######################### # 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 51326 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name HSQC _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 ; Assignment w1 w2 Height Volume A285HN-A285N 7.472 118.986 1.66E+12 1.00E+13 bx G266HN-G266N 7.371 107.129 4.07E+11 2.70E+12 bx G201HN-G201N 8.512 109.984 1.25E+12 7.48E+12 bx T197HN-T197N 8.557 112.601 1.10E+12 6.98E+12 bx A196HN-A196N 6.735 124.139 1.60E+12 9.30E+12 bx A180HN-A180N 8.261 122.098 1.37E+12 8.25E+12 bx K231HN-K231N 8.248 122.695 1.47E+12 9.06E+12 bx S205HN-S205N 9.144 111.868 7.50E+11 4.59E+12 bx D219HN-D219N 9.031 117.066 1.87E+12 1.07E+13 bx G240HN-G240N 7.572 107.607 1.57E+12 9.24E+12 bx L203HN-L203N 8.815 124.439 1.24E+12 7.34E+12 bx ?-? 9.095 127.328 1.43E+12 8.25E+12 bx K225HN-K225N 7.871 125.340 1.16E+12 7.29E+12 bx I204HN-I204N 7.856 123.600 6.67E+11 4.18E+12 bx A259HN-A259N 7.350 121.687 1.50E+12 8.86E+12 bx A222HN-A222N 7.515 121.070 1.61E+12 1.01E+13 bx S200HN-S200N 7.644 110.534 3.60E+11 3.54E+12 bx K214HN-K214N 8.949 129.211 5.26E+11 3.21E+12 bx E206HN-E206N 7.322 123.592 1.81E+12 1.07E+13 bx Q268HN-Q268N 9.019 123.658 8.72E+10 5.94E+11 bx A256HN-A256N 8.390 123.182 1.47E+12 8.88E+12 bx I233HN-I233N 7.463 123.146 9.52E+11 6.24E+12 bx L189HN-L189N 8.110 122.298 1.27E+12 7.90E+12 bx K271HN-K271N 8.005 122.387 1.24E+12 7.62E+12 bx D272HN-D272N 9.239 122.240 1.34E+12 7.98E+12 bx M282HN-M282N 8.698 122.178 1.11E+12 7.09E+12 bx Y220HN-Y220N 7.649 121.818 1.30E+12 7.68E+12 bx D229HN-D229N 6.966 121.861 1.08E+12 6.59E+12 bx F270HN-F270N 7.186 121.555 1.10E+12 6.63E+12 bx S178HN-S178N 8.741 121.344 4.64E+11 2.95E+12 bx D253HN-D253N 8.848 120.842 1.39E+12 8.49E+12 bx I228HN-I228N 8.941 121.157 8.08E+11 4.88E+12 bx I193HN-I193N 7.214 113.098 1.42E+12 8.48E+12 bx A192HN-A192N 7.386 116.483 2.21E+12 1.52E+13 bx N239HN-N239N 8.396 114.476 1.91E+12 1.11E+13 bx N263HN-N263N 7.521 113.393 1.43E+12 8.78E+12 bx S244HN-S244N 7.661 110.212 1.61E+12 9.91E+12 bx Y221HN-Y221N 6.899 113.929 9.64E+11 5.99E+12 bx Y181HN-Y181N 7.455 114.696 1.39E+12 8.92E+12 bx K250HN-K250N 7.595 115.001 1.88E+12 1.09E+13 bx Y217HN-Y217N 7.953 115.253 1.60E+12 9.55E+12 bx V215HN-V215N 7.585 115.765 1.56E+12 9.87E+12 bx V269HN-V269N 8.171 116.570 1.31E+12 8.21E+12 bx L207HN-L207N 9.074 116.518 1.32E+12 7.84E+12 bx Y262HN-Y262N 7.783 118.580 1.06E+12 6.61E+12 bx V194HN-V194N 8.234 115.924 1.25E+12 7.73E+12 bx Y281HN-Y281N 8.488 116.051 1.03E+12 6.54E+12 bx T261HN-T261N 7.979 115.859 1.14E+12 7.45E+12 bx K257HN-K257N 8.580 120.242 1.46E+12 9.01E+12 bx S275HN-S275N 8.523 118.804 1.51E+12 9.21E+12 bx N258HN-N258N 9.135 120.293 1.34E+12 8.18E+12 bx K283HN-K283N 8.356 120.573 1.25E+12 7.80E+12 bx A247HN-A247N 7.758 120.463 1.57E+12 1.04E+13 bx ?-? 7.791 120.586 1.90E+12 1.17E+13 bx M248HN-M248N 6.569 117.532 1.27E+12 8.11E+12 bx D251HN-D251N 6.889 121.449 1.46E+12 8.79E+12 bx Q209HN-Q209N 7.322 120.373 1.72E+12 1.03E+13 bx Q188HN-Q188N 7.920 120.488 1.71E+12 1.03E+13 bx K277HN-K277N 7.367 118.393 1.46E+12 9.00E+12 bx E286HN-E286N 7.564 118.020 1.48E+12 8.90E+12 bx K278HN-K278N 8.099 118.671 1.28E+12 7.69E+12 bx Q216HN-Q216N 7.137 117.284 1.24E+12 8.42E+12 bx S213HN-S213N 8.968 117.332 4.23E+11 2.81E+12 bx E187HN-E187N 8.655 116.900 1.47E+12 8.72E+12 bx L230HN-L230N 8.921 116.008 7.33E+11 4.62E+12 bx L190HN-L190N 8.134 117.438 1.27E+12 7.66E+12 bx L186HN-L186N 8.722 119.774 1.10E+12 6.76E+12 bx E264HN-E264N 8.692 118.862 1.59E+12 9.81E+12 bx R202HN-R202N 7.579 120.747 1.65E+12 9.64E+12 bx A234HN-A234N 8.516 120.723 2.73E+12 1.67E+13 bx E191HN-E191N 8.446 119.341 2.37E+12 1.52E+13 bx E226HN-E226N 8.417 119.260 2.47E+12 1.55E+13 bx I237HN-I237N 7.952 119.324 1.03E+12 6.89E+12 bx R236HN-R236N 8.115 120.887 1.19E+12 7.70E+12 bx S267HN-S267N 7.922 115.987 2.09E+12 1.33E+13 bx E291HN-E291N 8.125 127.200 3.65E+12 1.96E+13 bx F280HN-F280N 8.259 119.531 1.34E+12 8.54E+12 bx L254HN-L254N 7.656 123.311 1.68E+12 1.15E+13 bx I252HN-I252N 7.641 123.368 1.77E+12 1.23E+13 bx V195HN-V195N 7.738 110.284 1.36E+12 8.81E+12 bx T232HN-T232N 8.706 119.078 1.02E+12 8.18E+12 bx I287HN-I287N 7.885 117.093 1.24E+12 8.01E+12 bx K183HN-K183N 7.890 117.626 1.78E+12 1.10E+13 bx I185HN-I185N 7.745 120.072 1.62E+12 9.94E+12 bx E184HN-E184N 7.363 116.311 2.07E+12 1.49E+13 bx H289HN-H289N 7.788 117.723 1.70E+12 1.10E+13 bx I279HN-I279N 8.615 119.756 1.19E+12 7.52E+12 bx K284HN-K284N 8.141 121.255 1.74E+12 1.22E+13 bx L255HN-L255N 8.151 121.388 1.48E+12 1.09E+13 bx ?-? 8.015 118.819 2.69E+12 1.67E+13 bx Y242HN-Y242N 7.995 118.819 2.87E+12 1.78E+13 bx N198HN-N198N 8.520 120.580 2.01E+12 1.47E+13 bx Q238HN-Q238N 7.819 117.683 1.89E+12 1.24E+13 bx K210HN-K210N 7.826 114.341 2.26E+12 1.31E+13 bx F208HN-F208N 7.900 115.963 1.82E+12 1.16E+13 bx H246HN-H246N 8.074 119.527 3.86E+11 2.76E+12 bx ?-? 8.189 119.284 1.91E+12 1.34E+13 bx ?-? 7.743 117.638 6.00E+11 4.41E+12 bx E288HN-E288N 8.204 119.263 2.18E+12 1.47E+13 bx ?-? 8.206 120.331 8.70E+11 7.67E+12 bx A273HN-A273N 8.195 120.066 1.30E+12 8.72E+12 bx ?-? 8.030 117.482 1.11E+12 7.13E+12 bx ?-? 8.002 117.605 1.16E+12 7.93E+12 bx ?-? 8.762 117.671 2.46E+11 1.67E+12 bx I245HN-I245N 9.011 120.052 5.77E+11 3.71E+12 bx I223HN-I223N 7.082 115.758 1.17E+12 7.34E+12 bx Q235HN-Q235N 8.053 117.087 1.19E+12 7.35E+12 bx S241HN-S241N 8.323 115.141 1.63E+12 9.43E+12 bx I276HN-I276N 8.435 122.504 1.12E+12 6.82E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 1 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51326 1 2 $software_2 . . 51326 1 3 $software_3 . . 51326 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51326 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name HNcaCO _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 3 _Spectral_peak_list.Experiment_name '3D HNCACO' _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 ; Assignment w1 w2 w3 Height Volume A222HN-A222C-A222N 7.518 178.334 121.074 1.07E+12 1.37E+13 bx Y220HN-Y220C-Y220N 7.650 175.828 121.820 4.39E+11 5.52E+12 bx A285HN-A285C-A285N 7.475 179.580 119.000 8.57E+11 1.12E+13 bx L203HN-L203C-L203N 8.814 178.885 124.430 4.46E+11 5.34E+12 bx G201HN-G201C-G201N 8.515 173.605 109.983 2.73E+11 3.17E+12 bx S244HN-S244C-S244N 7.661 173.723 110.216 4.30E+11 6.12E+12 bx F208HN-F208C-F208N 7.904 175.053 115.957 7.28E+11 1.08E+13 bx E291HN-E291C-E291N 8.125 181.117 127.238 6.37E+12 7.18E+13 bx E184HN-E184C-E184N 7.360 179.703 116.291 1.01E+12 1.33E+13 bx R202HN-R202C-R202N 7.583 175.781 120.760 1.30E+12 1.61E+13 bx I245HN-I245C-I245N 9.011 177.864 120.030 9.81E+10 1.23E+12 bx D253HN-D253C-D253N 8.847 179.840 120.830 6.98E+11 9.23E+12 bx D251HN-D251C-D251N 6.892 178.021 121.336 3.11E+11 5.88E+12 bx E264HN-E264C-E264N 8.691 175.500 118.871 1.72E+12 1.92E+13 bx V215HN-V215C-V215N 7.587 176.092 115.759 7.84E+10 8.31E+11 bx K250HN-K250C-K250N 7.596 179.733 115.006 8.78E+11 1.29E+13 bx S241HN-S241C-S241N 8.326 174.946 115.143 5.29E+10 4.74E+11 bx D219HN-D219C-D219N 9.033 178.066 117.086 1.32E+12 1.52E+13 bx L190HN-L190C-L190N 8.133 178.432 117.451 4.90E+11 6.06E+12 bx S213HN-S213C-S213N 8.961 176.330 117.333 4.79E+10 7.81E+11 bx I223HN-I223C-I223N 7.080 175.340 115.756 6.93E+11 8.66E+12 bx Y181HN-Y181C-Y181N 7.458 178.750 114.771 6.76E+11 9.33E+12 bx A247HN-A247C-A247N 7.756 179.372 120.486 7.34E+11 9.52E+12 bx I279HN-I279C-I279N 8.620 178.277 119.758 2.98E+11 3.85E+12 bx L186HN-L186C-L186N 8.723 179.868 119.781 4.38E+11 5.55E+12 bx K257HN-K257C-K257N 8.583 180.204 120.236 8.34E+11 1.05E+13 bx I185HN-I185C-I185N 7.745 178.171 120.090 6.70E+11 8.39E+12 bx K283HN-K283C-K283N 8.355 176.939 120.586 4.96E+11 7.14E+12 bx K183HN-K183C-K183N 7.890 177.357 117.644 9.87E+11 1.21E+13 bx H289HN-H289C-H289N 7.793 174.401 117.689 7.28E+11 1.15E+13 bx S178HN-S178C-S178N 8.740 173.351 121.356 2.48E+11 3.56E+12 bx I228HN-I228C-I228N 8.942 170.404 121.171 4.10E+11 4.96E+12 bx A180HN-A180C-A180N 8.263 177.892 122.051 5.67E+11 8.14E+12 bx A196HN-A196C-A196N 6.737 178.190 124.132 1.33E+12 1.68E+13 bx D229HN-D229C-D229N 6.970 175.712 121.863 6.29E+11 7.78E+12 bx S205HN-S205C-S205N 9.151 176.522 111.872 1.32E+11 1.63E+12 bx E187HN-E187C-E187N 8.657 180.213 116.860 5.56E+11 7.65E+12 bx N258HN-N258C-N258N 9.137 177.482 120.262 6.89E+11 9.62E+12 bx D272HN-D272C-D272N 9.241 177.848 122.274 5.73E+11 7.06E+12 bx M282HN-M282C-M282N 8.698 178.341 122.274 5.08E+11 6.77E+12 bx L189HN-L189C-L189N 8.111 177.581 122.274 4.93E+11 6.00E+12 bx I204HN-I204C-I204N 7.858 177.062 123.660 1.96E+11 2.29E+12 bx E206HN-E206C-E206N 7.322 178.837 123.660 9.21E+11 1.20E+13 bx T232HN-T232C-T232N 8.709 176.188 119.063 1.43E+11 1.62E+12 bx N198HN-N198C-N198N 8.526 176.415 120.768 6.14E+11 9.02E+12 bx A234HN-A234C-A234N 8.517 180.624 120.768 8.34E+11 1.03E+13 bx R236HN-R236C-R236N 8.117 178.665 120.768 3.72E+11 5.59E+12 bx Y281HN-Y281C-Y281N 8.492 179.703 116.068 4.01E+11 5.57E+12 bx T261HN-T261C-T261N 7.979 175.227 115.931 1.88E+11 2.30E+12 bx N239HN-N239C-N239N 8.400 176.676 114.502 1.18E+12 1.56E+13 bx V194HN-V194C-V194N 8.234 176.863 115.928 4.12E+11 4.57E+12 bx E226HN-E226C-E226N 8.418 171.454 119.280 1.48E+12 1.69E+13 bx E191HN-E191C-E191N 8.450 177.025 119.280 7.58E+11 1.04E+13 bx E288HN-E288C-E288N 8.206 176.633 119.280 9.38E+11 1.22E+13 bx I237HN-I237C-I237N 7.954 179.268 119.280 2.41E+11 3.34E+12 bx Q188HN-Q188C-Q188N 7.922 179.747 120.504 1.08E+12 1.34E+13 bx A192HN-A192C-A192N 7.388 179.833 116.494 1.25E+12 1.64E+13 bx V269HN-V269C-V269N 8.173 176.852 116.494 4.81E+11 6.23E+12 bx I193HN-I193C-I193N 7.214 178.125 113.098 4.70E+11 5.09E+12 bx V195HN-V195C-V195N 7.740 177.160 110.279 8.19E+11 1.04E+13 bx T197HN-T197C-T197N 8.559 175.029 112.571 6.06E+11 8.18E+12 bx F270HN-F270C-F270N 7.182 177.089 121.570 4.52E+11 5.70E+12 bx A259HN-A259C-A259N 7.351 180.635 121.570 6.13E+11 8.55E+12 bx M248HN-M248C-M248N 6.568 177.404 117.578 4.01E+11 5.47E+12 bx K225HN-K225C-K225N 7.871 177.260 125.344 5.89E+11 8.74E+12 bx G240HN-G240C-G240N 7.574 175.439 107.576 3.87E+11 4.79E+12 bx S200HN-S200C-S200N 7.648 174.901 110.509 4.35E+10 6.13E+11 bx K278HN-K278C-K278N 8.099 179.107 118.660 5.32E+11 6.94E+12 bx F280HN-F280C-F280N 8.261 176.206 119.524 5.64E+11 6.89E+12 bx Q216HN-Q216C-Q216N 7.134 175.605 117.283 7.57E+11 1.01E+13 bx E286HN-E286C-E286N 7.568 178.787 118.052 6.71E+11 7.94E+12 bx G266HN-G266C-G266N 7.371 174.287 107.092 6.91E+10 8.27E+11 bx N263HN-N263C-N263N 7.523 173.422 113.358 7.96E+11 9.57E+12 bx Y221HN-Y220C-Y221N 6.906 175.828 113.848 3.67E+11 6.43E+12 bx I276HN-I276C-I276N 8.438 176.494 122.519 2.38E+11 3.20E+12 bx K284HN-K284C-K284N 8.138 178.078 121.302 4.55E+11 6.65E+12 bx S275HN-S275C-S275N 8.525 175.332 118.850 9.95E+10 1.40E+12 bx K214HN-K214C-K214N 8.950 177.297 129.228 2.94E+11 3.22E+12 bx Y217HN-Y217C-Y217N 7.956 173.350 115.231 8.42E+11 1.12E+13 bx L230HN-L230C-L230N 8.923 179.419 115.996 2.26E+11 2.93E+12 bx I233HN-I233C-I233N 7.464 177.309 123.162 3.04E+11 3.51E+12 bx Y242HN-Y242C-Y242N 7.997 176.156 118.814 1.47E+12 1.84E+13 bx H246HN-H246C-H246N 8.076 176.573 119.547 1.87E+11 2.26E+12 bx I252HN-I252C-I252N 7.638 177.774 123.378 4.16E+11 5.46E+12 bx K277HN-K277C-K277N 7.367 177.338 118.399 6.40E+11 8.69E+12 bx K225HN-I224C-K225N 7.870 174.235 125.392 4.39E+11 5.56E+12 bx A196HN-V195C-A196N 6.737 177.172 124.231 1.15E+11 1.55E+12 bx E206HN-S205C-E206N 7.318 176.525 123.594 8.12E+10 1.14E+12 bx K214HN-S213C-K214N 8.948 176.361 129.133 3.07E+10 5.34E+11 bx E291HN-H290C-E291N 8.126 173.901 127.295 1.39E+12 1.99E+13 bx I204HN-L203C-I204N 7.855 178.890 123.609 1.54E+11 1.54E+12 bx L254HN-L254C-L254N 7.656 176.666 123.316 2.94E+11 4.59E+12 bx L254HN-D253C-L254N 7.656 179.825 123.316 1.31E+11 2.10E+12 bx I252HN-D251C-I252N 7.639 178.019 123.393 1.55E+11 2.23E+12 bx I233HN-T232C-I233N 7.465 176.197 123.133 8.07E+10 7.73E+11 bx D229HN-I228C-D229N 6.970 170.407 121.843 2.10E+11 2.35E+12 bx Y220HN-D219C-Y220N 7.652 178.070 121.843 3.34E+11 3.67E+12 bx D251HN-K250C-D251N 6.890 179.718 121.438 2.61E+11 3.08E+12 bx F270HN-V269C-F270N 7.185 176.860 121.585 2.14E+11 2.91E+12 bx A259HN-N258C-A259N 7.347 177.464 121.671 2.23E+11 2.93E+12 bx Q209HN-F208C-Q209N 7.322 175.043 120.405 1.26E+12 1.61E+13 bx L203HN-R202C-L203N 8.815 175.786 124.398 6.00E+11 7.17E+12 bx D272HN-?-D272N 9.241 180.318 122.239 1.93E+11 2.16E+12 bx K271HN-K271C-K271N 8.005 174.221 122.399 6.90E+11 8.40E+12 bx K271HN-?-K271N 8.005 175.356 122.399 1.98E+11 2.37E+12 bx N258HN-K257C-N258N 9.139 180.224 120.299 1.65E+11 2.40E+12 bx I245HN-S244C-I245N 9.005 173.711 120.008 6.21E+10 1.02E+12 bx I228HN-P227C-I228N 8.941 175.785 121.144 2.57E+11 2.63E+12 bx D253HN-I252C-D253N 8.848 177.761 120.834 1.85E+11 2.71E+12 bx S178HN-M177C-S178N 8.737 175.742 121.340 2.34E+11 3.21E+12 bx M282HN-Y281C-M282N 8.698 179.701 122.167 1.54E+11 1.86E+12 bx I276HN-S275C-I276N 8.440 175.289 122.554 2.92E+10 5.67E+11 bx G201HN-S200C-G201N 8.511 174.894 109.984 8.23E+10 8.74E+11 bx S205HN-I204C-S205N 9.152 177.099 111.925 7.40E+10 9.79E+11 bx T197HN-A196C-T197N 8.563 178.205 112.595 2.59E+11 3.47E+12 bx L207HN-E206C-L207N 9.074 178.836 116.507 2.99E+11 3.37E+12 bx D219HN-P218C-D219N 9.031 179.795 117.125 2.62E+11 3.37E+12 bx L230HN-D229C-L230N 8.924 175.731 116.083 1.42E+11 1.87E+12 bx S213HN-P212C-S213N 8.969 176.804 117.327 1.30E+11 1.61E+12 bx E187HN-L186C-E187N 8.656 179.897 116.893 1.87E+11 2.78E+12 bx N239HN-Q238C-N239N 8.397 177.890 114.502 3.29E+11 3.77E+12 bx Y281HN-F280C-Y281N 8.490 176.224 116.063 1.75E+11 2.24E+12 bx S241HN-G240C-S241N 8.325 175.431 115.193 1.26E+11 1.29E+12 bx G266HN-P265C-G266N 7.371 176.863 107.094 9.80E+10 1.24E+12 bx G240HN-N239C-G240N 7.576 176.696 107.620 2.49E+11 3.14E+12 bx V195HN-V194C-V195N 7.741 176.871 110.309 1.81E+11 2.61E+12 bx S244HN-K243C-S244N 7.661 175.347 110.191 1.43E+11 1.92E+12 bx S200HN-P199C-S200N 7.644 177.276 110.538 5.48E+10 7.70E+11 bx M248HN-A247C-M248N 6.569 179.381 117.585 1.84E+11 2.39E+12 bx R202HN-G201C-R202N 7.581 173.603 120.750 8.37E+10 1.03E+12 bx A222HN-?-A222N 7.515 175.852 121.076 1.64E+11 2.35E+12 bx I193HN-A192C-I193N 7.213 179.841 113.160 2.98E+11 3.55E+12 bx I223HN-A222C-I223N 7.080 178.332 115.729 3.85E+11 4.49E+12 bx K277HN-I276C-K277N 7.369 176.478 118.431 1.22E+11 1.85E+12 bx N263HN-Y262C-N263N 7.523 174.342 113.374 1.80E+11 2.14E+12 bx K250HN-A249C-K250N 7.597 177.901 115.006 4.46E+11 4.93E+12 bx Q216HN-?-Q216N 7.138 177.354 117.320 1.51E+11 1.98E+12 bx V215HN-K214C-V215N 7.586 177.329 115.756 9.02E+11 1.23E+13 bx Y181HN-?-Y181N 7.460 179.220 114.674 2.96E+11 3.37E+12 bx E184HN-K183C-E184N 7.363 177.347 116.310 4.20E+11 4.50E+12 bx A192HN-E191C-A192N 7.387 177.049 116.496 3.48E+11 4.03E+12 bx E286HN-A285C-E286N 7.566 179.569 118.042 3.04E+11 3.25E+12 bx Y217HN-Q216C-Y217N 7.953 175.611 115.243 3.82E+11 4.28E+12 bx V194HN-I193C-V194N 8.233 178.133 115.946 1.33E+11 1.52E+12 bx V269HN-?-V269N 8.171 177.785 116.592 2.73E+11 3.00E+12 bx E264HN-N263C-E264N 8.693 173.426 118.868 4.03E+11 4.68E+12 bx T232HN-K231C-T232N 8.709 179.410 119.080 1.81E+11 2.33E+12 bx L186HN-I185C-L186N 8.724 178.173 119.784 1.48E+11 1.67E+12 bx S275HN-N274C-S275N 8.523 178.763 118.818 3.27E+11 3.92E+12 bx K257HN-A256C-K257N 8.581 178.121 120.265 3.91E+11 4.26E+12 bx I279HN-K278C-I279N 8.616 179.132 119.760 1.00E+11 1.63E+12 bx A180HN-P179C-A180N 8.259 177.404 122.120 2.16E+11 2.32E+12 bx K183HN-L182C-K183N 7.890 177.777 117.665 2.71E+11 3.52E+12 bx I185HN-E184C-I185N 7.745 179.700 120.051 3.75E+11 4.05E+12 bx Q188HN-E187C-Q188N 7.922 180.206 120.504 2.93E+11 3.36E+12 bx L189HN-Q188C-L189N 8.110 179.741 122.289 2.76E+11 3.18E+12 bx L190HN-L189C-L190N 8.135 177.563 117.434 2.10E+11 2.61E+12 bx E191HN-L190C-E191N 8.448 178.463 119.357 2.17E+11 2.54E+12 bx ?-?-? 8.526 176.409 120.578 7.37E+11 9.74E+12 bx ?-?-? 8.527 175.019 120.578 1.91E+11 2.47E+12 bx N198HN-T197C-N198N 8.522 175.013 120.735 1.56E+11 2.26E+12 bx L207HN-L207C-L207N 9.076 176.619 116.554 6.55E+11 8.80E+12 bx F208HN-L207C-F208N 7.904 176.620 115.988 2.04E+11 2.61E+12 bx S267HN-S267C-S267N 7.921 175.003 116.034 6.42E+11 1.06E+13 bx S267HN-G266C-S267N 7.921 174.263 116.034 2.14E+10 4.49E+11 bx K210HN-?-K210N 7.826 175.032 114.386 3.87E+11 4.70E+12 bx K210HN-K210C-K210N 7.826 176.451 114.386 1.91E+12 2.58E+13 bx E226HN-K225C-E226N 8.417 177.289 119.263 4.30E+11 5.37E+12 bx K231HN-L230C-K231N 8.249 179.418 122.713 8.52E+11 1.09E+13 bx K231HN-K231C-K231N 8.246 179.427 122.803 5.18E+11 8.58E+12 bx Q235HN-A234C-Q235N 8.054 180.630 117.047 2.37E+11 2.44E+12 bx Q235HN-Q235C-Q235N 8.051 176.231 117.047 5.35E+11 7.79E+12 bx Q238HN-Q238C-Q238N 7.819 177.877 117.692 7.59E+11 1.05E+13 bx Q238HN-I237C-Q238N 7.821 179.264 117.692 1.40E+11 2.08E+12 bx I237HN-R236C-I237N 7.952 178.688 119.346 1.66E+11 1.98E+12 bx H246HN-I245C-H246N 8.072 177.879 119.564 4.54E+10 5.61E+11 bx A247HN-H246C-A247N 7.756 176.576 120.493 2.80E+11 3.15E+12 bx L255HN-L254C-L255N 8.156 176.663 121.249 8.42E+10 1.41E+12 bx L255HN-L254C-L255N 8.153 176.703 121.400 1.62E+11 1.75E+12 bx L255HN-L255C-L255N 8.153 180.287 121.400 1.67E+11 2.86E+12 bx T261HN-K260C-T261N 7.979 176.226 115.911 1.86E+11 2.65E+12 bx K278HN-K277C-K278N 8.099 177.340 118.666 2.35E+11 2.82E+12 bx A273HN-A273C-A273N 8.201 178.089 120.094 4.43E+11 7.91E+12 bx A273HN-?-A273N 8.201 180.255 120.094 1.20E+11 1.36E+12 bx F280HN-I279C-F280N 8.262 178.287 119.523 1.32E+11 1.60E+12 bx K283HN-M282C-K283N 8.353 178.222 120.522 2.36E+10 5.48E+11 bx H289HN-E288C-H289N 7.791 176.628 117.722 3.24E+11 3.45E+12 bx E288HN-I287C-E288N 8.203 177.997 119.284 1.63E+11 2.20E+12 bx I287HN-I287C-I287N 7.885 178.010 117.098 4.53E+11 5.81E+12 bx I287HN-E286C-I287N 7.885 178.793 117.098 2.13E+11 2.62E+12 bx A285HN-?-A285N 7.471 176.958 118.966 2.80E+11 3.10E+12 bx K284HN-?-K284N 8.138 178.337 121.221 1.91E+11 2.48E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 2 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 2 3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51326 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51326 2 2 $software_2 . . 51326 2 3 $software_3 . . 51326 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51326 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNCO _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 4 _Spectral_peak_list.Experiment_name '3D HNCO' _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 ; Assignment w1 w2 w3 Height Volume K250HN-K250C-K250N 7.596 179.733 115.006 -1.40E+10 -4.75E+11 bx K214HN-S213C-K214N 8.949 176.312 129.286 2.85E+12 3.62E+13 bx K225HN-I224C-K225N 7.870 174.217 125.392 5.79E+12 7.79E+13 bx E206HN-S205C-E206N 7.318 176.525 123.594 7.40E+12 1.07E+14 bx E291HN-H290C-E291N 8.124 173.907 127.295 1.81E+13 2.76E+14 bx L254HN-D253C-L254N 7.656 179.808 123.316 5.03E+12 7.64E+13 bx I252HN-D251C-I252N 7.640 178.020 123.393 4.46E+12 5.92E+13 bx I233HN-T232C-I233N 7.462 176.174 123.133 3.52E+12 5.44E+13 bx A196HN-V195C-A196N 6.734 177.151 124.142 6.09E+12 8.99E+13 bx D229HN-I228C-D229N 6.969 170.405 121.843 6.96E+12 9.01E+13 bx Y220HN-D219C-Y220N 7.649 178.060 121.843 6.24E+12 8.23E+13 bx D251HN-K250C-D251N 6.891 179.706 121.438 8.61E+12 1.05E+14 bx F270HN-V269C-F270N 7.184 176.854 121.585 5.32E+12 6.85E+13 bx A259HN-N258C-A259N 7.350 177.477 121.671 6.40E+12 8.57E+13 bx Q209HN-F208C-Q209N 7.323 175.057 120.405 9.56E+12 1.20E+14 bx L203HN-R202C-L203N 8.813 175.796 124.398 6.54E+12 8.98E+13 bx I204HN-L203C-I204N 7.854 178.885 123.672 3.48E+12 4.38E+13 bx N258HN-K257C-N258N 9.136 180.215 120.299 5.38E+12 7.76E+13 bx I245HN-S244C-I245N 9.011 173.730 120.008 2.63E+12 3.79E+13 bx I228HN-P227C-I228N 8.941 175.761 121.144 4.62E+12 5.95E+13 bx D253HN-I252C-D253N 8.848 177.759 120.834 6.60E+12 8.99E+13 bx S178HN-M177C-S178N 8.741 175.742 121.340 4.03E+12 4.97E+13 bx M282HN-Y281C-M282N 8.700 179.701 122.167 6.62E+12 8.59E+13 bx I276HN-S275C-I276N 8.437 175.332 122.554 4.78E+12 6.32E+13 bx G201HN-S200C-G201N 8.514 174.894 109.984 7.68E+12 9.56E+13 bx S205HN-I204C-S205N 9.152 177.069 111.925 3.82E+12 4.62E+13 bx T197HN-A196C-T197N 8.561 178.186 112.595 6.45E+12 8.31E+13 bx L207HN-E206C-L207N 9.078 178.850 116.507 6.10E+12 8.63E+13 bx D219HN-P218C-D219N 9.033 179.806 117.125 7.60E+12 1.16E+14 bx L230HN-D229C-L230N 8.918 175.731 116.083 3.11E+12 4.85E+13 bx S213HN-P212C-S213N 8.967 176.804 117.327 2.55E+12 3.26E+13 bx E187HN-L186C-E187N 8.656 179.871 116.893 7.06E+12 8.89E+13 bx N239HN-Q238C-N239N 8.397 177.848 114.502 9.48E+12 1.22E+14 bx Y281HN-F280C-Y281N 8.490 176.224 116.063 4.34E+12 6.05E+13 bx S241HN-G240C-S241N 8.324 175.439 115.193 8.68E+12 1.10E+14 bx G266HN-P265C-G266N 7.371 176.863 107.094 1.99E+12 2.57E+13 bx G240HN-N239C-G240N 7.575 176.680 107.620 6.68E+12 9.71E+13 bx V195HN-V194C-V195N 7.739 176.861 110.309 7.09E+12 9.03E+13 bx S244HN-K243C-S244N 7.661 175.347 110.191 7.94E+12 1.02E+14 bx S200HN-P199C-S200N 7.644 177.276 110.538 1.99E+12 2.44E+13 bx M248HN-A247C-M248N 6.569 179.381 117.585 3.74E+12 5.87E+13 bx R202HN-G201C-R202N 7.581 173.603 120.750 8.65E+12 1.11E+14 bx A222HN-?-A222N 7.515 175.852 121.076 6.60E+12 1.01E+14 bx Y221HN-Y220C-Y221N 6.902 175.855 113.915 4.55E+12 6.50E+13 bx I193HN-A192C-I193N 7.213 179.841 113.160 7.60E+12 9.68E+13 bx I223HN-A222C-I223N 7.080 178.332 115.729 7.92E+12 1.06E+14 bx K277HN-I276C-K277N 7.365 176.472 118.431 5.99E+12 7.83E+13 bx N263HN-Y262C-N263N 7.523 174.342 113.374 7.42E+12 9.49E+13 bx K250HN-A249C-K250N 7.596 177.887 115.006 8.23E+12 1.10E+14 bx Q216HN-?-Q216N 7.132 177.361 117.320 6.12E+12 8.72E+13 bx V215HN-K214C-V215N 7.589 177.314 115.756 8.11E+12 1.03E+14 bx Y181HN-?-Y181N 7.460 179.220 114.674 6.51E+12 8.42E+13 bx E184HN-K183C-E184N 7.363 177.347 116.310 1.02E+13 1.30E+14 bx A192HN-E191C-A192N 7.387 177.049 116.496 8.73E+12 1.16E+14 bx E286HN-A285C-E286N 7.566 179.569 118.042 5.53E+12 7.99E+13 bx Y217HN-Q216C-Y217N 7.953 175.611 115.243 9.36E+12 1.18E+14 bx V194HN-I193C-V194N 8.233 178.133 115.946 5.13E+12 6.78E+13 bx V269HN-?-V269N 8.171 177.785 116.592 5.99E+12 8.58E+13 bx E264HN-N263C-E264N 8.693 173.426 118.868 1.08E+13 1.30E+14 bx T232HN-K231C-T232N 8.705 179.422 119.080 4.47E+12 6.60E+13 bx L186HN-I185C-L186N 8.724 178.173 119.784 5.21E+12 6.97E+13 bx S275HN-N274C-S275N 8.523 178.763 118.818 6.25E+12 8.70E+13 bx K257HN-A256C-K257N 8.582 178.113 120.265 7.80E+12 1.01E+14 bx I279HN-K278C-I279N 8.618 179.132 119.760 4.05E+12 6.15E+13 bx A180HN-P179C-A180N 8.261 177.403 122.120 5.44E+12 7.18E+13 bx K183HN-L182C-K183N 7.888 177.747 117.665 7.88E+12 1.03E+14 bx I185HN-E184C-I185N 7.745 179.700 120.051 8.18E+12 1.09E+14 bx Q188HN-E187C-Q188N 7.919 180.206 120.504 9.88E+12 1.25E+14 bx L189HN-Q188C-L189N 8.110 179.741 122.289 5.80E+12 8.52E+13 bx L190HN-L189C-L190N 8.135 177.563 117.434 5.76E+12 7.38E+13 bx E191HN-L190C-E191N 8.448 178.463 119.357 6.99E+12 9.69E+13 bx N198HN-T197C-N198N 8.524 175.013 120.735 5.35E+12 7.50E+13 bx A234HN-I233C-A234N 8.517 177.345 120.735 5.60E+12 8.22E+13 bx F208HN-L207C-F208N 7.904 176.620 115.988 6.13E+12 8.90E+13 bx S267HN-G266C-S267N 7.921 174.263 116.034 5.85E+12 8.82E+13 bx K210HN-?-K210N 7.826 175.032 114.386 1.11E+13 1.64E+14 bx E226HN-K225C-E226N 8.417 177.289 119.263 1.08E+13 1.38E+14 bx K231HN-L230C-K231N 8.248 179.428 122.713 7.81E+12 9.34E+13 bx Q235HN-A234C-Q235N 8.054 180.630 117.047 5.73E+12 7.61E+13 bx R236HN-?-R236N 8.115 178.105 120.885 5.18E+12 7.08E+13 bx Q238HN-I237C-Q238N 7.818 179.239 117.692 5.01E+12 8.36E+13 bx I237HN-R236C-I237N 7.952 178.688 119.346 4.59E+12 6.41E+13 bx H246HN-I245C-H246N 8.073 177.852 119.564 1.66E+12 2.09E+13 bx A247HN-H246C-A247N 7.756 176.576 120.493 5.26E+12 7.74E+13 bx L255HN-L254C-L255N 8.156 176.663 121.249 3.19E+12 5.18E+13 bx L255HN-L254C-L255N 8.153 176.677 121.400 4.31E+12 5.96E+13 bx T261HN-K260C-T261N 7.979 176.226 115.911 6.29E+12 8.47E+13 bx K278HN-K277C-K278N 8.099 177.340 118.666 5.83E+12 7.78E+13 bx A273HN-?-A273N 8.200 180.283 120.094 4.65E+12 6.80E+13 bx F280HN-I279C-F280N 8.262 178.287 119.523 5.84E+12 7.19E+13 bx K283HN-M282C-K283N 8.352 178.184 120.522 1.01E+12 2.93E+13 bx H289HN-E288C-H289N 7.791 176.628 117.722 6.39E+12 8.26E+13 bx E288HN-I287C-E288N 8.203 177.997 119.284 5.30E+12 7.53E+13 bx I287HN-E286C-I287N 7.885 178.819 117.098 6.56E+12 8.45E+13 bx A285HN-?-A285N 7.471 176.958 118.966 6.93E+12 8.91E+13 bx K284HN-?-K284N 8.138 178.337 121.221 5.27E+12 6.90E+13 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 3 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 3 3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51326 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51326 3 2 $software_2 . . 51326 3 3 $software_3 . . 51326 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51326 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name CBCAcoNH _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 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _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 ; Assignment w1 w2 w3 Height Volume K214HN-S213CA-K214N 8.944 57.887 129.286 6.47E+11 9.33E+12 bx K214HN-S213CB-K214N 8.949 63.653 129.286 1.46E+12 2.08E+13 bx K225HN-I224CB-K225N 7.865 33.614 125.392 4.18E+11 6.75E+12 bx K225HN-I224CA-K225N 7.869 57.465 125.392 7.77E+11 1.24E+13 bx A196HN-V195CA-A196N 6.731 60.951 124.231 1.41E+12 2.14E+13 bx A196HN-V195CB-A196N 6.725 32.192 124.231 5.32E+11 8.22E+12 bx E206HN-S205CB-E206N 7.323 64.271 123.594 1.62E+12 2.35E+13 bx E206HN-S205CA-E206N 7.320 59.438 123.594 1.29E+12 1.88E+13 bx E291HN-H290CB-E291N 8.123 30.217 127.295 7.17E+12 1.32E+14 bx E291HN-H290CA-E291N 8.121 55.995 127.295 3.81E+12 7.10E+13 bx I204HN-L203CB-I204N 7.855 41.839 123.609 7.47E+11 1.09E+13 bx I204HN-L203CA-I204N 7.856 54.979 123.609 6.71E+11 9.68E+12 bx L254HN-D253CA-L254N 7.655 57.413 123.316 7.14E+11 1.31E+13 bx L254HN-D253CB-L254N 7.655 39.574 123.316 1.34E+12 2.08E+13 bx I252HN-D251CA-I252N 7.640 56.697 123.370 5.79E+11 8.98E+12 bx I233HN-T232CA-I233N 7.466 67.184 123.133 6.14E+11 8.65E+12 bx I233HN-T232CB-I233N 7.464 68.379 123.133 7.51E+11 1.06E+13 bx D229HN-I228CB-D229N 6.967 41.226 121.843 6.05E+11 8.43E+12 bx D229HN-?-D229N 6.965 61.426 121.843 1.26E+12 1.76E+13 bx D251HN-K250CB-D251N 6.894 32.036 121.438 1.80E+12 2.50E+13 bx D251HN-K250CA-D251N 6.889 59.285 121.438 1.98E+12 2.72E+13 bx F270HN-V269CB-F270N 7.185 31.870 121.585 7.16E+11 1.04E+13 bx F270HN-V269CA-F270N 7.186 65.808 121.585 1.53E+12 2.20E+13 bx A259HN-N258CB-A259N 7.349 37.454 121.645 1.16E+12 1.81E+13 bx A259HN-N258CA-A259N 7.333 55.416 121.645 3.30E+11 6.30E+12 bx Q209HN-F208CB-Q209N 7.322 39.938 120.405 1.80E+12 2.46E+13 bx Q209HN-F208CA-Q209N 7.321 57.235 120.405 1.33E+12 1.90E+13 bx L203HN-R202CB-L203N 8.814 31.363 124.398 1.19E+12 1.63E+13 bx L203HN-R202CA-L203N 8.815 55.342 124.398 1.47E+12 2.08E+13 bx Q268HN-?-Q268N 9.020 58.121 123.641 2.74E+11 3.84E+12 bx Q268HN-S267CB-Q268N 9.023 65.384 123.641 4.29E+11 6.01E+12 bx N258HN-K257CB-N258N 9.130 32.331 120.299 8.00E+11 1.25E+13 bx N258HN-K257CA-N258N 9.134 59.629 120.299 9.71E+11 1.63E+13 bx I245HN-S244CA-I245N 9.015 56.856 120.008 6.62E+11 1.02E+13 bx I245HN-S244CB-I245N 9.015 65.626 120.008 8.47E+11 1.30E+13 bx I228HN-P227CB-I228N 8.941 33.452 121.144 9.56E+11 1.34E+13 bx I228HN-P227CA-I228N 8.945 62.633 121.144 1.16E+12 1.67E+13 bx D253HN-I252CB-D253N 8.848 33.926 120.834 5.68E+11 8.50E+12 bx D253HN-I252CA-D253N 8.851 61.142 120.834 1.29E+12 1.92E+13 bx S178HN-M177CA-S178N 8.741 55.516 121.340 2.63E+12 3.80E+13 bx S178HN-M177CB-S178N 8.739 34.076 121.340 2.12E+12 3.01E+13 bx M282HN-Y281CA-M282N 8.696 64.147 122.167 1.31E+12 1.88E+13 bx M282HN-Y281CB-M282N 8.699 37.246 122.167 1.16E+12 1.65E+13 bx I276HN-S275CA-I276N 8.436 62.517 122.554 8.57E+11 1.28E+13 bx A256HN-?-A256N 8.389 40.183 123.195 1.08E+12 1.58E+13 bx A256HN-?-A256N 8.391 57.753 123.195 8.65E+11 1.30E+13 bx G201HN-S200CA-G201N 8.514 58.827 109.984 1.99E+12 2.81E+13 bx G201HN-S200CB-G201N 8.513 63.640 109.984 2.74E+12 3.92E+13 bx S205HN-I204CB-S205N 9.145 37.749 111.925 4.09E+11 5.74E+12 bx T197HN-A196CB-T197N 8.553 19.753 112.595 2.49E+12 3.73E+13 bx T197HN-A196CA-T197N 8.563 53.441 112.595 1.55E+12 2.34E+13 bx L207HN-E206CA-L207N 9.077 60.754 116.507 1.92E+12 2.70E+13 bx L207HN-E206CB-L207N 9.074 30.381 116.507 1.27E+12 1.78E+13 bx D219HN-P218CA-D219N 9.029 65.635 117.125 2.40E+12 3.27E+13 bx D219HN-P218CB-D219N 9.028 31.024 117.125 1.57E+12 2.21E+13 bx L230HN-D229CA-L230N 8.918 52.094 116.083 5.45E+11 9.04E+12 bx L230HN-D229CB-L230N 8.915 42.818 116.083 8.81E+11 1.49E+13 bx S213HN-P212CA-S213N 8.968 61.806 117.327 1.16E+12 1.66E+13 bx S213HN-P212CB-S213N 8.970 32.275 117.327 1.08E+12 1.48E+13 bx E187HN-L186CB-E187N 8.655 40.868 116.893 8.54E+11 1.23E+13 bx E187HN-L186CA-E187N 8.656 58.503 116.893 1.40E+12 2.07E+13 bx N239HN-Q238CA-N239N 8.399 58.397 114.502 2.27E+12 3.16E+13 bx N239HN-Q238CB-N239N 8.395 28.215 114.502 2.11E+12 2.91E+13 bx Y281HN-F280CB-Y281N 8.490 39.160 116.063 9.18E+11 1.40E+13 bx Y281HN-F280CA-Y281N 8.490 62.352 116.063 1.23E+12 1.94E+13 bx S241HN-G240CA-S241N 8.322 46.638 115.193 2.88E+12 4.17E+13 bx G266HN-P265CA-G266N 7.371 63.365 107.094 8.55E+11 1.20E+13 bx G266HN-P265CB-G266N 7.372 31.356 107.094 7.73E+11 1.07E+13 bx G240HN-N239CB-G240N 7.574 38.197 107.620 2.65E+12 3.88E+13 bx G240HN-N239CA-G240N 7.575 52.250 107.620 1.11E+12 1.63E+13 bx V195HN-V194CA-V195N 7.738 65.247 110.309 1.07E+12 1.55E+13 bx V195HN-V194CB-V195N 7.738 31.770 110.309 7.14E+11 1.08E+13 bx S244HN-K243CB-S244N 7.661 31.946 110.191 1.86E+12 2.73E+13 bx S244HN-K243CA-S244N 7.660 55.340 110.191 1.99E+12 2.89E+13 bx S200HN-P199CA-S200N 7.643 65.767 110.538 1.15E+12 1.61E+13 bx M248HN-A247CB-M248N 6.568 19.128 117.585 1.69E+12 2.88E+13 bx M248HN-A247CA-M248N 6.569 55.060 117.585 1.27E+12 2.19E+13 bx Y220HN-D219CB-Y220N 7.650 39.708 121.836 2.09E+12 3.02E+13 bx Y220HN-D219CA-Y220N 7.650 55.895 121.836 1.56E+12 2.28E+13 bx A222HN-Y221CB-A222N 7.513 38.060 121.076 1.42E+12 2.07E+13 bx A222HN-Y221CA-A222N 7.515 60.233 121.076 1.01E+12 1.55E+13 bx Y221HN-Y220CB-Y221N 6.906 38.417 113.925 1.26E+12 1.73E+13 bx Y221HN-Y220CA-Y221N 6.902 62.001 113.925 1.24E+12 1.81E+13 bx I193HN-A192CA-I193N 7.213 54.625 113.160 2.08E+12 2.88E+13 bx I193HN-A192CB-I193N 7.212 17.590 113.160 2.75E+12 3.81E+13 bx I223HN-A222CB-I223N 7.081 18.787 115.729 2.92E+12 4.26E+13 bx I223HN-A222CA-I223N 7.078 53.559 115.729 2.05E+12 2.95E+13 bx A285HN-K284CB-A285N 7.473 32.937 118.990 1.09E+12 1.48E+13 bx A285HN-?-A285N 7.473 60.017 118.990 1.57E+12 2.15E+13 bx K277HN-I276CB-K277N 7.366 37.287 118.431 5.30E+11 7.81E+12 bx K277HN-I276CA-K277N 7.368 66.077 118.431 1.32E+12 1.99E+13 bx N263HN-Y262CA-N263N 7.525 60.555 113.374 1.96E+12 2.74E+13 bx N263HN-Y262CB-N263N 7.526 40.640 113.374 1.52E+12 2.17E+13 bx K250HN-A249CB-K250N 7.598 17.795 115.006 2.84E+12 3.96E+13 bx K250HN-A249CA-K250N 7.596 55.031 115.006 1.97E+12 2.82E+13 bx Y181HN-?-Y181N 7.457 18.886 114.686 2.13E+12 3.26E+13 bx V215HN-K214CA-V215N 7.588 58.968 115.756 2.05E+12 2.91E+13 bx Y181HN-A180CA-Y181N 7.458 55.262 114.674 1.79E+12 2.60E+13 bx E184HN-K183CB-E184N 7.364 32.535 116.310 1.30E+12 1.83E+13 bx E184HN-K183CA-E184N 7.364 60.601 116.310 2.06E+12 2.87E+13 bx A192HN-E191CB-A192N 7.384 29.453 116.496 1.26E+12 1.74E+13 bx A192HN-E191CA-A192N 7.386 59.168 116.496 1.79E+12 2.46E+13 bx E286HN-A285CB-E286N 7.564 17.999 118.042 2.56E+12 3.55E+13 bx E286HN-A285CA-E286N 7.566 54.505 118.042 1.68E+12 2.31E+13 bx Y217HN-Q216CA-Y217N 7.952 57.123 115.243 2.24E+12 3.25E+13 bx Y217HN-Q216CB-Y217N 7.954 30.433 115.243 2.13E+12 3.05E+13 bx V194HN-I193CB-V194N 8.235 38.644 115.946 4.63E+11 6.95E+12 bx V194HN-I193CA-V194N 8.232 64.972 115.946 1.09E+12 1.64E+13 bx V269HN-Q268CB-V269N 8.172 28.974 116.592 1.19E+12 1.69E+13 bx V269HN-Q268CA-V269N 8.173 58.762 116.592 1.76E+12 2.48E+13 bx E264HN-N263CB-E264N 8.694 41.536 118.868 1.77E+12 2.42E+13 bx E264HN-N263CA-E264N 8.691 52.456 118.868 1.60E+12 2.23E+13 bx T232HN-K231CB-T232N 8.708 31.551 119.080 1.54E+12 2.13E+13 bx T232HN-K231CA-T232N 8.708 59.794 119.080 1.63E+12 2.25E+13 bx L186HN-I185CB-L186N 8.720 37.224 119.784 5.30E+11 7.83E+12 bx L186HN-I185CA-L186N 8.722 64.271 119.784 1.36E+12 2.00E+13 bx S275HN-N274CA-S275N 8.524 55.742 118.818 1.33E+12 1.97E+13 bx S275HN-N274CB-S275N 8.525 38.201 118.818 2.27E+12 3.35E+13 bx K257HN-A256CA-K257N 8.580 54.969 120.265 1.85E+12 2.55E+13 bx I279HN-K278CB-I279N 8.616 32.543 119.760 8.36E+11 1.31E+13 bx I279HN-K278CA-I279N 8.617 60.122 119.760 9.79E+11 1.51E+13 bx A180HN-P179CA-A180N 8.262 58.712 122.120 1.21E+12 1.74E+13 bx A180HN-P179CB-A180N 8.262 31.567 122.120 6.18E+11 8.92E+12 bx K183HN-L182CB-K183N 7.888 41.277 117.665 1.17E+12 1.64E+13 bx K183HN-L182CA-K183N 7.890 57.793 117.665 1.80E+12 2.52E+13 bx I185HN-E184CB-I185N 7.746 29.492 120.051 1.73E+12 2.41E+13 bx I185HN-E184CA-I185N 7.748 59.428 120.051 1.49E+12 2.21E+13 bx Q188HN-E187CA-Q188N 7.922 60.219 120.504 1.50E+12 2.17E+13 bx Q188HN-E187CB-Q188N 7.922 29.485 120.504 1.28E+12 1.84E+13 bx L189HN-Q188CB-L189N 8.111 29.033 122.289 1.25E+12 1.74E+13 bx L189HN-Q188CA-L189N 8.111 59.190 122.289 1.83E+12 2.50E+13 bx L190HN-L189CA-L190N 8.134 58.447 117.434 1.28E+12 1.85E+13 bx L190HN-L189CB-L190N 8.133 41.208 117.434 8.17E+11 1.23E+13 bx E191HN-L190CB-E191N 8.447 41.636 119.357 7.97E+11 1.23E+13 bx E191HN-L190CA-E191N 8.445 57.453 119.357 1.60E+12 2.59E+13 bx N198HN-T197CA-N198N 8.524 59.246 120.578 9.88E+11 1.44E+13 bx N198HN-T197CB-N198N 8.520 72.327 120.578 1.01E+12 1.49E+13 bx S200HN-P199CB-S200N 7.645 31.681 110.509 6.36E+11 1.10E+13 bx R202HN-G201CA-R202N 7.581 44.843 120.742 2.81E+12 4.11E+13 bx S205HN-I204CA-S205N 9.149 64.662 111.831 9.72E+11 1.35E+13 bx F208HN-L207CB-F208N 7.899 39.768 115.960 1.15E+12 1.65E+13 bx F208HN-L207CA-F208N 7.903 55.625 115.960 1.48E+12 2.10E+13 bx K210HN-Q209CA-K210N 7.826 59.478 114.386 2.10E+12 2.89E+13 bx K210HN-Q209CB-K210N 7.826 28.721 114.386 1.73E+12 2.36E+13 bx V215HN-V215CB-V215N 7.587 32.504 115.743 2.17E+12 3.12E+13 bx Q216HN-V215CA-Q216N 7.136 64.409 117.280 2.31E+12 3.39E+13 bx Q216HN-V215CB-Q216N 7.136 32.193 117.280 1.09E+12 1.55E+13 bx E226HN-K225CB-E226N 8.415 32.606 119.263 1.97E+12 2.76E+13 bx E226HN-K225CA-E226N 8.417 57.280 119.263 2.38E+12 3.44E+13 bx K231HN-L230CB-K231N 8.246 41.659 122.713 9.84E+11 1.35E+13 bx K231HN-L230CA-K231N 8.247 57.450 122.713 1.31E+12 1.80E+13 bx A234HN-I233CB-A234N 8.520 38.736 120.797 5.63E+11 7.93E+12 bx A234HN-I233CA-A234N 8.518 65.566 120.797 1.06E+12 1.59E+13 bx Q235HN-?-Q235N 8.053 55.150 117.052 1.40E+12 1.97E+13 bx Q235HN-?-Q235N 8.053 19.230 117.047 1.89E+12 2.78E+13 bx R236HN-?-R236N 8.118 28.495 120.885 1.36E+12 1.96E+13 bx R236HN-?-R236N 8.115 58.897 120.885 1.79E+12 2.52E+13 bx Q238HN-I237CB-Q238N 7.814 38.921 117.711 4.57E+11 7.59E+12 bx Q238HN-I237CA-Q238N 7.821 65.903 117.711 1.31E+12 2.08E+13 bx Y242HN-S241CA-Y242N 7.996 61.270 118.814 1.06E+12 1.76E+13 bx Y242HN-S241CB-Y242N 7.992 63.101 118.814 2.87E+12 4.18E+13 bx H246HN-I245CA-H246N 8.070 65.133 119.564 7.91E+11 1.11E+13 bx H246HN-I245CB-H246N 8.076 37.597 119.564 4.24E+11 5.75E+12 bx A247HN-H246CB-A247N 7.758 30.201 120.493 1.88E+12 2.84E+13 bx A247HN-H246CA-A247N 7.759 58.931 120.493 1.48E+12 2.49E+13 bx I252HN-D251CB-I252N 7.636 39.839 123.420 1.10E+12 1.69E+13 bx L255HN-L254CA-L255N 8.156 57.873 121.386 1.09E+12 1.60E+13 bx A256HN-A256CB-A256N 8.392 18.757 123.228 7.55E+09 1.05E+11 bx K257HN-?-K257N 8.580 18.248 120.229 2.90E+12 4.05E+13 bx T261HN-K260CB-T261N 7.980 31.858 115.911 1.27E+12 1.76E+13 bx T261HN-K260CA-T261N 7.980 58.084 115.911 1.57E+12 2.20E+13 bx S267HN-G266CA-S267N 7.924 45.081 115.984 3.03E+12 4.39E+13 bx A273HN-?-A273N 8.201 42.595 120.058 8.24E+11 1.14E+13 bx A273HN-?-A273N 8.203 59.282 120.058 1.14E+12 1.61E+13 bx K278HN-K277CB-K278N 8.098 32.774 118.669 1.31E+12 1.88E+13 bx K278HN-K277CA-K278N 8.099 60.573 118.669 1.47E+12 2.15E+13 bx F280HN-I279CB-F280N 8.262 37.765 119.542 5.82E+11 8.04E+12 bx F280HN-I279CA-F280N 8.260 64.580 119.542 1.43E+12 1.97E+13 bx K283HN-?-K283N 8.352 29.911 120.560 7.57E+11 1.13E+13 bx K284HN-K283CB-K284N 8.141 32.921 121.232 4.67E+11 6.77E+12 bx K284HN-?-K284N 8.139 59.398 121.232 9.83E+11 1.48E+13 bx E288HN-I287CA-E288N 8.203 63.367 119.259 1.12E+12 1.66E+13 bx H289HN-E288CA-H289N 7.790 57.825 117.741 1.95E+12 2.75E+13 bx H289HN-E288CB-H289N 7.791 29.859 117.741 1.68E+12 2.32E+13 bx E288HN-I287CB-E288N 8.197 38.785 119.263 5.22E+11 1.19E+13 bx I287HN-E286CB-I287N 7.871 30.305 117.081 7.79E+11 1.20E+13 bx I287HN-E286CA-I287N 7.882 59.085 117.081 1.67E+12 2.31E+13 bx I237HN-R236CA-I237N 7.950 59.385 119.340 8.76E+11 1.43E+13 bx I237HN-R236CB-I237N 7.950 29.449 119.340 2.38E+11 3.98E+12 bx D272HN-?-D272N 9.245 32.298 122.283 7.54E+11 1.16E+13 bx D272HN-?-D272N 9.229 59.929 122.283 1.15E+12 1.73E+13 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 4 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 4 3 . . 13C 13 'CA, CB' . aliased 60 ppm . . . . . . 51326 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51326 4 2 $software_2 . . 51326 4 3 $software_3 . . 51326 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51326 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name HNCACB _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 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _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 ; Assignment w1 w2 w3 Height Volume A285HN-A285CB-A285N 7.473 18.066 118.991 8.22E+11 1.19E+13 bx A285HN-A285CA-A285N 7.473 54.686 119.000 -9.08E+11 -1.32E+13 bx G266HN-G266CA-G266N 7.369 45.165 107.145 -1.80E+11 -2.91E+12 bx G201HN-G201CA-G201N 8.512 44.973 109.989 -8.51E+11 -1.26E+13 bx T197HN-T197CB-T197N 8.556 72.327 112.599 4.88E+11 7.86E+12 bx K250HN-K250CB-K250N 7.596 32.043 115.012 7.84E+11 1.18E+13 bx A196HN-A196CA-A196N 6.735 53.363 124.131 -1.25E+12 -1.81E+13 bx A180HN-A180CB-A180N 8.260 17.906 122.110 6.65E+11 9.42E+12 bx A180HN-A180CA-A180N 8.261 55.106 122.118 -8.56E+11 -1.20E+13 bx K231HN-K231CB-K231N 8.246 31.578 122.699 5.36E+11 8.48E+12 bx K231HN-K231CA-K231N 8.246 59.991 122.698 -7.66E+11 -1.13E+13 bx S205HN-S205CA-S205N 9.147 59.603 111.861 -3.24E+11 -4.57E+12 bx S205HN-S205CB-S205N 9.148 64.284 111.858 5.02E+11 7.10E+12 bx G240HN-G240CA-G240N 7.573 46.648 107.601 -1.03E+12 -1.50E+13 bx L203HN-L203CB-L203N 8.812 41.886 124.443 4.25E+11 6.45E+12 bx I204HN-I204CB-I204N 7.854 37.914 123.620 1.99E+11 2.98E+12 bx I204HN-I204CA-I204N 7.854 64.794 123.620 -2.85E+11 -4.15E+12 bx A259HN-A259CB-A259N 7.349 19.325 121.692 7.10E+11 9.99E+12 bx A259HN-A259CA-A259N 7.348 55.254 121.688 -9.36E+11 -1.36E+13 bx A222HN-A222CB-A222N 7.516 18.806 121.100 8.21E+11 1.26E+13 bx A222HN-A222CA-A222N 7.516 53.561 121.089 -9.33E+11 -1.44E+13 bx K257HN-K257CB-K257N 8.580 32.414 120.250 4.57E+11 7.43E+12 bx S178HN-S178CA-S178N 8.739 56.564 121.384 -3.78E+11 -5.88E+12 bx S178HN-S178CB-S178N 8.739 63.108 121.351 6.25E+11 9.66E+12 bx S200HN-S200CA-S200N 7.644 58.899 110.497 -1.33E+11 -2.11E+12 bx S200HN-S200CB-S200N 7.644 63.725 110.524 2.51E+11 3.80E+12 bx E206HN-E206CB-E206N 7.321 30.407 123.616 7.17E+11 1.08E+13 bx Q268HN-Q268CB-Q268N 9.020 29.119 123.657 3.33E+10 7.60E+11 bx Q268HN-Q268CA-Q268N 9.022 58.670 123.657 -4.42E+10 -8.47E+11 bx A256HN-A256CA-A256N 8.387 55.257 123.247 -8.22E+11 -1.21E+13 bx I233HN-I233CB-I233N 7.459 38.771 123.160 2.21E+11 3.64E+12 bx K271HN-K271CB-K271N 8.003 33.701 122.421 4.11E+11 6.55E+12 bx K271HN-K271CA-K271N 8.008 57.535 122.400 -3.99E+11 -6.05E+12 bx D272HN-D272CB-D272N 9.240 40.220 122.263 5.69E+11 8.63E+12 bx D272HN-D272CA-D272N 9.241 57.935 122.259 -5.98E+11 -8.43E+12 bx M282HN-M282CB-M282N 8.697 33.030 122.209 2.93E+11 4.55E+12 bx M282HN-M282CA-M282N 8.697 59.495 122.204 -5.75E+11 -8.69E+12 bx Y220HN-Y220CB-Y220N 7.649 38.460 121.822 3.93E+11 6.02E+12 bx Y220HN-Y220CA-Y220N 7.649 62.135 121.823 -6.74E+11 -9.74E+12 bx D229HN-D229CB-D229N 6.967 42.816 121.867 8.38E+11 1.25E+13 bx F270HN-F270CB-F270N 7.184 41.030 121.549 3.60E+11 5.51E+12 bx F270HN-F270CA-F270N 7.182 61.558 121.535 -5.73E+11 -8.38E+12 bx I228HN-I228CB-I228N 8.937 41.372 121.173 3.29E+11 5.02E+12 bx I228HN-I228CA-I228N 8.936 61.656 121.073 -1.94E+11 -4.58E+12 bx I193HN-I193CB-I193N 7.211 38.715 113.081 4.93E+11 7.65E+12 bx I193HN-I193CA-I193N 7.211 65.123 113.085 -7.85E+11 -1.13E+13 bx A192HN-A192CB-A192N 7.386 17.650 116.521 1.03E+12 1.46E+13 bx A192HN-A192CA-A192N 7.386 54.808 116.525 -1.34E+12 -1.87E+13 bx S241HN-S241CA-S241N 8.327 61.340 115.061 -3.95E+11 -7.74E+12 bx N239HN-N239CB-N239N 8.396 38.225 114.472 1.37E+12 2.03E+13 bx N239HN-N239CA-N239N 8.394 52.419 114.511 -7.22E+11 -1.08E+13 bx K210HN-K210CB-K210N 7.820 36.057 114.511 8.18E+11 1.70E+13 bx N263HN-N263CB-N263N 7.522 41.600 113.397 6.81E+11 1.05E+13 bx N263HN-N263CA-N263N 7.522 52.606 113.400 -9.26E+11 -1.37E+13 bx S244HN-S244CA-S244N 7.660 56.966 110.290 -9.25E+11 -1.34E+13 bx S244HN-S244CB-S244N 7.662 65.733 110.290 1.06E+12 1.58E+13 bx V195HN-V195CA-V195N 7.737 61.057 110.290 -6.83E+11 -1.08E+13 bx V195HN-V195CB-V195N 7.739 32.144 110.290 6.19E+11 1.04E+13 bx Y221HN-Y221CB-Y221N 6.899 38.159 113.904 4.55E+11 7.13E+12 bx Y221HN-Y221CA-Y221N 6.899 60.404 113.904 -5.03E+11 -7.44E+12 bx Y181HN-Y181CB-Y181N 7.458 38.270 114.684 7.27E+11 1.15E+13 bx K250HN-K250CA-K250N 7.596 59.387 114.992 -9.71E+11 -1.41E+13 bx Y217HN-Y217CB-Y217N 7.954 37.960 115.143 5.63E+11 1.10E+13 bx Y217HN-Y217CA-Y217N 7.951 55.609 115.263 -7.27E+11 -1.05E+13 bx L207HN-L207CB-L207N 9.072 39.867 116.500 5.05E+11 8.04E+12 bx L207HN-L207CA-L207N 9.076 55.721 116.500 -6.73E+11 -9.87E+12 bx V194HN-V194CA-V194N 8.233 65.333 115.931 -6.88E+11 -1.05E+13 bx V194HN-V194CB-V194N 8.234 31.782 115.931 3.70E+11 5.95E+12 bx Y281HN-Y281CB-Y281N 8.491 37.295 115.931 3.74E+11 6.30E+12 bx Y281HN-Y281CA-Y281N 8.490 64.277 115.931 -4.72E+11 -7.99E+12 bx T261HN-T261CA-T261N 7.978 65.279 116.000 -4.20E+11 -6.78E+12 bx T261HN-T261CB-T261N 7.978 69.128 116.000 4.17E+11 7.54E+12 bx L230HN-L230CA-L230N 8.917 57.545 116.000 -3.02E+11 -4.56E+12 bx N258HN-N258CB-N258N 9.137 37.504 120.300 6.65E+11 1.02E+13 bx N258HN-N258CA-N258N 9.134 55.415 120.299 -5.49E+11 -8.27E+12 bx M248HN-M248CB-M248N 6.563 31.532 117.514 2.11E+11 3.46E+12 bx M248HN-M248CA-M248N 6.563 58.868 117.514 -4.47E+11 -7.16E+12 bx D251HN-D251CA-D251N 6.892 56.863 121.444 -6.89E+11 -9.86E+12 bx D251HN-D251CB-D251N 6.890 39.954 121.444 6.77E+11 1.04E+13 bx Q209HN-Q209CB-Q209N 7.321 28.728 120.389 5.45E+11 8.71E+12 bx Q209HN-Q209CA-Q209N 7.321 59.599 120.393 -8.00E+11 -1.23E+13 bx K277HN-K277CB-K277N 7.365 32.841 118.412 5.30E+11 7.89E+12 bx K277HN-K277CA-K277N 7.365 60.707 118.412 -7.10E+11 -1.01E+13 bx E286HN-E286CB-E286N 7.566 30.348 118.017 4.43E+11 6.87E+12 bx E286HN-E286CA-E286N 7.566 59.149 118.017 -6.44E+11 -9.40E+12 bx K278HN-K278CB-K278N 8.098 32.697 118.540 3.19E+11 6.74E+12 bx K278HN-K278CA-K278N 8.096 60.316 118.540 -3.95E+11 -7.88E+12 bx Q216HN-Q216CB-Q216N 7.130 30.450 117.283 5.59E+11 9.06E+12 bx Q216HN-Q216CA-Q216N 7.130 57.184 117.283 -7.14E+11 -1.09E+13 bx E187HN-E187CA-E187N 8.655 60.359 116.902 -7.47E+11 -1.11E+13 bx E187HN-E187CB-E187N 8.655 29.485 116.902 5.14E+11 7.75E+12 bx Q188HN-Q188CB-Q188N 7.922 28.993 120.434 7.59E+11 1.19E+13 bx Q188HN-Q188CA-Q188N 7.920 59.226 120.434 -1.03E+12 -1.48E+13 bx E191HN-E191CB-E191N 8.448 29.437 119.359 5.61E+11 8.91E+12 bx E191HN-E191CA-E191N 8.448 59.237 119.349 -9.04E+11 -1.30E+13 bx E226HN-E226CA-E226N 8.409 53.219 119.260 -6.94E+11 -1.06E+13 bx E226HN-E226CB-E226N 8.415 30.818 119.260 8.82E+11 1.41E+13 bx R236HN-R236CB-R236N 8.113 29.515 120.889 9.46E+10 1.86E+12 bx R236HN-R236CA-R236N 8.115 59.458 120.889 -4.87E+11 -8.12E+12 bx S267HN-S267CB-S267N 7.919 65.532 115.980 7.20E+11 1.19E+13 bx S267HN-S267CA-S267N 7.920 58.403 115.980 -7.17E+11 -1.17E+13 bx D219HN-D219CB-D219N 9.030 39.736 117.082 1.18E+12 1.73E+13 bx D219HN-D219CA-D219N 9.031 56.047 117.082 -1.25E+12 -1.80E+13 bx I237HN-I237CB-I237N 7.950 38.890 119.367 3.64E+11 6.14E+12 bx I237HN-I237CA-I237N 7.950 66.033 119.327 -5.14E+11 -7.90E+12 bx F280HN-F280CB-F280N 8.259 39.149 119.529 3.96E+11 6.05E+12 bx F280HN-F280CA-F280N 8.258 62.464 119.529 -6.09E+11 -8.87E+12 bx L254HN-L254CA-L254N 7.653 57.999 123.320 -5.49E+11 -8.88E+12 bx L254HN-L254CB-L254N 7.656 42.591 123.320 3.33E+11 5.41E+12 bx I252HN-I252CB-I252N 7.643 34.001 123.370 2.06E+11 3.87E+12 bx I252HN-I252CA-I252N 7.638 61.268 123.370 -3.37E+11 -6.01E+12 bx I279HN-I279CB-I279N 8.614 37.920 119.726 3.38E+11 5.45E+12 bx I279HN-I279CA-I279N 8.619 64.650 119.726 -5.72E+11 -8.22E+12 bx T232HN-T232CB-T232N 8.707 68.328 119.140 5.01E+11 7.29E+12 bx T232HN-T232CA-T232N 8.709 67.288 119.151 -3.06E+11 -4.20E+12 bx V269HN-V269CB-V269N 8.171 31.939 116.564 3.97E+11 6.61E+12 bx V269HN-V269CA-V269N 8.172 66.013 116.513 -7.02E+11 -1.07E+13 bx E291HN-E291CA-E291N 8.123 58.213 127.238 -3.77E+12 -5.64E+13 bx E184HN-E184CA-E184N 7.364 59.539 116.291 -1.11E+12 -1.71E+13 bx E184HN-E184CB-E184N 7.364 29.485 116.307 8.15E+11 1.34E+13 bx K214HN-K214CA-K214N 8.946 59.044 129.280 -2.14E+11 -3.23E+12 bx R202HN-R202CB-R202N 7.579 31.383 120.763 8.07E+11 1.25E+13 bx R202HN-R202CA-R202N 7.580 55.497 120.760 -7.07E+11 -1.14E+13 bx I245HN-I245CB-I245N 9.011 37.784 120.030 1.41E+11 2.15E+12 bx I245HN-I245CA-I245N 9.014 65.145 120.030 -2.02E+11 -2.66E+12 bx D253HN-D253CB-D253N 8.838 39.489 120.830 6.88E+11 1.10E+13 bx D253HN-D253CA-D253N 8.843 57.568 120.830 -7.38E+11 -1.10E+13 bx E264HN-E264CB-E264N 8.692 29.315 118.871 1.01E+12 1.50E+13 bx E264HN-E264CA-E264N 8.692 54.790 118.871 -1.21E+12 -1.71E+13 bx E288HN-E288CB-E288N 8.204 29.839 119.263 6.63E+11 1.02E+13 bx V215HN-V215CB-V215N 7.581 32.343 115.759 7.22E+11 1.21E+13 bx V215HN-V215CA-V215N 7.584 64.481 115.759 -9.15E+11 -1.41E+13 bx Q235HN-Q235CB-Q235N 8.050 31.750 117.086 4.33E+11 6.66E+12 bx Q235HN-Q235CA-Q235N 8.056 58.249 117.086 -5.33E+11 -8.09E+12 bx L190HN-L190CB-L190N 8.133 41.547 117.451 5.02E+11 7.81E+12 bx L190HN-L190CA-L190N 8.128 57.687 117.451 -5.24E+11 -7.95E+12 bx I287HN-I287CB-I287N 7.884 38.908 117.078 3.87E+11 6.11E+12 bx I287HN-I287CA-I287N 7.881 63.527 117.078 -6.06E+11 -9.15E+12 bx K183HN-K183CB-K183N 7.889 32.590 117.623 6.26E+11 9.54E+12 bx K183HN-K183CA-K183N 7.889 60.736 117.623 -9.19E+11 -1.34E+13 bx H289HN-H289CB-H289N 7.790 29.486 117.712 9.72E+11 1.49E+13 bx Q238HN-Q238CB-Q238N 7.818 28.191 117.712 6.36E+11 1.00E+13 bx I223HN-I223CB-I223N 7.079 40.397 115.756 5.32E+11 8.86E+12 bx I223HN-I223CA-I223N 7.081 62.235 115.756 -7.48E+11 -1.18E+13 bx L255HN-L254CB-L255N 8.152 42.608 121.403 4.77E+11 7.03E+12 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118.818 3.42E+11 4.79E+12 bx K257HN-A256CA-K257N 8.578 55.078 120.265 -2.76E+11 -3.90E+12 bx I279HN-K278CB-I279N 8.616 32.543 119.760 1.27E+11 2.14E+12 bx I279HN-K278CA-I279N 8.617 60.218 119.760 -1.52E+11 -2.35E+12 bx A180HN-P179CA-A180N 8.261 58.790 122.120 -1.39E+11 -2.24E+12 bx A180HN-P179CB-A180N 8.264 31.480 122.120 1.04E+11 1.89E+12 bx K183HN-L182CB-K183N 7.884 41.357 117.665 1.99E+11 2.84E+12 bx K183HN-L182CA-K183N 7.886 57.897 117.665 -2.44E+11 -3.65E+12 bx I185HN-E184CB-I185N 7.745 29.513 120.051 2.21E+11 3.43E+12 bx I185HN-E184CA-I185N 7.741 59.411 120.051 -2.49E+11 -3.85E+12 bx Q188HN-E187CA-Q188N 7.920 60.369 120.504 -2.37E+11 -3.70E+12 bx Q188HN-E187CB-Q188N 7.918 29.352 120.504 6.42E+11 1.07E+13 bx L189HN-L189CB-L189N 8.108 41.303 122.289 3.55E+11 5.94E+12 bx L189HN-Q188CB-L189N 8.111 29.033 122.289 1.93E+11 3.01E+12 bx L189HN-Q188CA-L189N 8.109 59.202 122.289 -2.34E+11 -4.68E+12 bx L189HN-L189CA-L189N 8.110 58.689 122.289 -4.93E+11 -8.39E+12 bx L190HN-L189CA-L190N 8.133 58.605 117.434 -2.09E+11 -3.17E+12 bx L190HN-L189CB-L190N 8.134 41.193 117.434 2.56E+11 4.53E+12 bx E191HN-L190CB-E191N 8.447 41.636 119.357 1.78E+11 2.81E+12 bx E191HN-L190CA-E191N 8.449 57.510 119.357 -2.47E+11 -4.01E+12 bx A192HN-E191CA-A192N 7.384 59.269 116.517 -2.84E+11 -6.45E+12 bx N198HN-T197CB-N198N 8.522 72.325 120.570 1.72E+11 2.64E+12 bx N198HN-T197CA-N198N 8.523 59.200 120.578 -1.35E+11 -2.26E+12 bx S200HN-P199CA-S200N 7.648 65.819 110.509 -7.90E+10 5.11E+11 bx R202HN-G201CA-R202N 7.581 44.982 120.742 -1.96E+11 -2.99E+12 bx S205HN-I204CB-S205N 9.141 37.819 111.831 7.22E+10 1.21E+12 bx F208HN-L207CA-F208N 7.894 55.738 115.988 -1.82E+11 -2.58E+12 bx K210HN-K210CA-K210N 7.827 53.686 114.386 -1.76E+12 -2.55E+13 bx K210HN-Q209CA-K210N 7.825 59.586 114.386 -3.24E+11 -4.62E+12 bx K210HN-Q209CB-K210N 7.826 28.721 114.386 2.35E+11 3.71E+12 bx Q216HN-V215CB-Q216N 7.135 32.307 117.280 1.76E+11 2.85E+12 bx Q216HN-V215CA-Q216N 7.134 64.509 117.280 -2.02E+11 -3.19E+12 bx E226HN-K225CB-E226N 8.415 32.606 119.263 3.86E+11 5.66E+12 bx E226HN-K225CA-E226N 8.417 57.280 119.263 -3.50E+11 -5.61E+12 bx K231HN-L230CB-K231N 8.246 41.659 122.713 1.51E+11 2.32E+12 bx K231HN-L230CA-K231N 8.245 57.611 122.713 -2.13E+11 -2.88E+12 bx A234HN-I233CA-A234N 8.507 65.768 120.797 -1.94E+11 -3.01E+12 bx A234HN-I233CB-A234N 8.516 38.761 120.797 5.03E+11 8.80E+12 bx Q235HN-?-Q235N 8.053 55.236 117.056 -1.65E+11 -2.33E+12 bx Q235HN-?-Q235N 8.054 19.315 117.056 1.70E+11 2.43E+12 bx R236HN-?-R236N 8.114 28.534 120.885 1.51E+11 2.34E+12 bx R236HN-?-R236N 8.115 58.897 120.885 -1.23E+11 -2.42E+12 bx Q238HN-I237CB-Q238N 7.818 38.941 117.711 1.23E+11 2.24E+12 bx Q238HN-I237CA-Q238N 7.810 66.068 117.711 -1.58E+11 -2.63E+12 bx Y242HN-S241CA-Y242N 7.996 61.270 118.814 -1.51E+11 -2.38E+12 bx Y242HN-S241CB-Y242N 7.992 63.101 118.814 2.99E+11 4.19E+12 bx H246HN-I245CA-H246N 8.070 65.133 119.564 -5.65E+10 -7.63E+11 bx H246HN-I245CB-H246N 8.073 37.805 119.564 6.41E+10 9.13E+11 bx A247HN-H246CB-A247N 7.758 30.201 120.493 1.66E+11 2.75E+12 bx A247HN-H246CA-A247N 7.759 59.067 120.493 -1.47E+11 -3.16E+12 bx K250HN-A249CB-K250N 7.593 17.917 115.042 3.26E+11 4.85E+12 bx L255HN-L254CA-L255N 8.148 58.023 121.362 -1.07E+11 -2.29E+12 bx A256HN-A256CB-A256N 8.392 18.757 123.228 5.15E+11 8.18E+12 bx K257HN-A256CB-K257N 8.577 18.643 120.229 2.00E+10 8.29E+11 bx T261HN-K260CB-T261N 7.977 31.733 115.911 9.62E+10 1.88E+12 bx T261HN-K260CA-T261N 7.978 58.240 115.911 -8.30E+10 -1.70E+12 bx S267HN-G266CA-S267N 7.921 45.323 115.984 -1.35E+11 -2.34E+12 bx Q268HN-S267CB-Q268N 8.994 65.457 123.623 2.49E+10 4.87E+11 bx Q268HN-S267CA-Q268N 9.017 58.450 123.623 -2.21E+10 -4.89E+11 bx A273HN-?-A273N 8.201 42.595 120.058 1.29E+11 2.14E+12 bx K278HN-K277CB-K278N 8.098 32.758 118.669 5.37E+11 8.40E+12 bx K278HN-K277CA-K278N 8.099 60.534 118.669 -4.85E+11 -8.19E+12 bx F280HN-I279CB-F280N 8.256 37.898 119.542 1.53E+11 2.40E+12 bx F280HN-I279CA-F280N 8.259 64.652 119.542 -1.98E+11 -2.96E+12 bx K283HN-?-K283N 8.352 29.911 120.560 1.43E+11 2.23E+12 bx K284HN-K284CB-K284N 8.137 33.048 121.232 9.56E+10 1.56E+12 bx K284HN-K283CB-K284N 8.139 32.958 121.232 9.42E+10 1.51E+12 bx K284HN-K284CA-K284N 8.152 59.335 121.232 -3.85E+11 -7.47E+12 bx K284HN-K283CA-K284N 8.149 60.110 121.255 -4.04E+10 -9.31E+11 bx E288HN-I287CA-E288N 8.206 63.550 119.259 -1.59E+11 -2.60E+12 bx H289HN-E288CA-H289N 7.789 57.886 117.741 -2.03E+11 -3.67E+12 bx H289HN-E288CB-H289N 7.788 29.847 117.741 5.25E+11 9.34E+12 bx E288HN-I287CB-E288N 8.195 38.836 119.263 1.52E+11 3.20E+12 bx I287HN-E286CB-I287N 7.871 30.305 117.081 1.28E+11 2.02E+12 bx ?-?-? 7.882 59.085 117.081 -1.83E+11 -2.77E+12 bx I237HN-R236CB-I237N 7.954 29.489 119.340 3.60E+10 7.15E+11 bx I237HN-R236CA-I237N 7.952 59.501 119.340 -1.56E+11 -2.54E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 5 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 5 3 . . 13C 13 'CA, CB' . aliased 60 ppm . . . . . . 51326 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51326 5 2 $software_2 . . 51326 5 3 $software_3 . . 51326 5 stop_ save_