######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 52889 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name NCA_peak_list _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 NCA' _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 T30N-CA 115.129 62.258 K31N-CA 119.348 61.407 P32N-CA 134.101 66.137 A33N-CA 120.174 55.878 R36N-C 117.702 60.953 A38N-CA 120.45 55.415 G41N-CA 106.614 45.688 G42N-CA 105.405 45.144 V43N-CA 120.538 63.138 K44-1 NCA 126.513 57.998 K44-2 NCA 126.517 57.355 R45N-CA 122.216 55.017 G48N-CA 115.35 47.742 Y51N-CA 120.893 63.426 T54N-CA 115.226 68.045 R55N-CA 120.994 61.902 G56N-CA 104.711 47.711 V57N-CA 121.207 66.105 F61N-CA 120.526 61.893 V65N-CA 118.701 66.354 I66N-CA 119.592 66.712 A69N-CA 122.988 55.552 A76-1N-CA 119.576 51.913 A76-2N-CA 118.896 52.228 T80N-CA 117.072 60.612 V81N-CA 127.226 62.126 A83N-CA 122.256 56.141 V86N-CA 117.615 67.177 A89N-CA 124.603 55.871 G101N-CA 115.053 47.073 ; 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 . . C 13 13C . . . Hz . . . . . . 52889 1 2 . . N 15 15N . . . Hz . . . . . . 52889 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 . . 52889 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_2 _Spectral_peak_list.Entry_ID 52889 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name NCO_peak_list _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 2 _Spectral_peak_list.Experiment_name '2D NCO' _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 I29N-G28C 122.265 174.162 T30N-I29C 115.052 174.921 K31N-T30C 119.202 174.219 P32N-K31C 134.142 175.593 R39N-A38C 118.537 180.501 G41N-R40C 106.589 177.846 G42N-G41C 105.374 172.283 V43N-G42C 120.564 173.831 K44-1N-V43C 126.41 176.196 K44-2N-V43C 126.49 176.632 I46N-R45C 125.24 174.321 G48N-S47C 115.101 176.798 T54N-E53C 115.06 179.375 G56N-R55C 104.578 177.776 L58N-V57C 121.838 178.761 V70N-A69C 113.747 178.971 K77N-A76C 113.883 175.634 K79N-R78C 117.03 175.807 V81N-T80C 127.317 172.511 ; 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 . . C 13 13C . . . Hz . . . . . . 52889 2 2 . . N 15 15N . . . Hz . . . . . . 52889 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 . . 52889 2 stop_ save_