######################### # 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 27088 _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 V17N-H 119.241 7.717 L20N-H 122.123 8.372 K22N-H 124.847 8.218 T23N-H 110.650 8.422 S24N-H 117.319 7.455 N26N-H 112.432 8.086 V27N-H 119.135 7.278 G28N-H 112.454 8.819 T29N-H 122.392 10.378 G30N-H 115.499 9.748 L31N-H 127.641 8.469 V32N-H 119.884 8.951 G33N-H 107.514 8.477 A34N-H 121.616 8.283 G38N-H 104.352 8.343 D39N-H 118.243 6.734 V40N-H 123.874 9.287 L43N-H 128.716 9.203 Q44N-H 123.000 9.416 I45N-H 115.365 8.994 Q46N-H 123.661 8.392 V47N-H 128.982 8.790 D48N-H 128.069 9.196 E49N-H 116.254 8.945 K50N-H 119.363 8.294 G51N-H 108.236 7.855 K52N-H 121.304 8.503 I53N-H 125.184 8.931 V54N-H 123.788 8.711 D55N-H 118.585 7.937 A56N-H 123.687 8.653 R57N-H 117.620 8.848 F58N-H 117.670 8.627 K59N-H 119.655 8.846 F61N-H 127.048 8.952 G62N-H 111.447 8.180 C63N-H 122.200 9.278 A66N-H 132.672 8.522 I67N-H 122.679 7.584 A68N-H 121.235 8.005 S69N-H 112.182 7.700 L72N-H 119.193 7.611 A73N-H 118.585 7.937 T74N-H 105.123 7.728 E75N-H 119.038 7.476 W76N-H 118.945 8.772 W76NE-NE 129.023 10.257 V77N-H 109.574 7.880 K78N-H 118.036 6.768 G79N-H 112.147 9.059 K80N-H 120.413 7.721 T81N-H 110.145 8.746 V82N-H 118.073 8.236 E83N-H 115.668 8.125 E84N-H 119.683 7.846 A85N-H 124.277 8.912 L86N-H 115.543 7.398 T87N-H 107.678 7.694 I88N-H 122.940 7.052 K89N-H 125.243 8.467 D92N-H 122.201 7.245 I93N-H 121.129 7.230 A94N-H 118.896 8.216 K95N-H 116.532 7.756 E96N-H 120.433 7.686 L97N-H 112.745 7.343 C98N-H 117.869 7.860 L99N-H 117.357 7.930 K103N-H 116.632 8.225 L104N-H 124.028 7.763 C106N-H 120.848 7.483 S107N-H 114.303 7.344 I108N-H 125.896 7.082 L109N-H 119.241 7.717 A110N-H 116.428 7.023 E111N-H 117.536 7.490 D112N-H 119.407 8.920 A113N-H 124.884 8.937 I114N-H 119.101 7.980 K115N-H 117.424 8.244 A116N-H 122.186 8.609 A117N-H 124.447 8.661 L118N-H 117.530 8.353 A119N-H 122.708 8.260 D120N-H 119.661 7.924 Y121N-H 117.717 8.109 K122N-H 119.504 8.457 L123N-H 120.632 8.006 K124N-H 117.067 7.529 Q125N-H 114.303 7.344 E126N-H 121.060 7.626 K128N-H 121.998 8.460 K129N-H 123.661 8.392 E131N-H 120.666 8.248 A132N-H 124.653 8.383 E133N-H 120.100 8.311 K134N-H 123.541 8.297 K135N-H 128.822 8.002 ; 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 . . . . . . 27088 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 27088 _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 V17N-H 119.288 7.717 G18N-H 115.302 8.705 L20N-H 122.114 8.376 K22N-H 124.837 8.217 T23N-H 110.640 8.422 S24N-H 117.320 7.455 N26N-H 112.428 8.086 V27N-H 119.133 7.279 G28N-H 112.465 8.820 T29N-H 122.389 10.378 G30N-H 115.524 9.758 L31N-H 127.564 8.460 V32N-H 119.708 8.948 G33N-H 107.475 8.493 A34N-H 121.591 8.273 G38N-H 104.351 8.351 D39N-H 118.211 6.734 V40N-H 123.858 9.264 M41N-H 128.048 9.197 K42N-H 128.482 8.482 L43N-H 128.689 9.212 Q44N-H 123.028 9.421 I45N-H 115.345 8.992 Q46N-H 123.687 8.392 V47N-H 128.984 8.790 D48N-H 128.048 9.197 E49N-H 116.259 8.947 K50N-H 119.347 8.293 G51N-H 108.228 7.855 K52N-H 121.294 8.502 I53N-H 125.237 8.931 V54N-H 123.792 8.709 D55N-H 118.578 7.938 A56N-H 123.678 8.656 R57N-H 117.594 8.847 F58N-H 117.663 8.626 K59N-H 119.584 8.845 F61N-H 127.084 8.968 G62N-H 111.431 8.190 C63N-H 122.116 9.274 A66N-H 132.639 8.517 I67N-H 122.730 7.579 A68N-H 121.239 7.997 S69N-H 112.100 7.687 L72N-H 119.148 7.600 A73N-H 118.578 7.938 T74N-H 105.032 7.732 E75N-H 119.025 7.474 W76N-H 118.955 8.774 W76NE-NE 129.013 10.255 V77N-H 109.573 7.877 K78N-H 118.012 6.757 G79N-H 112.139 9.057 K80N-H 120.401 7.720 T81N-H 110.143 8.749 V82N-H 118.078 8.233 E83N-H 115.659 8.125 E84N-H 119.674 7.846 A85N-H 124.262 8.913 L86N-H 115.532 7.398 T87N-H 107.688 7.694 I88N-H 122.948 7.051 K89N-H 125.253 8.469 N90N-H 121.749 9.767 T91N-H 110.163 7.330 D92N-H 122.198 7.244 I93N-H 121.110 7.229 A94N-H 118.874 8.213 K95N-H 116.538 7.755 E96N-H 120.445 7.684 L97N-H 112.712 7.339 C98N-H 117.780 7.855 L99N-H 117.300 7.935 K103N-H 116.606 8.225 L104N-H 124.051 7.769 C106N-H 120.885 7.487 S107N-H 114.305 7.343 I108N-H 125.892 7.076 L109N-H 119.288 7.717 A110N-H 116.414 7.021 E111N-H 117.552 7.489 D112N-H 119.409 8.927 A113N-H 124.849 8.929 I114N-H 119.093 7.980 K115N-H 117.411 8.243 A116N-H 122.178 8.609 A117N-H 124.449 8.664 L118N-H 117.543 8.354 A119N-H 122.706 8.258 D120N-H 119.654 7.922 Y121N-H 117.695 8.110 K122N-H 119.503 8.454 L123N-H 120.617 8.004 K124N-H 117.078 7.529 Q125N-H 114.305 7.343 E126N-H 121.062 7.626 K128N-H 122.000 8.458 K129N-H 123.687 8.392 E131N-H 120.955 8.275 A132N-H 124.796 8.388 E133N-H 120.085 8.310 K134N-H 123.525 8.299 K135N-H 128.822 8.002 ; 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 . . . . . . 27088 2 stop_ save_