08 0.000E+00 e 0 78 80 140 0.969 7.605 1 U 1.140E+07 0.000E+00 e 0 117 116 141 4.067 7.621 1 U 5.520E+07 0.000E+00 e 0 115 116 142 4.121 0.986 1 U 7.340E+07 0.000E+00 e 0 114 117 143 4.097 0.988 1 U 1.870E+08 0.000E+00 e 0 115 117 144 4.462 8.680 1 U 1.670E+08 0.000E+00 e 0 1 7 145 4.461 3.793 1 U 1.240E+08 0.000E+00 e 0 1 3 147 4.261 7.880 1 U 2.340E+09 0.000E+00 e 0 105 108 148 1.978 7.882 1 U 1.320E+08 0.000E+00 e 0 106 108 149 1.897 7.885 1 U 2.700E+08 0.000E+00 e 0 107 108 150 4.249 2.486 1 U 1.100E+08 0.000E+00 e 0 105 109 151 4.239 1.971 1 U 9.350E+06 0.000E+00 e 0 105 106 152 4.239 1.891 1 U 1.640E+08 0.000E+00 e 0 105 107 153 2.465 1.969 1 U 8.020E+07 0.000E+00 e 0 109 106 154 2.469 1.886 1 U 8.670E+07 0.000E+00 e 0 109 107 155 1.977 1.889 1 U 1.400E+09 0.000E+00 e 0 106 107 156 1.885 8.010 1 U 2.700E+08 0.000E+00 e 0 94 93 157 4.020 8.010 1 U 2.260E+09 0.000E+00 e 0 92 93 158 4.023 2.169 1 U 1.380E+08 0.000E+00 e 0 92 95 159 4.023 1.887 1 U 2.990E+08 0.000E+00 e 0 92 94 160 2.190 1.901 1 U 1.080E+08 0.000E+00 e 0 95 94 161 3.874 8.047 1 U 2.260E+09 0.000E+00 e 0 60 59 162 4.251 3.867 1 U 1.800E+08 0.000E+00 e 0 58 60 163 1.484 8.045 1 U 2.050E+08 0.000E+00 e 0 65 66 164 1.744 8.049 1 U 3.710E+05 0.000E+00 e 0 62 66 165 1.668 8.048 1 U 1.700E+08 0.000E+00 e 0 63 66 166 1.669 8.002 1 U 4.260E+08 0.000E+00 e 0 70 73 167 1.522 8.000 1 U 2.860E+08 0.000E+00 e 0 71 73 168 1.483 7.996 1 U 3.730E+06 0.000E+00 e 0 72 73 169 4.148 8.039 1 U 2.260E+09 0.000E+00 e 0 61 66 170 4.148 8.009 1 U 2.260E+09 0.000E+00 e 0 68 73 171 4.143 3.007 1 U 4.100E+07 0.000E+00 e 0 61 67 172 4.142 3.007 1 U 3.800E+07 0.000E+00 e 0 68 74 173 4.162 1.762 1 U 2.480E+07 0.000E+00 e 0 61 62 174 4.145 1.760 1 U 3.170E+08 0.000E+00 e 0 68 69 175 4.159 1.680 1 U 1.950E+08 0.000E+00 e 0 61 63 176 4.136 1.674 1 U 1.350E+08 0.000E+00 e 0 68 70 177 4.153 1.534 1 U 6.210E+07 0.000E+00 e 0 61 64 178 4.152 1.490 1 U 8.650E+07 0.000E+00 e 0 61 65 179 4.135 1.528 1 U 4.250E+08 0.000E+00 e 0 68 71 180 4.138 1.493 1 U 2.020E+08 0.000E+00 e 0 68 72 181 3.025 1.758 1 U 6.470E+07 0.000E+00 e 0 67 62 182 3.023 1.674 1 U 2.430E+08 0.000E+00 e 0 67 63 183 3.015 1.521 1 U 4.210E+08 0.000E+00 e 0 67 71 184 3.014 1.483 1 U 3.100E+08 0.000E+00 e 0 67 65 185 3.002 1.760 1 U 6.330E+07 0.000E+00 e 0 74 69 186 3.005 1.674 1 U 1.480E+07 0.000E+00 e 0 74 70 187 2.997 1.521 1 U 1.130E+04 0.000E+00 e 0 74 71 188 2.997 1.487 1 U 2.400E+07 0.000E+00 e 0 74 72 189 1.744 1.674 1 U 2.440E+09 0.000E+00 e 0 69 70 190 1.742 1.675 1 U 2.440E+09 0.000E+00 e 0 62 63 191 1.746 1.524 1 U 4.490E+10 0.000E+00 e 0 62 64 192 1.745 1.491 1 U 3.660E+06 0.000E+00 e 0 62 65 193 1.738 1.522 1 U 2.430E+09 0.000E+00 e 0 69 71 194 1.737 1.493 1 U 3.560E+08 0.000E+00 e 0 69 72 195 1.669 1.524 1 U 1.480E+07 0.000E+00 e 0 63 64 196 1.672 1.484 1 U 4.600E+09 0.000E+00 e 0 63 65 197 1.662 1.521 1 U 7.480E+10 0.000E+00 e 0 70 71 198 1.662 1.489 1 U 1.140E+08 0.000E+00 e 0 70 72 199 1.738 8.125 1 U 6.550E+06 0.000E+00 e 0 69 76 200 1.665 8.121 1 U 5.690E+07 0.000E+00 e 0 70 76 201 2.681 8.049 1 U 1.420E+07 0.000E+00 e 0 57 59 202 3.992 7.835 1 U 2.340E+09 0.000E+00 e 0 49 51 203 1.327 7.897 1 U 3.620E+08 0.000E+00 e 0 100 101 204 1.399 7.895 1 U 1.640E+07 0.000E+00 e 0 102 101 205 1.326 0.691 1 U 1.660E+09 0.000E+00 e 0 100 103 206 1.403 0.692 1 U 1.770E+08 0.000E+00 e 0 102 103 207 4.183 0.694 1 U 3.380E+06 0.000E+00 e 0 99 103 208 4.217 1.318 1 U 1.190E+08 0.000E+00 e 0 99 100 209 4.214 1.394 1 U 1.710E+08 0.000E+00 e 0 99 102 210 0.697 7.840 1 U 3.260E+06 0.000E+00 e 0 54 51 211 2.633 8.098 1 U 2.740E+08 0.000E+00 e 0 84 83 212 4.489 2.636 1 U 3.300E+08 0.000E+00 e 0 82 84 213 4.340 7.935 1 U 2.340E+09 0.000E+00 e 0 85 86 214 4.329 2.955 1 U 8.370E+08 0.000E+00 e 0 85 87 215 4.331 8.108 1 U 9.690E+08 0.000E+00 e 0 96 97 216 4.321 2.854 1 U 4.360E+08 0.000E+00 e 0 96 98 217 4.208 7.886 1 U 2.340E+09 0.000E+00 e 0 99 101 218 8.274 7.925 1 U 4.850E+07 0.000E+00 e 0 18 13 219 8.256 7.998 1 U 2.960E+07 0.000E+00 e 0 18 21 220 8.204 7.995 1 U 1.010E+10 0.000E+00 e 0 26 21 221 8.258 8.204 1 U 5.030E+09 0.000E+00 e 0 30 26 222 7.953 8.274 1 U 1.190E+08 0.000E+00 e 0 34 30 223 4.324 8.040 1 U 2.260E+09 0.000E+00 e 0 31 38 224 8.052 7.946 1 U 2.130E+08 0.000E+00 e 0 38 34 225 2.978 8.037 1 U 3.860E+05 0.000E+00 e 0 32 38 226 2.909 8.037 1 U 2.040E+06 0.000E+00 e 0 33 38 227 8.042 7.812 1 U 3.090E+08 0.000E+00 e 0 38 40 228 7.805 7.755 1 U 1.690E+09 0.000E+00 e 0 40 48 229 7.837 7.751 1 U 1.690E+09 0.000E+00 e 0 51 48 230 3.988 8.000 1 U 2.260E+09 0.000E+00 e 0 49 56 231 7.998 7.835 1 U 5.700E+09 0.000E+00 e 0 56 51 232 4.490 8.047 1 U 2.260E+09 0.000E+00 e 0 55 59 233 7.992 8.049 1 U 1.010E+10 0.000E+00 e 0 56 59 234 4.255 8.043 1 U 2.260E+09 0.000E+00 e 0 58 66 235 8.033 8.049 1 U 1.010E+10 0.000E+00 e 0 66 59 236 4.154 8.011 1 U 2.260E+09 0.000E+00 e 0 61 73 237 4.147 8.123 1 U 9.690E+08 0.000E+00 e 0 68 76 238 8.051 8.005 1 U 2.130E+08 0.000E+00 e 0 66 73 239 8.023 8.128 1 U 5.030E+09 0.000E+00 e 0 73 76 240 4.119 8.146 1 U 9.690E+08 0.000E+00 e 0 75 79 241 8.119 8.155 1 U 5.030E+09 0.000E+00 e 0 76 79 242 1.323 8.146 1 U 6.720E+07 0.000E+00 e 0 77 79 243 4.117 8.047 1 U 2.260E+09 0.000E+00 e 0 78 83 244 8.155 8.051 1 U 1.010E+10 0.000E+00 e 0 79 83 245 8.111 7.949 1 U 1.010E+10 0.000E+00 e 0 83 86 246 4.344 7.767 1 U 2.340E+09 0.000E+00 e 0 85 90 247 7.957 7.790 1 U 1.690E+09 0.000E+00 e 0 86 90 248 3.720 8.016 1 U 2.260E+09 0.000E+00 e 0 88 93 249 7.766 8.014 1 U 1.190E+08 0.000E+00 e 0 90 93 250 4.031 8.112 1 U 9.690E+08 0.000E+00 e 0 92 97 251 8.113 8.013 1 U 1.010E+10 0.000E+00 e 0 97 93 252 4.014 7.881 1 U 2.340E+09 0.000E+00 e 0 92 101 253 4.333 7.878 1 U 2.340E+09 0.000E+00 e 0 96 101 254 8.113 7.882 1 U 4.490E+07 0.000E+00 e 0 97 101 255 4.213 7.880 1 U 2.340E+09 0.000E+00 e 0 99 108 256 7.886 7.887 1 U 5.700E+09 0.000E+00 e 0 101 108 257 4.262 7.877 1 U 2.340E+09 0.000E+00 e 0 105 113 258 7.884 7.883 1 U 5.700E+09 0.000E+00 e 0 108 113 259 4.040 7.833 1 U 2.340E+09 0.000E+00 e 0 39 51 260 7.842 7.819 1 U 3.340E+09 0.000E+00 e 0 51 40 261 8.278 8.002 1 U 2.140E+07 0.000E+00 e 0 30 21 262 4.191 7.943 1 U 2.340E+09 0.000E+00 e 0 19 34 263 4.225 2.975 1 U 2.940E+06 0.000E+00 e 0 19 32 264 4.231 2.951 1 U 3.530E+05 0.000E+00 e 0 19 33 265 4.190 8.040 1 U 2.260E+09 0.000E+00 e 0 19 38 266 8.177 7.949 1 U 1.010E+10 0.000E+00 e 0 26 34 267 4.189 8.043 3 U 2.260E+09 0.000E+00 e 0 0 0 #QU 0.497 #SUP 0.50 268 4.308 8.038 1 U 2.260E+09 0.000E+00 e 0 23 38 269 4.314 3.798 1 U 8.730E+08 0.000E+00 e 0 23 36 270 4.312 3.732 1 U 4.940E+07 0.000E+00 e 0 23 37 271 4.314 7.813 1 U 2.340E+09 0.000E+00 e 0 23 40 272 8.003 8.274 1 U 1.860E+06 0.000E+00 e 0 38 30 273 4.511 7.816 1 U 2.340E+09 0.000E+00 e 0 27 40 274 4.469 1.590 1 U 1.750E+08 0.000E+00 e 0 27 41 275 4.511 7.760 1 U 2.340E+09 0.000E+00 e 0 27 48 276 7.958 7.816 1 U 3.090E+08 0.000E+00 e 0 34 40 277 4.320 7.751 1 U 2.340E+09 0.000E+00 e 0 31 48 278 4.325 2.760 1 U 8.990E+07 0.000E+00 e 0 31 47 279 4.323 2.963 1 U 4.360E+05 0.000E+00 e 0 31 46 280 4.322 7.837 1 U 2.340E+09 0.000E+00 e 0 31 51 281 4.087 7.754 4 U 2.340E+09 0.000E+00 e 0 0 0 282 7.761 8.035 1 U 1.190E+08 0.000E+00 e 0 48 38 283 4.084 7.825 1 U 2.340E+09 0.000E+00 e 0 35 51 284 4.088 1.393 1 U 7.820E+08 0.000E+00 e 0 35 52 285 4.037 7.836 1 U 2.340E+09 0.000E+00 e 0 39 51 286 4.165 8.120 1 U 9.690E+08 0.000E+00 e 0 61 76 287 8.099 8.046 1 U 1.010E+10 0.000E+00 e 0 76 66 288 4.161 8.153 1 U 9.690E+08 0.000E+00 e 0 61 79 289 4.163 1.970 1 U 3.000E+08 0.000E+00 e 0 61 80 290 4.151 8.148 1 U 9.690E+08 0.000E+00 e 0 68 79 291 8.147 8.003 1 U 1.010E+10 0.000E+00 e 0 79 73 292 4.150 8.098 1 U 2.260E+09 0.000E+00 e 0 68 83 293 4.149 2.632 1 U 3.910E+08 0.000E+00 e 0 68 84 294 4.118 8.095 1 U 2.260E+09 0.000E+00 e 0 75 83 295 8.141 8.095 1 U 5.030E+09 0.000E+00 e 0 76 83 296 4.124 7.949 1 U 2.340E+09 0.000E+00 e 0 75 86 297 4.116 2.986 1 U 7.570E+08 0.000E+00 e 0 75 87 298 4.121 7.951 1 U 2.340E+09 0.000E+00 e 0 78 86 299 8.145 7.950 1 U 1.010E+10 0.000E+00 e 0 79 86 ; 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 . 'not observed' 6132.234 Hz . . . 4.76 . . 35036 1 2 . . H 1 H . aliased 6132.234 Hz . . . 4.76 . . 35036 1 stop_ save_