######################### # 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 27089 _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 . _Spectral_peak_list.Chem_shift_reference_label . _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 R15N-H 115.768 8.110 N16N-H 122.035 7.637 V17N-H 119.039 7.624 L20N-H 122.223 8.418 K22N-H 125.095 8.238 T23N-H 110.527 8.437 S24N-H 117.300 7.466 N26N-H 112.317 8.086 V27N-H 119.259 7.285 G28N-H 112.401 8.813 T29N-H 122.554 10.421 G30N-H 116.288 9.780 L31N-H 127.702 8.474 V32N-H 119.995 9.056 G33N-H 107.856 8.539 A34N-H 121.509 8.311 V39N-H 117.613 7.169 V40N-H 127.576 8.871 V47N-H 128.925 8.810 D48N-H 128.082 9.195 E49N-H 116.318 8.961 K50N-H 119.342 8.298 G51N-H 108.179 7.860 K52N-H 121.181 8.501 I53N-H 125.057 8.911 V54N-H 123.742 8.733 D55N-H 118.719 7.960 A56N-H 123.562 8.669 R57N-H 117.576 8.806 S69N-H 112.461 7.625 T74N-H 104.548 7.696 E75N-H 119.377 7.679 W76N-H 118.962 8.877 W76NE-H 129.102 10.256 V77N-H 108.879 7.772 K78N-H 118.376 6.768 G79N-H 112.052 9.118 K80N-H 120.419 7.755 T81N-H 110.011 8.714 V82N-H 117.803 8.248 E83N-H 115.768 8.110 E84N-H 119.781 7.841 A85N-H 124.152 8.905 L86N-H 115.303 7.373 T87N-H 107.560 7.740 I88N-H 123.151 7.070 K89N-H 124.748 8.392 N90N-H 122.287 10.002 T91N-H 109.923 7.403 D92N-H 122.193 7.181 I93N-H 121.144 7.280 A94N-H 118.678 8.230 K95N-H 116.608 7.801 E96N-H 120.419 7.755 L97N-H 112.818 7.329 C98N-H 117.943 7.937 L99N-H 117.222 7.823 C106N-H 119.106 7.468 D112N-H 119.290 8.486 A113N-H 124.795 9.147 I114N-H 118.809 7.920 K115N-H 117.803 8.248 A116N-H 122.652 8.725 A117N-H 124.898 8.517 L118N-H 117.898 8.357 A119N-H 122.396 8.252 D120N-H 119.794 8.035 Y121N-H 117.710 8.139 K122N-H 119.470 8.434 L123N-H 120.690 8.048 K124N-H 117.139 7.549 Q125N-H 114.286 7.354 E126N-H 121.045 7.629 K128N-H 122.004 8.475 E131N-H 120.706 8.270 A132N-H 124.748 8.392 E133N-H 120.118 8.326 K134N-H 123.561 8.313 K135N-H 128.829 8.018 ; 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 2 . . H,N 15 HN . . 6 ppm . . . . . . 27089 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 27089 _Spectral_peak_list.ID 2 _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 . _Spectral_peak_list.Chem_shift_reference_label . _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 R15N-H 115.767 8.111 N16N-H 122.009 7.638 V17N-H 119.084 7.622 G18N-H 115.209 8.682 L20N-H 122.227 8.418 K22N-H 125.109 8.240 T23N-H 110.509 8.439 S24N-H 117.292 7.464 N26N-H 112.306 8.084 V27N-H 119.251 7.285 G28N-H 112.390 8.814 T29N-H 122.530 10.419 G30N-H 116.278 9.779 L31N-H 127.706 8.475 V32N-H 119.994 9.055 G33N-H 107.819 8.540 A34N-H 121.492 8.312 C37N-H 111.417 7.588 G38N-H 109.085 7.834 V39N-H 117.592 7.164 V40N-H 127.523 8.873 M41N-H 127.830 9.127 K42N-H 126.804 8.264 L43N-H 128.084 9.195 Q44N-H 121.324 9.444 I45N-H 114.087 9.005 Q46N-H 123.153 8.394 V47N-H 128.925 8.810 D48N-H 128.084 9.195 E49N-H 116.294 8.962 K50N-H 119.343 8.299 G51N-H 108.164 7.858 K52N-H 121.164 8.501 I53N-H 125.067 8.908 V54N-H 123.757 8.732 D55N-H 118.707 7.959 A56N-H 123.557 8.667 R57N-H 117.555 8.805 F58N-H 116.781 8.526 K59N-H 119.739 8.895 T60N-H 124.955 8.643 G62N-H 109.875 8.049 C63N-H 118.009 7.094 A66N-H 134.425 9.109 I67N-H 121.855 8.165 A68N-H 121.834 8.291 S69N-H 112.458 7.624 A73N-H 118.723 7.735 T74N-H 104.527 7.696 E75N-H 119.374 7.678 W76N-H 118.940 8.875 W76NE-H 129.092 10.255 V77N-H 108.847 7.770 K78N-H 118.360 6.766 G79N-H 112.041 9.116 K80N-H 120.408 7.755 T81N-H 110.011 8.715 V82N-H 117.791 8.247 E83N-H 115.767 8.111 E84N-H 119.777 7.842 A85N-H 124.140 8.905 L86N-H 115.291 7.372 T87N-H 107.551 7.741 I88N-H 123.152 7.070 K89N-H 124.793 8.390 N90N-H 122.292 10.001 T91N-H 109.875 7.391 D92N-H 122.190 7.179 I93N-H 121.135 7.281 A94N-H 118.670 8.228 K95N-H 116.598 7.799 E96N-H 120.408 7.755 L97N-H 112.789 7.326 C98N-H 117.923 7.936 L99N-H 117.209 7.822 C106N-H 119.104 7.466 S107N-H 111.952 7.186 M108N-H 123.899 7.103 L109N-H 118.779 8.163 A110N-H 118.756 7.196 E111N-H 117.309 7.329 D112N-H 119.247 8.483 A113N-H 124.789 9.146 I114N-H 118.822 7.916 K115N-H 117.791 8.247 A116N-H 122.642 8.726 A117N-H 124.879 8.515 L118N-H 117.888 8.355 A119N-H 122.396 8.252 D120N-H 119.769 8.033 Y121N-H 117.716 8.139 K122N-H 119.478 8.433 L123N-H 120.666 8.047 K124N-H 117.130 7.549 Q125N-H 114.274 7.354 E126N-H 121.038 7.629 K128N-H 122.004 8.475 K129N-H 123.624 8.481 E131N-H 120.722 8.259 A132N-H 124.793 8.390 E133N-H 120.089 8.328 K134N-H 123.574 8.314 K135N-H 128.829 8.018 ; 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 2 . . H,N 15 HN . . 6 ppm . . . . . . 27089 2 stop_ save_