######################### # 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 31001 _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 6 _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 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'modified for non-standard amino acids and cyclic peptide analysis' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #FORMAT xeasy2D #INAME 1 H1 #INAME 2 H2 #SPECTRUM NOESY H1 H2 1 7.694 1.397 1 U 2.710000E+07 0.000000E+00 e 0 0 0 2 7.690 4.481 1 U 8.490000E+06 0.000000E+00 e 0 0 0 3 8.417 4.830 1 U 3.940000E+06 0.000000E+00 e 0 0 0 4 8.417 2.847 1 U 7.100000E+06 0.000000E+00 e 0 0 0 5 7.694 3.150 1 U 1.720000E+07 0.000000E+00 e 0 0 0 6 3.152 4.579 1 U 1.120000E+08 0.000000E+00 e 0 0 0 7 2.850 4.576 1 U 1.260000E+08 0.000000E+00 e 0 0 0 8 3.152 1.505 1 U 7.590000E+07 0.000000E+00 e 0 0 0 9 2.850 1.296 1 U 8.200000E+07 0.000000E+00 e 0 0 0 10 4.578 1.509 1 U 2.380000E+07 0.000000E+00 e 0 0 0 11 4.578 0.821 1 U 7.310000E+06 0.000000E+00 e 0 0 0 12 4.465 1.403 1 U 1.940000E+07 0.000000E+00 e 0 0 0 13 4.832 1.320 1 U 4.610000E+07 0.000000E+00 e 0 0 0 14 4.827 8.419 1 U 8.850000E+06 0.000000E+00 e 0 0 0 15 4.827 6.712 1 U 1.000000E+07 0.000000E+00 e 0 0 0 16 4.467 6.900 1 U 4.340000E+06 0.000000E+00 e 0 0 0 17 6.714 8.418 1 U 2.520000E+07 0.000000E+00 e 0 0 0 18 6.902 7.693 1 U 2.690000E+07 0.000000E+00 e 0 0 0 19 6.714 4.155 1 U 1.580000E+07 0.000000E+00 e 0 0 0 20 6.898 4.167 1 U 7.950000E+06 0.000000E+00 e 0 0 0 21 6.902 2.174 1 U 2.120000E+07 0.000000E+00 e 0 0 0 22 6.714 2.044 1 U 3.160000E+07 0.000000E+00 e 0 0 0 23 6.714 0.976 1 U 5.060000E+06 0.000000E+00 e 0 0 0 24 6.714 1.061 1 U 3.720000E+07 0.000000E+00 e 0 0 0 25 6.902 0.900 1 U 2.490000E+06 0.000000E+00 e 0 0 0 26 6.903 1.003 1 U 2.140000E+07 0.000000E+00 e 0 0 0 27 3.110 5.539 1 U 1.020000E+07 0.000000E+00 e 0 0 0 28 3.123 5.360 1 U 6.290000E+06 0.000000E+00 e 0 0 0 29 5.358 3.123 1 U 4.520000E+06 0.000000E+00 e 0 0 0 30 5.546 3.106 1 U 4.600000E+06 0.000000E+00 e 0 0 0 31 5.541 0.918 1 U 3.650000E+07 0.000000E+00 e 0 0 0 32 5.541 0.978 1 U 4.940000E+06 0.000000E+00 e 0 0 0 33 5.537 1.431 1 U 5.670000E+06 0.000000E+00 e 0 0 0 34 5.544 1.647 1 U 6.860000E+06 0.000000E+00 e 0 0 0 35 5.538 2.046 1 U 3.000000E+07 0.000000E+00 e 0 0 0 36 5.351 1.865 1 U 1.830000E+07 0.000000E+00 e 0 0 0 37 5.355 1.638 1 U 3.220000E+06 0.000000E+00 e 0 0 0 38 5.351 1.376 1 U 5.620000E+06 0.000000E+00 e 0 0 0 39 5.356 0.944 1 U 3.910000E+06 0.000000E+00 e 0 0 0 40 5.352 0.831 1 U 4.470000E+07 0.000000E+00 e 0 0 0 41 7.464 5.539 1 U 1.080000E+07 0.000000E+00 e 0 0 0 42 6.927 5.353 1 U 1.060000E+07 0.000000E+00 e 0 0 0 43 8.416 5.379 1 U 1.280000E+07 0.000000E+00 e 0 0 0 44 7.468 4.342 1 U 1.390000E+07 0.000000E+00 e 0 0 0 45 6.930 4.576 1 U 1.010000E+07 0.000000E+00 e 0 0 0 46 7.465 3.108 1 U 2.090000E+07 0.000000E+00 e 0 0 0 47 6.927 3.124 1 U 1.720000E+07 0.000000E+00 e 0 0 0 48 7.467 0.991 1 U 3.220000E+06 0.000000E+00 e 0 0 0 49 7.466 0.923 1 U 2.800000E+06 0.000000E+00 e 0 0 0 50 7.464 1.321 1 U 6.150000E+06 0.000000E+00 e 0 0 0 51 7.464 1.821 1 U 1.890000E+07 0.000000E+00 e 0 0 0 52 7.465 1.671 1 U 3.460000E+06 0.000000E+00 e 0 0 0 53 7.465 1.965 1 U 2.280000E+07 0.000000E+00 e 0 0 0 54 6.928 0.814 1 U 3.720000E+06 0.000000E+00 e 0 0 0 55 6.903 1.003 1 U 2.140000E+07 0.000000E+00 e 0 0 0 56 6.924 1.509 1 U 2.160000E+06 0.000000E+00 e 0 0 0 57 6.925 1.711 1 U 5.930000E+06 0.000000E+00 e 0 0 0 58 6.925 1.862 1 U 1.690000E+07 0.000000E+00 e 0 0 0 59 6.926 0.985 1 U 3.050000E+06 0.000000E+00 e 0 0 0 60 7.465 4.154 1 U 4.100000E+06 0.000000E+00 e 0 0 0 61 7.464 7.198 1 U 1.700000E+07 0.000000E+00 e 0 0 0 62 7.200 7.463 1 U 1.230000E+07 0.000000E+00 e 0 0 0 63 7.204 4.740 1 U 6.020000E+06 0.000000E+00 e 0 0 0 64 7.202 4.344 1 U 2.670000E+06 0.000000E+00 e 0 0 0 65 7.200 1.969 1 U 2.420000E+06 0.000000E+00 e 0 0 0 66 7.201 1.321 1 U 4.770000E+06 0.000000E+00 e 0 0 0 67 7.200 1.514 1 U 2.430000E+06 0.000000E+00 e 0 0 0 68 7.201 1.607 1 U 6.320000E+06 0.000000E+00 e 0 0 0 69 7.693 4.576 1 U 2.270000E+06 0.000000E+00 e 0 0 0 70 8.419 4.576 1 U 1.700000E+06 0.000000E+00 e 0 0 0 71 8.155 4.929 1 U 2.220000E+06 0.000000E+00 e 0 0 0 72 3.388 4.741 1 U 1.680000E+07 0.000000E+00 e 0 0 0 73 3.504 4.742 1 U 3.960000E+07 0.000000E+00 e 0 0 0 74 3.403 4.273 1 U 7.670000E+05 0.000000E+00 e 0 0 0 75 3.502 4.274 1 U 2.080000E+06 0.000000E+00 e 0 0 0 76 3.810 4.577 1 U 2.970000E+06 0.000000E+00 e 0 0 0 77 3.739 4.575 1 U 3.540000E+06 0.000000E+00 e 0 0 0 78 3.616 4.577 1 U 1.830000E+06 0.000000E+00 e 0 0 0 79 3.743 4.718 1 U 4.770000E+07 0.000000E+00 e 0 0 0 80 3.619 4.719 1 U 1.260000E+07 0.000000E+00 e 0 0 0 81 3.811 4.924 1 U 1.220000E+07 0.000000E+00 e 0 0 0 82 3.399 8.158 1 U 4.210000E+06 0.000000E+00 e 0 0 0 83 3.809 0.925 1 U 6.440000E+06 0.000000E+00 e 0 0 0 84 3.760 0.927 1 U 5.500000E+06 0.000000E+00 e 0 0 0 85 8.158 0.829 1 U 2.150000E+06 0.000000E+00 e 0 0 0 86 8.153 0.925 1 U 1.180000E+06 0.000000E+00 e 0 0 0 87 8.154 1.392 1 U 2.170000E+07 0.000000E+00 e 0 0 0 88 8.156 1.931 1 U 2.090000E+07 0.000000E+00 e 0 0 0 89 8.152 3.403 1 U 4.630000E+06 0.000000E+00 e 0 0 0 90 8.154 4.107 1 U 2.440000E+07 0.000000E+00 e 0 0 0 91 8.154 4.289 1 U 4.200000E+06 0.000000E+00 e 0 0 0 92 4.287 8.157 1 U 5.560000E+06 0.000000E+00 e 0 0 0 93 4.103 8.158 1 U 1.920000E+07 0.000000E+00 e 0 0 0 94 4.287 3.501 1 U 2.740000E+06 0.000000E+00 e 0 0 0 95 4.287 3.403 1 U 1.640000E+06 0.000000E+00 e 0 0 0 96 4.284 2.591 1 U 1.460000E+07 0.000000E+00 e 0 0 0 97 5.825 4.108 1 U 1.470000E+07 0.000000E+00 e 0 0 0 98 5.824 4.577 1 U 4.750000E+07 0.000000E+00 e 0 0 0 99 4.578 5.820 1 U 3.440000E+07 0.000000E+00 e 0 0 0 100 4.720 3.740 1 U 4.240000E+07 0.000000E+00 e 0 0 0 101 4.720 3.616 1 U 1.660000E+07 0.000000E+00 e 0 0 0 102 8.048 4.732 1 U 2.560000E+07 0.000000E+00 e 0 0 0 103 8.042 1.726 1 U 4.080000E+06 0.000000E+00 e 0 0 0 104 8.041 1.646 1 U 1.570000E+07 0.000000E+00 e 0 0 0 105 8.044 1.513 1 U 1.580000E+06 0.000000E+00 e 0 0 0 106 8.039 0.993 1 U 2.340000E+06 0.000000E+00 e 0 0 0 107 2.590 2.007 1 U 1.150000E+08 0.000000E+00 e 0 0 0 108 4.107 4.294 1 U 4.350000E+07 0.000000E+00 e 0 0 0 109 4.286 4.108 1 U 6.640000E+07 0.000000E+00 e 0 0 0 110 4.745 3.384 1 U 1.680000E+07 0.000000E+00 e 0 0 0 111 4.743 3.501 1 U 5.420000E+07 0.000000E+00 e 0 0 0 112 3.809 2.019 1 U 1.470000E+07 0.000000E+00 e 0 0 0 113 3.742 2.019 1 U 2.080000E+07 0.000000E+00 e 0 0 0 114 3.810 2.254 1 U 9.080000E+06 0.000000E+00 e 0 0 0 115 3.759 2.250 1 U 1.580000E+07 0.000000E+00 e 0 0 0 116 3.767 2.094 1 U 4.760000E+06 0.000000E+00 e 0 0 0 117 3.810 2.079 1 U 4.330000E+06 0.000000E+00 e 0 0 0 118 3.768 2.012 1 U 3.270000E+06 0.000000E+00 e 0 0 0 119 3.507 1.663 1 U 2.940000E+06 0.000000E+00 e 0 0 0 120 3.400 1.667 1 U 1.420000E+07 0.000000E+00 e 0 0 0 121 3.403 1.882 1 U 9.690000E+06 0.000000E+00 e 0 0 0 122 3.510 1.882 1 U 2.050000E+07 0.000000E+00 e 0 0 0 123 3.502 1.811 1 U 6.980000E+06 0.000000E+00 e 0 0 0 124 3.507 2.000 1 U 3.390000E+07 0.000000E+00 e 0 0 0 125 3.513 2.073 1 U 6.700000E+06 0.000000E+00 e 0 0 0 126 3.391 2.094 1 U 2.650000E+07 0.000000E+00 e 0 0 0 127 3.396 2.000 1 U 6.120000E+06 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1.325 8.418 1 U 2.320000E+07 0.000000E+00 e 0 0 0 147 1.400 7.694 1 U 3.750000E+07 0.000000E+00 e 0 0 0 148 1.285 2.845 1 U 4.740000E+07 0.000000E+00 e 0 0 0 149 1.268 4.107 1 U 1.770000E+07 0.000000E+00 e 0 0 0 150 1.286 5.380 1 U 2.510000E+07 0.000000E+00 e 0 0 0 151 1.510 4.576 1 U 1.320000E+07 0.000000E+00 e 0 0 0 152 4.582 3.150 1 U 7.670000E+07 0.000000E+00 e 0 0 0 153 5.384 2.846 1 U 6.190000E+06 0.000000E+00 e 0 0 0 154 8.416 6.711 1 U 1.800000E+07 0.000000E+00 e 0 0 0 155 8.420 1.621 1 U 1.050000E+06 0.000000E+00 e 0 0 0 156 8.420 0.819 1 U 5.150000E+05 0.000000E+00 e 0 0 0 157 5.393 1.276 1 U 4.350000E+07 0.000000E+00 e 0 0 0 158 4.576 2.847 1 U 7.350000E+07 0.000000E+00 e 0 0 0 159 5.540 7.460 1 U 9.480000E+06 0.000000E+00 e 0 0 0 160 5.539 7.194 1 U 2.040000E+06 0.000000E+00 e 0 0 0 161 5.824 1.510 1 U 1.800000E+07 0.000000E+00 e 0 0 0 162 5.032 1.005 1 U 8.600000E+06 0.000000E+00 e 0 0 0 163 4.921 3.806 1 U 4.570000E+07 0.000000E+00 e 0 0 0 164 4.921 3.762 1 U 1.100000E+07 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3.389 0.822 1 U 1.780000E+06 0.000000E+00 e 0 0 0 184 3.394 2.589 1 U 7.860000E+05 0.000000E+00 e 0 0 0 185 4.570 6.943 1 U 8.740000E+06 0.000000E+00 e 0 0 0 186 4.578 2.231 1 U 3.420000E+07 0.000000E+00 e 0 0 0 187 4.583 2.079 1 U 9.620000E+06 0.000000E+00 e 0 0 0 188 4.583 1.856 1 U 7.500000E+06 0.000000E+00 e 0 0 0 189 4.580 1.694 1 U 5.430000E+06 0.000000E+00 e 0 0 0 190 4.579 0.966 1 U 2.520000E+07 0.000000E+00 e 0 0 0 191 1.880 2.596 1 U 6.880000E+06 0.000000E+00 e 0 0 0 192 1.658 2.594 1 U 1.040000E+07 0.000000E+00 e 0 0 0 193 1.643 2.045 1 U 1.790000E+08 0.000000E+00 e 0 0 0 194 1.880 3.403 1 U 7.510000E+06 0.000000E+00 e 0 0 0 195 1.882 3.505 1 U 1.630000E+07 0.000000E+00 e 0 0 0 196 1.656 3.404 1 U 1.520000E+07 0.000000E+00 e 0 0 0 197 1.667 3.508 1 U 1.340000E+06 0.000000E+00 e 0 0 0 198 2.005 3.400 1 U 7.260000E+06 0.000000E+00 e 0 0 0 199 2.004 3.504 1 U 2.520000E+07 0.000000E+00 e 0 0 0 200 2.096 3.385 1 U 1.800000E+07 0.000000E+00 e 0 0 0 201 2.086 3.522 1 U 7.390000E+06 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6.902 1.395 1 U 4.710000E+06 0.000000E+00 e 0 0 0 221 6.716 1.320 1 U 3.880000E+06 0.000000E+00 e 0 0 0 222 6.904 4.464 1 U 4.210000E+06 0.000000E+00 e 0 0 0 223 6.715 4.831 1 U 6.620000E+06 0.000000E+00 e 0 0 0 224 6.901 5.027 1 U 1.620000E+06 0.000000E+00 e 0 0 0 225 7.693 5.026 1 U 1.950000E+06 0.000000E+00 e 0 0 0 226 2.178 0.899 1 U 3.410000E+07 0.000000E+00 e 0 0 0 227 2.185 0.996 1 U 2.290000E+07 0.000000E+00 e 0 0 0 228 2.042 1.059 1 U 2.700000E+07 0.000000E+00 e 0 0 0 229 2.042 0.966 1 U 4.800000E+07 0.000000E+00 e 0 0 0 230 2.231 3.617 1 U 2.450000E+06 0.000000E+00 e 0 0 0 231 2.169 3.616 1 U 2.170000E+07 0.000000E+00 e 0 0 0 232 2.245 3.761 1 U 1.520000E+07 0.000000E+00 e 0 0 0 233 2.159 3.755 1 U 8.580000E+06 0.000000E+00 e 0 0 0 234 2.079 3.802 1 U 4.140000E+06 0.000000E+00 e 0 0 0 235 2.087 3.744 1 U 2.740000E+06 0.000000E+00 e 0 0 0 236 2.017 3.740 1 U 1.640000E+07 0.000000E+00 e 0 0 0 237 2.022 3.805 1 U 1.180000E+07 0.000000E+00 e 0 0 0 238 2.014 3.618 1 U 7.260000E+06 0.000000E+00 e 0 0 0 239 2.167 4.172 1 U 6.250000E+06 0.000000E+00 e 0 0 0 240 2.039 4.155 1 U 1.180000E+07 0.000000E+00 e 0 0 0 241 2.041 6.711 1 U 2.100000E+07 0.000000E+00 e 0 0 0 242 2.176 6.900 1 U 1.780000E+07 0.000000E+00 e 0 0 0 243 1.931 6.920 1 U 3.720000E+06 0.000000E+00 e 0 0 0 244 1.967 7.199 1 U 2.420000E+06 0.000000E+00 e 0 0 0 245 1.865 6.923 1 U 1.380000E+07 0.000000E+00 e 0 0 0 246 1.823 7.462 1 U 1.470000E+07 0.000000E+00 e 0 0 0 247 1.965 7.461 1 U 2.190000E+07 0.000000E+00 e 0 0 0 248 4.346 7.198 1 U 2.490000E+06 0.000000E+00 e 0 0 0 249 4.344 7.461 1 U 9.910000E+06 0.000000E+00 e 0 0 0 250 4.580 7.693 1 U 3.660000E+06 0.000000E+00 e 0 0 0 251 5.033 6.899 1 U 7.770000E+06 0.000000E+00 e 0 0 0 252 5.033 7.694 1 U 8.620000E+06 0.000000E+00 e 0 0 0 253 5.355 6.927 1 U 7.670000E+06 0.000000E+00 e 0 0 0 254 5.380 6.711 1 U 3.410000E+06 0.000000E+00 e 0 0 0 255 4.152 6.713 1 U 1.080000E+07 0.000000E+00 e 0 0 0 256 4.160 6.903 1 U 9.780000E+06 0.000000E+00 e 0 0 0 257 4.151 7.460 1 U 3.620000E+06 0.000000E+00 e 0 0 0 258 4.156 3.119 1 U 1.250000E+08 0.000000E+00 e 0 0 0 259 4.159 2.175 1 U 8.100000E+06 0.000000E+00 e 0 0 0 260 4.152 2.035 1 U 8.490000E+06 0.000000E+00 e 0 0 0 261 4.115 1.779 1 U 5.150000E+06 0.000000E+00 e 0 0 0 262 4.105 1.684 1 U 4.620000E+06 0.000000E+00 e 0 0 0 263 4.103 1.384 1 U 1.180000E+07 0.000000E+00 e 0 0 0 264 4.110 1.271 1 U 1.790000E+07 0.000000E+00 e 0 0 0 265 4.102 0.977 1 U 2.650000E+06 0.000000E+00 e 0 0 0 266 4.103 0.856 1 U 2.550000E+07 0.000000E+00 e 0 0 0 267 4.159 0.900 1 U 2.190000E+07 0.000000E+00 e 0 0 0 268 4.155 0.990 1 U 3.410000E+07 0.000000E+00 e 0 0 0 269 4.151 1.059 1 U 2.670000E+07 0.000000E+00 e 0 0 0 270 4.285 0.856 1 U 1.170000E+07 0.000000E+00 e 0 0 0 271 4.287 0.990 1 U 2.820000E+06 0.000000E+00 e 0 0 0 272 4.286 1.271 1 U 4.460000E+07 0.000000E+00 e 0 0 0 273 4.344 0.917 1 U 3.220000E+07 0.000000E+00 e 0 0 0 274 4.343 0.988 1 U 4.660000E+06 0.000000E+00 e 0 0 0 275 4.345 1.673 1 U 2.460000E+07 0.000000E+00 e 0 0 0 276 4.287 1.670 1 U 2.930000E+06 0.000000E+00 e 0 0 0 277 4.287 1.769 1 U 2.900000E+06 0.000000E+00 e 0 0 0 278 4.344 1.822 1 U 6.140000E+06 0.000000E+00 e 0 0 0 279 4.284 1.882 1 U 1.590000E+06 0.000000E+00 e 0 0 0 280 4.288 2.000 1 U 4.090000E+07 0.000000E+00 e 0 0 0 281 4.345 1.968 1 U 4.010000E+06 0.000000E+00 e 0 0 0 282 3.110 7.463 1 U 3.420000E+07 0.000000E+00 e 0 0 0 283 3.122 6.922 1 U 2.540000E+07 0.000000E+00 e 0 0 0 284 3.120 0.902 1 U 2.860000E+07 0.000000E+00 e 0 0 0 285 3.110 0.973 1 U 5.520000E+07 0.000000E+00 e 0 0 0 286 3.121 1.627 1 U 7.740000E+07 0.000000E+00 e 0 0 0 287 3.121 1.382 1 U 2.070000E+07 0.000000E+00 e 0 0 0 288 3.112 1.425 1 U 2.600000E+07 0.000000E+00 e 0 0 0 289 3.110 1.647 1 U 9.190000E+07 0.000000E+00 e 0 0 0 290 1.003 6.898 1 U 3.180000E+07 0.000000E+00 e 0 0 0 291 0.904 6.899 1 U 4.430000E+06 0.000000E+00 e 0 0 0 292 1.057 6.711 1 U 3.690000E+07 0.000000E+00 e 0 0 0 293 0.917 7.459 1 U 4.430000E+06 0.000000E+00 e 0 0 0 294 0.924 5.539 1 U 5.190000E+07 0.000000E+00 e 0 0 0 295 0.972 5.539 1 U 3.620000E+06 0.000000E+00 e 0 0 0 296 0.931 5.349 1 U 1.070000E+07 0.000000E+00 e 0 0 0 297 0.848 5.353 1 U 4.530000E+07 0.000000E+00 e 0 0 0 298 0.815 5.354 1 U 3.280000E+07 0.000000E+00 e 0 0 0 299 0.815 4.918 1 U 1.290000E+05 0.000000E+00 e 0 0 0 300 0.925 4.921 1 U 1.040000E+07 0.000000E+00 e 0 0 0 301 1.429 5.540 1 U 5.370000E+06 0.000000E+00 e 0 0 0 302 1.638 5.548 1 U 9.270000E+05 0.000000E+00 e 0 0 0 303 2.044 5.539 1 U 2.080000E+07 0.000000E+00 e 0 0 0 304 1.870 5.353 1 U 1.730000E+07 0.000000E+00 e 0 0 0 305 1.623 5.367 1 U 1.460000E+06 0.000000E+00 e 0 0 0 306 1.378 5.352 1 U 5.860000E+06 0.000000E+00 e 0 0 0 307 3.123 0.832 1 U 1.930000E+06 0.000000E+00 e 0 0 0 308 3.110 1.069 1 U 7.370000E+06 0.000000E+00 e 0 0 0 309 3.122 1.862 1 U 1.290000E+07 0.000000E+00 e 0 0 0 310 3.110 1.817 1 U 3.250000E+07 0.000000E+00 e 0 0 0 311 3.109 2.024 1 U 6.840000E+06 0.000000E+00 e 0 0 0 312 2.045 1.646 1 U 1.470000E+08 0.000000E+00 e 0 0 0 313 2.048 1.413 1 U 2.030000E+06 0.000000E+00 e 0 0 0 314 1.866 1.391 1 U 2.120000E+07 0.000000E+00 e 0 0 0 315 1.884 1.645 1 U 1.270000E+08 0.000000E+00 e 0 0 0 316 1.865 0.975 1 U 1.970000E+07 0.000000E+00 e 0 0 0 317 1.870 0.847 1 U 1.590000E+07 0.000000E+00 e 0 0 0 318 1.932 0.813 1 U 1.590000E+07 0.000000E+00 e 0 0 0 319 1.934 0.936 1 U 4.300000E+06 0.000000E+00 e 0 0 0 320 1.965 0.989 1 U 2.550000E+07 0.000000E+00 e 0 0 0 321 1.966 1.322 1 U 2.930000E+07 0.000000E+00 e 0 0 0 322 1.931 1.385 1 U 2.080000E+07 0.000000E+00 e 0 0 0 323 2.009 2.258 1 U 7.640000E+07 0.000000E+00 e 0 0 0 324 2.001 2.592 1 U 9.110000E+07 0.000000E+00 e 0 0 0 325 1.996 4.292 1 U 1.770000E+07 0.000000E+00 e 0 0 0 326 1.957 4.355 1 U 3.970000E+06 0.000000E+00 e 0 0 0 327 2.018 4.577 1 U 1.000000E+07 0.000000E+00 e 0 0 0 328 2.096 4.578 1 U 6.300000E+06 0.000000E+00 e 0 0 0 329 2.151 4.579 1 U 2.090000E+07 0.000000E+00 e 0 0 0 330 2.231 4.577 1 U 2.810000E+07 0.000000E+00 e 0 0 0 331 2.039 7.478 1 U 1.350000E+06 0.000000E+00 e 0 0 0 332 1.932 8.159 1 U 1.780000E+07 0.000000E+00 e 0 0 0 333 1.733 8.043 1 U 6.240000E+06 0.000000E+00 e 0 0 0 334 1.647 8.044 1 U 1.590000E+07 0.000000E+00 e 0 0 0 335 1.774 5.821 1 U 1.700000E+07 0.000000E+00 e 0 0 0 336 1.689 5.821 1 U 1.930000E+07 0.000000E+00 e 0 0 0 337 1.731 4.721 1 U 6.230000E+06 0.000000E+00 e 0 0 0 338 1.931 4.915 1 U 1.030000E+06 0.000000E+00 e 0 0 0 339 1.639 4.732 1 U 6.190000E+06 0.000000E+00 e 0 0 0 340 1.707 4.577 1 U 5.810000E+06 0.000000E+00 e 0 0 0 341 1.791 4.578 1 U 7.210000E+06 0.000000E+00 e 0 0 0 342 1.866 4.577 1 U 7.140000E+06 0.000000E+00 e 0 0 0 343 1.823 4.344 1 U 7.280000E+06 0.000000E+00 e 0 0 0 344 1.674 4.343 1 U 1.910000E+07 0.000000E+00 e 0 0 0 345 1.660 4.283 1 U 9.410000E+04 0.000000E+00 e 0 0 0 346 1.690 4.108 1 U 5.590000E+06 0.000000E+00 e 0 0 0 347 1.772 4.107 1 U 5.520000E+06 0.000000E+00 e 0 0 0 348 1.788 3.755 1 U 1.790000E+06 0.000000E+00 e 0 0 0 349 1.792 3.616 1 U 7.180000E+06 0.000000E+00 e 0 0 0 350 2.248 3.808 1 U 4.800000E+06 0.000000E+00 e 0 0 0 351 2.458 3.504 1 U 6.590000E+05 0.000000E+00 e 0 0 0 352 2.453 3.384 1 U 2.100000E+06 0.000000E+00 e 0 0 0 353 1.806 3.402 1 U 6.490000E+05 0.000000E+00 e 0 0 0 354 1.806 3.503 1 U 5.450000E+06 0.000000E+00 e 0 0 0 355 1.630 1.876 1 U 1.180000E+08 0.000000E+00 e 0 0 0 356 1.786 1.271 1 U 8.350000E+06 0.000000E+00 e 0 0 0 357 1.782 0.853 1 U 2.980000E+07 0.000000E+00 e 0 0 0 358 6.924 1.925 1 U 3.100000E+06 0.000000E+00 e 0 0 0 359 6.901 1.929 1 U 2.350000E+06 0.000000E+00 e 0 0 0 360 6.923 1.395 1 U 4.200000E+06 0.000000E+00 e 0 0 0 361 6.879 0.985 1 U 6.280000E+05 0.000000E+00 e 0 0 0 362 1.707 6.923 1 U 5.700000E+06 0.000000E+00 e 0 0 0 363 0.979 5.841 1 U 3.460000E+06 0.000000E+00 e 0 0 0 364 0.858 5.841 1 U 2.240000E+06 0.000000E+00 e 0 0 0 365 0.862 4.107 1 U 4.650000E+07 0.000000E+00 e 0 0 0 366 0.861 4.287 1 U 8.710000E+06 0.000000E+00 e 0 0 0 367 0.976 4.155 1 U 3.050000E+07 0.000000E+00 e 0 0 0 368 1.005 4.159 1 U 2.250000E+07 0.000000E+00 e 0 0 0 369 1.057 4.153 1 U 4.210000E+07 0.000000E+00 e 0 0 0 370 0.999 4.728 1 U 4.210000E+07 0.000000E+00 e 0 0 0 371 0.961 4.576 1 U 4.500000E+07 0.000000E+00 e 0 0 0 372 1.144 4.741 1 U 1.430000E+07 0.000000E+00 e 0 0 0 373 0.983 4.321 1 U 1.010000E+07 0.000000E+00 e 0 0 0 374 0.913 4.344 1 U 4.860000E+07 0.000000E+00 e 0 0 0 375 1.267 4.288 1 U 2.430000E+07 0.000000E+00 e 0 0 0 376 1.144 3.384 1 U 3.410000E+07 0.000000E+00 e 0 0 0 377 1.144 3.500 1 U 2.730000E+06 0.000000E+00 e 0 0 0 378 1.489 3.759 1 U 2.540000E+07 0.000000E+00 e 0 0 0 379 1.507 3.616 1 U 3.530000E+07 0.000000E+00 e 0 0 0 380 1.428 3.107 1 U 1.210000E+07 0.000000E+00 e 0 0 0 381 1.377 3.123 1 U 1.370000E+07 0.000000E+00 e 0 0 0 382 1.631 3.121 1 U 4.790000E+07 0.000000E+00 e 0 0 0 383 1.820 3.107 1 U 1.220000E+07 0.000000E+00 e 0 0 0 384 0.814 1.930 1 U 3.230000E+07 0.000000E+00 e 0 0 0 385 0.973 2.048 1 U 1.050000E+08 0.000000E+00 e 0 0 0 386 1.053 2.046 1 U 7.930000E+07 0.000000E+00 e 0 0 0 387 0.925 2.046 1 U 4.030000E+07 0.000000E+00 e 0 0 0 388 0.898 2.185 1 U 5.880000E+07 0.000000E+00 e 0 0 0 389 0.850 1.876 1 U 2.190000E+07 0.000000E+00 e 0 0 0 390 0.914 1.975 1 U 9.840000E+06 0.000000E+00 e 0 0 0 391 0.933 1.879 1 U 2.110000E+07 0.000000E+00 e 0 0 0 392 0.982 1.970 1 U 2.850000E+07 0.000000E+00 e 0 0 0 393 0.856 1.788 1 U 5.150000E+07 0.000000E+00 e 0 0 0 394 0.991 1.852 1 U 3.520000E+07 0.000000E+00 e 0 0 0 395 0.909 1.833 1 U 7.160000E+07 0.000000E+00 e 0 0 0 396 0.848 1.629 1 U 7.390000E+06 0.000000E+00 e 0 0 0 397 0.814 1.604 1 U 3.820000E+07 0.000000E+00 e 0 0 0 398 0.956 1.507 1 U 5.740000E+07 0.000000E+00 e 0 0 0 399 0.962 1.436 1 U 1.030000E+08 0.000000E+00 e 0 0 0 400 0.916 1.674 1 U 3.980000E+07 0.000000E+00 e 0 0 0 401 0.953 1.728 1 U 8.700000E+07 0.000000E+00 e 0 0 0 402 0.994 1.739 1 U 7.320000E+07 0.000000E+00 e 0 0 0 403 0.808 1.521 1 U 6.760000E+07 0.000000E+00 e 0 0 0 404 0.856 1.519 1 U 3.130000E+06 0.000000E+00 e 0 0 0 405 0.843 1.389 1 U 6.690000E+07 0.000000E+00 e 0 0 0 406 0.813 1.802 1 U 2.590000E+06 0.000000E+00 e 0 0 0 407 7.198 1.137 1 U 5.980000E+05 0.000000E+00 e 0 0 0 408 7.199 0.994 1 U 6.220000E+05 0.000000E+00 e 0 0 0 409 4.749 8.043 1 U 4.690000E+07 0.000000E+00 e 0 0 0 410 4.709 8.056 1 U 5.100000E+06 0.000000E+00 e 0 0 0 411 4.747 1.810 1 U 4.280000E+07 0.000000E+00 e 0 0 0 412 4.751 1.600 1 U 8.990000E+06 0.000000E+00 e 0 0 0 413 4.751 1.519 1 U 2.670000E+06 0.000000E+00 e 0 0 0 414 4.744 1.003 1 U 2.980000E+07 0.000000E+00 e 0 0 0 415 1.599 4.755 1 U 1.500000E+06 0.000000E+00 e 0 0 0 416 1.519 4.750 1 U 6.800000E+06 0.000000E+00 e 0 0 0 417 1.530 1.131 1 U 1.320000E+07 0.000000E+00 e 0 0 0 418 1.523 0.994 1 U 6.690000E+07 0.000000E+00 e 0 0 0 419 1.526 0.808 1 U 3.340000E+07 0.000000E+00 e 0 0 0 420 1.144 1.607 1 U 1.050000E+08 0.000000E+00 e 0 0 0 421 1.147 1.014 1 U 1.900000E+07 0.000000E+00 e 0 0 0 422 1.144 0.813 1 U 1.530000E+07 0.000000E+00 e 0 0 0 423 1.507 4.719 1 U 2.300000E+07 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2.593 1.789 1 U 2.110000E+06 0.000000E+00 e 0 0 0 443 2.589 1.879 1 U 9.420000E+06 0.000000E+00 e 0 0 0 444 2.596 4.289 1 U 8.540000E+06 0.000000E+00 e 0 0 0 445 1.501 3.149 1 U 6.230000E+07 0.000000E+00 e 0 0 0 446 1.498 7.696 1 U 4.230000E+06 0.000000E+00 e 0 0 0 447 2.454 1.997 1 U 7.120000E+06 0.000000E+00 e 0 0 0 448 2.464 2.095 1 U 1.330000E+07 0.000000E+00 e 0 0 0 449 4.921 1.489 1 U 1.480000E+07 0.000000E+00 e 0 0 0 450 4.922 1.931 1 U 5.620000E+06 0.000000E+00 e 0 0 0 451 5.351 1.925 1 U 3.300000E+06 0.000000E+00 e 0 0 0 452 4.921 1.384 1 U 7.550000E+06 0.000000E+00 e 0 0 0 453 4.741 0.920 1 U 2.470000E+06 0.000000E+00 e 0 0 0 454 4.718 0.949 1 U 3.790000E+06 0.000000E+00 e 0 0 0 455 8.151 2.608 1 U 9.060000E+05 0.000000E+00 e 0 0 0 456 3.762 0.809 1 U 1.100000E+06 0.000000E+00 e 0 0 0 457 1.933 1.485 1 U 1.400000E+08 0.000000E+00 e 0 0 0 458 1.866 1.508 1 U 1.530000E+08 0.000000E+00 e 0 0 0 459 1.966 1.673 1 U 1.670000E+08 0.000000E+00 e 0 0 0 460 1.689 1.271 1 U 1.100000E+08 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3.114 4.155 1 U 1.730000E+08 0.000000E+00 e 0 0 0 480 2.180 2.000 1 U 8.000000E+07 0.000000E+00 e 0 0 0 481 8.039 1.155 1 U 1.040000E+06 0.000000E+00 e 0 0 0 482 7.697 1.941 1 U 8.290000E+05 0.000000E+00 e 0 0 0 483 7.203 1.678 1 U 1.170000E+06 0.000000E+00 e 0 0 0 484 8.039 0.952 1 U 8.340000E+05 0.000000E+00 e 0 0 0 485 8.150 7.692 1 U 2.100000E+06 0.000000E+00 e 0 0 0 486 7.688 8.161 1 U 1.470000E+06 0.000000E+00 e 0 0 0 487 5.826 8.160 1 U 1.120000E+06 0.000000E+00 e 0 0 0 488 6.927 8.157 1 U 3.550000E+05 0.000000E+00 e 0 0 0 489 4.159 8.422 1 U 1.440000E+06 0.000000E+00 e 0 0 0 490 1.326 7.459 1 U 5.790000E+06 0.000000E+00 e 0 0 0 491 1.401 3.478 1 U 2.100000E+06 0.000000E+00 e 0 0 0 492 1.785 2.844 1 U 9.570000E+06 0.000000E+00 e 0 0 0 493 3.617 1.632 1 U 1.340000E+06 0.000000E+00 e 0 0 0 494 3.755 1.371 1 U 1.290000E+06 0.000000E+00 e 0 0 0 495 4.155 3.189 1 U 4.400000E+06 0.000000E+00 e 0 0 0 496 3.178 4.156 1 U 2.700000E+06 0.000000E+00 e 0 0 0 497 8.425 7.202 1 U 5.470000E+05 0.000000E+00 e 0 0 0 498 7.463 8.418 1 U 1.160000E+06 0.000000E+00 e 0 0 0 499 8.044 5.545 1 U 4.170000E+05 0.000000E+00 e 0 0 0 500 5.537 4.133 1 U 1.100000E+06 0.000000E+00 e 0 0 0 501 4.142 5.548 1 U 3.180000E+05 0.000000E+00 e 0 0 0 502 4.576 8.419 1 U 1.930000E+06 0.000000E+00 e 0 0 0 503 4.574 7.020 1 U 1.600000E+06 0.000000E+00 e 0 0 0 504 1.646 0.956 1 U 4.870000E+07 0.000000E+00 e 0 0 0 505 1.689 0.985 1 U 4.110000E+07 0.000000E+00 e 0 0 0 506 1.714 0.969 1 U 6.270000E+07 0.000000E+00 e 0 0 0 507 1.965 6.709 1 U 7.930000E+05 0.000000E+00 e 0 0 0 508 1.323 0.817 1 U 2.030000E+07 0.000000E+00 e 0 0 0 509 2.849 1.788 1 U 2.020000E+07 0.000000E+00 e 0 0 0 510 2.234 2.845 1 U 1.180000E+07 0.000000E+00 e 0 0 0 511 2.850 2.235 1 U 3.290000E+07 0.000000E+00 e 0 0 0 512 2.849 1.336 1 U 1.480000E+07 0.000000E+00 e 0 0 0 513 2.851 0.818 1 U 2.270000E+07 0.000000E+00 e 0 0 0 514 0.814 2.854 1 U 1.490000E+07 0.000000E+00 e 0 0 0 515 0.914 3.109 1 U 8.840000E+06 0.000000E+00 e 0 0 0 516 0.903 3.124 1 U 2.330000E+07 0.000000E+00 e 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 H 2 'not observed' 9615 Hz . . . 4.97 . . 31001 1 2 . . H 1 H 1 'not observed' 9597 Hz . . . 4.97 . . 31001 1 stop_ save_