######################### # 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 30997 _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 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 '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 1.954 1.267 1 U 1.370000E+08 0.000000E+00 e 0 0 0 2 2.282 4.222 1 U 3.120000E+07 0.000000E+00 e 0 0 0 3 3.896 8.407 1 U 2.050000E+07 0.000000E+00 e 0 0 0 4 1.507 8.407 1 U 5.470000E+07 0.000000E+00 e 0 0 0 5 1.415 8.407 1 U 1.490000E+07 0.000000E+00 e 0 0 0 6 1.324 8.407 1 U 1.010000E+07 0.000000E+00 e 0 0 0 7 1.772 8.407 1 U 3.900000E+07 0.000000E+00 e 0 0 0 8 4.483 8.407 1 U 7.540000E+07 0.000000E+00 e 0 0 0 9 7.245 8.408 1 U 6.700000E+06 0.000000E+00 e 0 0 0 10 7.182 8.408 1 U 4.340000E+06 0.000000E+00 e 0 0 0 11 7.855 8.407 1 U 8.640000E+06 0.000000E+00 e 0 0 0 12 7.946 8.398 1 U 6.950000E+06 0.000000E+00 e 0 0 0 13 0.781 8.407 1 U 4.850000E+06 0.000000E+00 e 0 0 0 14 0.913 8.407 1 U 8.140000E+06 0.000000E+00 e 0 0 0 15 4.813 7.949 1 U 1.520000E+07 0.000000E+00 e 0 0 0 16 4.066 7.652 1 U 1.870000E+07 0.000000E+00 e 0 0 0 17 1.273 7.652 1 U 6.050000E+07 0.000000E+00 e 0 0 0 18 4.201 6.783 1 U 1.840000E+07 0.000000E+00 e 0 0 0 19 4.484 6.407 1 U 2.300000E+07 0.000000E+00 e 0 0 0 20 2.140 4.715 1 U 3.260000E+07 0.000000E+00 e 0 0 0 21 1.842 4.721 1 U 1.640000E+07 0.000000E+00 e 0 0 0 22 1.978 4.721 1 U 1.510000E+07 0.000000E+00 e 0 0 0 23 3.718 4.723 1 U 4.380000E+06 0.000000E+00 e 0 0 0 24 1.359 3.095 1 U 7.120000E+07 0.000000E+00 e 0 0 0 25 6.407 3.005 1 U 3.520000E+07 0.000000E+00 e 0 0 0 26 6.781 3.005 1 U 4.610000E+06 0.000000E+00 e 0 0 0 27 5.163 3.005 1 U 1.460000E+07 0.000000E+00 e 0 0 0 28 4.527 3.018 1 U 6.990000E+06 0.000000E+00 e 0 0 0 29 4.201 3.005 1 U 1.620000E+08 0.000000E+00 e 0 0 0 30 2.140 3.094 1 U 1.120000E+07 0.000000E+00 e 0 0 0 31 1.975 3.094 1 U 3.390000E+06 0.000000E+00 e 0 0 0 32 1.845 3.097 1 U 2.970000E+06 0.000000E+00 e 0 0 0 33 1.271 3.096 1 U 9.960000E+06 0.000000E+00 e 0 0 0 34 1.419 3.097 1 U 2.970000E+06 0.000000E+00 e 0 0 0 35 1.978 3.719 1 U 3.910000E+07 0.000000E+00 e 0 0 0 36 1.970 3.584 1 U 1.050000E+07 0.000000E+00 e 0 0 0 37 0.864 3.719 1 U 7.070000E+06 0.000000E+00 e 0 0 0 38 0.861 3.584 1 U 7.040000E+06 0.000000E+00 e 0 0 0 39 1.271 3.583 1 U 2.960000E+07 0.000000E+00 e 0 0 0 40 1.270 3.719 1 U 1.040000E+07 0.000000E+00 e 0 0 0 41 1.840 3.719 1 U 3.770000E+06 0.000000E+00 e 0 0 0 42 1.841 3.583 1 U 1.030000E+07 0.000000E+00 e 0 0 0 43 2.138 3.719 1 U 2.030000E+07 0.000000E+00 e 0 0 0 44 2.139 3.581 1 U 2.860000E+07 0.000000E+00 e 0 0 0 45 4.814 3.583 1 U 2.300000E+07 0.000000E+00 e 0 0 0 46 4.814 3.719 1 U 7.450000E+07 0.000000E+00 e 0 0 0 47 3.589 1.846 1 U 7.750000E+06 0.000000E+00 e 0 0 0 48 3.584 2.135 1 U 1.890000E+07 0.000000E+00 e 0 0 0 49 1.845 2.134 1 U 1.020000E+08 0.000000E+00 e 0 0 0 50 2.138 1.848 1 U 1.010000E+08 0.000000E+00 e 0 0 0 51 1.978 1.854 1 U 3.130000E+07 0.000000E+00 e 0 0 0 52 3.577 1.991 1 U 5.110000E+06 0.000000E+00 e 0 0 0 53 3.582 1.971 1 U 5.400000E+06 0.000000E+00 e 0 0 0 54 3.716 1.981 1 U 2.180000E+07 0.000000E+00 e 0 0 0 55 4.720 2.134 1 U 3.020000E+07 0.000000E+00 e 0 0 0 56 4.719 1.849 1 U 1.080000E+07 0.000000E+00 e 0 0 0 57 1.360 4.812 1 U 5.050000E+07 0.000000E+00 e 0 0 0 58 3.098 7.652 1 U 2.660000E+07 0.000000E+00 e 0 0 0 59 4.721 7.651 1 U 3.520000E+06 0.000000E+00 e 0 0 0 60 4.813 7.652 1 U 1.470000E+07 0.000000E+00 e 0 0 0 61 1.346 7.653 1 U 4.940000E+06 0.000000E+00 e 0 0 0 62 0.877 7.652 1 U 3.320000E+06 0.000000E+00 e 0 0 0 63 1.963 7.653 1 U 3.180000E+06 0.000000E+00 e 0 0 0 64 6.782 7.652 1 U 4.380000E+07 0.000000E+00 e 0 0 0 65 6.944 7.654 1 U 8.020000E+06 0.000000E+00 e 0 0 0 66 7.096 7.652 1 U 3.590000E+06 0.000000E+00 e 0 0 0 67 1.978 6.784 1 U 4.780000E+07 0.000000E+00 e 0 0 0 68 1.956 4.813 1 U 1.440000E+07 0.000000E+00 e 0 0 0 69 1.267 4.818 1 U 1.920000E+07 0.000000E+00 e 0 0 0 70 0.874 4.814 1 U 3.920000E+07 0.000000E+00 e 0 0 0 71 0.756 5.161 1 U 3.940000E+07 0.000000E+00 e 0 0 0 72 0.892 5.162 1 U 3.330000E+06 0.000000E+00 e 0 0 0 73 1.346 5.158 1 U 4.440000E+06 0.000000E+00 e 0 0 0 74 1.314 5.170 1 U 5.250000E+06 0.000000E+00 e 0 0 0 75 1.278 5.159 1 U 5.260000E+06 0.000000E+00 e 0 0 0 76 1.599 5.166 1 U 3.930000E+07 0.000000E+00 e 0 0 0 77 1.955 5.162 1 U 4.120000E+06 0.000000E+00 e 0 0 0 78 3.007 5.159 1 U 7.450000E+06 0.000000E+00 e 0 0 0 79 0.877 3.097 1 U 2.230000E+06 0.000000E+00 e 0 0 0 80 0.736 1.952 1 U 1.540000E+07 0.000000E+00 e 0 0 0 81 0.736 1.940 1 U 1.090000E+07 0.000000E+00 e 0 0 0 82 0.876 1.979 1 U 2.680000E+07 0.000000E+00 e 0 0 0 83 0.810 1.979 1 U 2.480000E+07 0.000000E+00 e 0 0 0 84 6.782 1.978 1 U 3.080000E+07 0.000000E+00 e 0 0 0 85 4.202 1.977 1 U 1.180000E+07 0.000000E+00 e 0 0 0 86 3.004 1.982 1 U 4.250000E+06 0.000000E+00 e 0 0 0 87 4.813 1.970 1 U 7.890000E+06 0.000000E+00 e 0 0 0 88 0.808 3.005 1 U 3.500000E+07 0.000000E+00 e 0 0 0 89 1.313 3.005 1 U 2.350000E+07 0.000000E+00 e 0 0 0 90 1.601 3.005 1 U 1.310000E+08 0.000000E+00 e 0 0 0 91 0.899 3.005 1 U 3.460000E+07 0.000000E+00 e 0 0 0 92 1.977 3.005 1 U 1.210000E+07 0.000000E+00 e 0 0 0 93 3.007 6.410 1 U 1.910000E+07 0.000000E+00 e 0 0 0 94 4.201 6.407 1 U 3.470000E+06 0.000000E+00 e 0 0 0 95 5.163 6.409 1 U 2.280000E+07 0.000000E+00 e 0 0 0 96 0.738 6.409 1 U 7.640000E+06 0.000000E+00 e 0 0 0 97 0.901 6.408 1 U 6.390000E+06 0.000000E+00 e 0 0 0 98 1.274 6.410 1 U 9.250000E+06 0.000000E+00 e 0 0 0 99 1.479 6.409 1 U 1.630000E+07 0.000000E+00 e 0 0 0 100 1.416 6.411 1 U 5.480000E+06 0.000000E+00 e 0 0 0 101 1.603 6.409 1 U 1.420000E+07 0.000000E+00 e 0 0 0 102 1.955 6.407 1 U 7.640000E+06 0.000000E+00 e 0 0 0 103 5.162 1.598 1 U 3.770000E+07 0.000000E+00 e 0 0 0 104 5.163 1.308 1 U 5.070000E+06 0.000000E+00 e 0 0 0 105 5.163 0.894 1 U 3.360000E+06 0.000000E+00 e 0 0 0 106 5.163 0.809 1 U 4.620000E+06 0.000000E+00 e 0 0 0 107 5.163 0.766 1 U 3.860000E+07 0.000000E+00 e 0 0 0 108 5.163 0.736 1 U 3.170000E+07 0.000000E+00 e 0 0 0 109 6.406 1.601 1 U 1.020000E+07 0.000000E+00 e 0 0 0 110 6.408 1.270 1 U 8.270000E+06 0.000000E+00 e 0 0 0 111 6.409 0.905 1 U 3.880000E+06 0.000000E+00 e 0 0 0 112 6.406 0.735 1 U 8.810000E+06 0.000000E+00 e 0 0 0 113 6.782 0.811 1 U 4.960000E+06 0.000000E+00 e 0 0 0 114 6.781 0.877 1 U 3.280000E+07 0.000000E+00 e 0 0 0 115 3.007 1.598 1 U 5.840000E+07 0.000000E+00 e 0 0 0 116 3.006 1.313 1 U 1.230000E+07 0.000000E+00 e 0 0 0 117 3.009 1.405 1 U 2.770000E+06 0.000000E+00 e 0 0 0 118 3.006 1.479 1 U 3.350000E+06 0.000000E+00 e 0 0 0 119 3.007 0.882 1 U 8.830000E+06 0.000000E+00 e 0 0 0 120 3.007 0.811 1 U 2.170000E+07 0.000000E+00 e 0 0 0 121 1.385 0.873 1 U 8.020000E+06 0.000000E+00 e 0 0 0 122 1.347 0.869 1 U 2.430000E+07 0.000000E+00 e 0 0 0 123 1.348 0.740 1 U 3.340000E+07 0.000000E+00 e 0 0 0 124 1.274 0.738 1 U 2.570000E+07 0.000000E+00 e 0 0 0 125 0.760 1.598 1 U 1.470000E+07 0.000000E+00 e 0 0 0 126 0.901 1.598 1 U 6.180000E+07 0.000000E+00 e 0 0 0 127 1.316 1.595 1 U 3.590000E+07 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0.878 4.198 1 U 2.980000E+07 0.000000E+00 e 0 0 0 258 0.808 4.198 1 U 2.120000E+07 0.000000E+00 e 0 0 0 259 1.275 3.288 1 U 6.810000E+06 0.000000E+00 e 0 0 0 260 1.274 3.205 1 U 2.740000E+07 0.000000E+00 e 0 0 0 261 3.587 4.815 1 U 1.740000E+07 0.000000E+00 e 0 0 0 262 3.715 4.815 1 U 6.020000E+07 0.000000E+00 e 0 0 0 263 3.095 4.813 1 U 5.980000E+06 0.000000E+00 e 0 0 0 264 3.098 4.721 1 U 5.980000E+07 0.000000E+00 e 0 0 0 265 4.720 3.095 1 U 1.280000E+08 0.000000E+00 e 0 0 0 266 4.812 3.094 1 U 6.840000E+06 0.000000E+00 e 0 0 0 267 3.100 2.136 1 U 4.630000E+06 0.000000E+00 e 0 0 0 268 3.099 1.357 1 U 5.320000E+07 0.000000E+00 e 0 0 0 269 3.897 1.338 1 U 2.160000E+07 0.000000E+00 e 0 0 0 270 4.225 1.322 1 U 4.760000E+07 0.000000E+00 e 0 0 0 271 4.225 1.506 1 U 8.100000E+06 0.000000E+00 e 0 0 0 272 0.737 3.580 1 U 2.120000E+06 0.000000E+00 e 0 0 0 273 1.954 3.888 1 U 2.370000E+06 0.000000E+00 e 0 0 0 274 6.407 4.197 1 U 3.690000E+06 0.000000E+00 e 0 0 0 275 6.782 4.070 1 U 5.410000E+06 0.000000E+00 e 0 0 0 276 6.782 4.198 1 U 1.660000E+07 0.000000E+00 e 0 0 0 277 7.649 3.095 1 U 4.270000E+07 0.000000E+00 e 0 0 0 278 8.405 4.481 1 U 3.940000E+07 0.000000E+00 e 0 0 0 279 6.407 4.483 1 U 1.690000E+07 0.000000E+00 e 0 0 0 280 7.951 4.814 1 U 1.280000E+07 0.000000E+00 e 0 0 0 281 7.650 4.812 1 U 1.170000E+07 0.000000E+00 e 0 0 0 282 7.649 4.721 1 U 3.650000E+06 0.000000E+00 e 0 0 0 283 6.782 4.813 1 U 1.230000E+07 0.000000E+00 e 0 0 0 284 6.407 5.161 1 U 1.980000E+07 0.000000E+00 e 0 0 0 285 7.649 4.071 1 U 1.560000E+07 0.000000E+00 e 0 0 0 286 8.795 4.456 1 U 3.400000E+06 0.000000E+00 e 0 0 0 287 4.715 3.586 1 U 4.040000E+06 0.000000E+00 e 0 0 0 288 4.601 3.899 1 U 3.640000E+06 0.000000E+00 e 0 0 0 289 4.607 4.069 1 U 6.720000E+06 0.000000E+00 e 0 0 0 290 4.814 4.296 1 U 1.620000E+07 0.000000E+00 e 0 0 0 291 4.718 4.292 1 U 2.870000E+06 0.000000E+00 e 0 0 0 292 4.819 4.474 1 U 4.030000E+06 0.000000E+00 e 0 0 0 293 4.880 4.563 1 U 3.070000E+06 0.000000E+00 e 0 0 0 294 4.718 4.564 1 U 5.580000E+06 0.000000E+00 e 0 0 0 295 4.813 5.148 1 U 1.870000E+07 0.000000E+00 e 0 0 0 296 1.273 4.073 1 U 5.640000E+07 0.000000E+00 e 0 0 0 297 4.813 6.784 1 U 1.360000E+07 0.000000E+00 e 0 0 0 298 4.066 6.784 1 U 5.260000E+06 0.000000E+00 e 0 0 0 299 7.362 7.948 1 U 8.790000E+06 0.000000E+00 e 0 0 0 300 8.397 7.949 1 U 1.100000E+07 0.000000E+00 e 0 0 0 301 7.650 6.784 1 U 4.090000E+07 0.000000E+00 e 0 0 0 302 8.796 6.784 1 U 1.010000E+07 0.000000E+00 e 0 0 0 303 0.815 6.784 1 U 4.840000E+06 0.000000E+00 e 0 0 0 304 0.878 6.784 1 U 3.860000E+07 0.000000E+00 e 0 0 0 305 1.274 6.784 1 U 1.390000E+07 0.000000E+00 e 0 0 0 306 2.137 4.813 1 U 3.100000E+06 0.000000E+00 e 0 0 0 307 4.223 3.284 1 U 2.210000E+06 0.000000E+00 e 0 0 0 308 4.225 3.205 1 U 2.100000E+06 0.000000E+00 e 0 0 0 309 1.461 3.005 1 U 6.630000E+06 0.000000E+00 e 0 0 0 310 8.407 1.409 1 U 8.550000E+06 0.000000E+00 e 0 0 0 311 8.405 1.507 1 U 2.340000E+07 0.000000E+00 e 0 0 0 312 6.407 1.952 1 U 5.650000E+06 0.000000E+00 e 0 0 0 313 5.163 1.953 1 U 2.870000E+06 0.000000E+00 e 0 0 0 314 3.716 0.864 1 U 1.010000E+07 0.000000E+00 e 0 0 0 315 3.586 0.863 1 U 8.390000E+06 0.000000E+00 e 0 0 0 316 2.282 2.024 1 U 1.600000E+08 0.000000E+00 e 0 0 0 317 7.649 1.271 1 U 4.650000E+07 0.000000E+00 e 0 0 0 318 7.649 1.356 1 U 4.710000E+06 0.000000E+00 e 0 0 0 319 0.913 3.896 1 U 2.410000E+06 0.000000E+00 e 0 0 0 320 1.980 2.133 1 U 1.720000E+08 0.000000E+00 e 0 0 0 321 2.138 1.983 1 U 1.130000E+08 0.000000E+00 e 0 0 0 322 1.776 2.025 1 U 2.020000E+07 0.000000E+00 e 0 0 0 323 1.694 2.029 1 U 7.100000E+06 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 . . 9615.385 Hz . . . 4.97 . . 30997 1 2 . . H 1 H . . 8802.817 Hz . . . 4.97 . . 30997 1 stop_ save_