######################### # 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 54027 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'BsNusG CTD HMQC 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 1H-15N HMQC' _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 N21N-N21HN 111.554 8.824 L59N-L59HN 127.103 8.085 D30N-D30HN 126.893 8.659 L51N-L51HN 126.875 8.87 E50N-E50HN 126.709 8.404 F39N-F39HN 126.435 8.932 V38N-V38HN 126.048 8.979 V40N-V40HN 125.633 8.527 N41N-N41HN 125.444 8.956 V14N-V14HN 125.372 8.629 M42N-M42HN 125.211 8.199 G24N-G24HN 124.834 8.615 D5N-D5HN 124.262 8.052 I26N-I26HN 123.835 8.512 E10N-E10HN 123.156 7.774 V49N-V49HN 123.118 8.995 I29N-I29HN 123.061 8.648 Y31N-Y31HN 123.016 8.688 K37N-K37HN 122.805 8.295 T47N-T47HN 122.354 8.779 T54N-T54HN 122.366 8.494 K58N-K58HN 121.166 8.542 A20N-A20HN 121.023 7.414 R45N-R45HN 120.394 7.565 F53N-F53HN 120.264 8.262 L8N-L8HN 120.077 8.409 D32N-D32HN 119.811 8.334 D16N-D16HN 119.765 7.346 V12N-V12HN 119.576 9.127 I15N-I15HN 119.526 8.585 F22N-F22HN 119.532 8.142 E7N-E7HN 119.21 8.648 I4N-I4HN 118.61 7.803 E52N-E52HN 118.383 8.887 K13N-K13HN 118.281 8.546 F6N-F6HN 117.955 7.481 Q55N-Q55HN 117.749 7.874 D57N-D57HN 117.658 8.949 E28N-E28HN 117.24 7.508 F19N-F19HN 116.632 8.965 K33N-K33HN 116.313 7.602 K35N-K35HN 116.328 7.555 K9N-K9HN 115.76 9.171 V36N-V36HN 115.005 9.121 T23N-T23HN 109.203 8.504 E27N-E27HN 108.84 8.887 G17N-G17HN 108.668 8.111 S25N-S25HN 112.111 7.876 I56N-I56HN 111.893 7.214 S34N-S34HN 114.022 7.458 N41ND2-N41HD21 110.83 7.446 N41ND2-N41HD22 110.83 6.688 Q55NE2-Q55HE21 112.812 8.335 Q55NE2-Q55HE22 112.822 6.729 N21ND2-N21HD21 114.213 7.366 N21ND2-N21HD22 114.23 6.904 ; 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 . . N 15 N . 'not observed' 20 ppm . . . . . . 54027 1 2 . . H 1 HN . 'not observed' 16.0221 ppm . . . . . . 54027 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 . . 54027 1 2 $software_2 . . 54027 1 3 $software_3 . . 54027 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 54027 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'BsNusG CTD TOCSY 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 '3D 1H-15N TOCSY' _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 T47N-T47HA-T47HN 122.34 4.61 8.777 T47N-T47HB-T47HN 122.345 3.736 8.777 T47N-T47HG1-T47HN 122.339 0.945 8.777 L8N-L8HA-L8HN 120.062 3.66 8.404 L8N-L8HB2-L8HN 120.073 1.616 8.404 L8N-L8HG-L8HN 120.063 1.346 8.404 L8N-L8QD1-L8HN 120.194 0.877 8.403 L8N-L8QD2-L8HN 120.103 0.738 8.399 K9N-K9HB2-K9HN 115.757 1.927 9.165 K9N-K9HG2-K9HN 115.744 1.27 9.164 E10N-E10HA-E10HN 123.145 4.144 7.77 E10N-E10HG2-E10HN 123.148 2.335 7.77 E10N-E10HB2-E10HN 123.143 2.181 7.77 G24N-G24HA1-G24HN 124.834 3.809 8.612 G24N-G24HA2-G24HN 124.847 4.478 8.612 S25N-S25HA-S25HN 112.112 5.089 7.872 S25N-S25HB2-S25HN 112.111 3.649 7.871 S25N-S25HB3-S25HN 112.113 3.523 7.871 T23N-T23HG1-T23HN 109.225 1.101 8.499 T23N-T23HB-T23HN 109.135 4.143 8.502 T23N-T23HA-T23HN 109.205 5.48 8.499 I26N-I26HA-I26HN 123.81 3.809 8.506 I26N-I26HB-I26HN 123.824 2.017 8.507 E27N-E27HA-E27HN 108.834 4.46 8.885 E27N-E27HB2-E27HN 108.823 1 8.884 E27N-E27HB3-E27HN 108.821 0.869 8.885 E27N-E27HG3-E27HN 108.84 1.814 8.886 E27N-E27HG2-E27HN 108.84 1.751 8.887 F22N-F22HB2-F22HN 119.535 3.302 8.141 F22N-F22HB3-F22HN 119.531 3.148 8.141 F22N-F22HA-F22HN 119.541 4.769 8.14 N21N-N21HA-N21HN 111.557 4.13 8.823 N21N-N21HB2-N21HN 111.564 3.161 8.824 N21N-N21HB3-N21HN 111.549 2.757 8.823 A20N-A20QB-A20HN 121.021 1.148 7.41 A20N-A20HA-A20HN 121.038 3.502 7.41 F19N-F19HA-F19HN 116.619 4.514 8.961 F19N-F19HB2-F19HN 116.619 3.212 8.96 F19N-F19HB3-F19HN 116.623 2.937 8.959 E28N-E28HA-E28HN 117.235 4.343 7.505 E28N-E28HG2-E28HN 117.235 2.106 7.506 E28N-E28HB2-E28HN 117.235 1.812 7.506 I29N-I29HG12-I29HN 123.057 1.269 8.642 I29N-I29HG13-I29HN 123.057 0.611 8.641 I29N-I29QD1-I29HN 123.064 0.319 8.642 I29N-I29HA-I29HN 123.05 4.228 8.642 D30N-D30HA-D30HN 126.902 4.845 8.657 D30N-D30HB2-D30HN 126.904 2.745 8.658 D30N-D30HB3-D30HN 126.901 2.296 8.658 Y31N-Y31HA-Y31HN 123.011 4.232 8.682 Y31N-Y31HB2-Y31HN 123.032 3.223 8.683 Y31N-Y31HB3-Y31HN 122.999 2.845 8.682 I4N-I4HA-I4HN 118.61 4.063 7.796 I4N-I4HB-I4HN 118.606 1.66 7.796 I4N-I4QD1-I4HN 118.613 0.589 7.796 D5N-D5HA-D5HN 124.23 4.548 8.046 D5N-D5HB2-D5HN 124.234 2.398 8.045 F6N-F6HA-F6HN 117.96 4.971 7.475 F6N-F6HB2-F6HN 117.949 2.748 7.475 F6N-F6HB3-F6HN 117.941 2.113 7.474 F39N-F39HA-F39HN 126.43 4.896 8.93 K9N-K9HA-K9HN 115.74 3.669 9.165 K9N-K9HE2-K9HN 115.685 2.899 9.166 V49N-V49HA-V49HN 123.105 4.096 8.991 V49N-V49HB-V49HN 123.107 1.597 8.989 V49N-V49QG1-V49HN 123.103 0.54 8.99 V49N-V49QG2-V49HN 123.1 0.296 8.99 E50N-E50HA-E50HN 126.703 4.985 8.398 E50N-E50HG2-E50HN 126.709 2.04 8.397 E50N-E50HB2-E50HN 126.706 1.856 8.398 L51N-L51HA-L51HN 126.888 4.779 8.87 L51N-L51HB2-L51HN 126.877 1.535 8.87 L51N-L51HG-L51HN 126.883 1.172 8.871 L51N-L51QD1-L51HN 126.898 0.822 8.867 L51N-L51QD2-L51HN 126.868 0.541 8.869 E52N-E52HA-E52HN 118.378 4.753 8.884 E52N-E52HG2-E52HN 118.381 2.351 8.883 E52N-E52HG3-E52HN 118.363 2.249 8.883 E52N-E52HB2-E52HN 118.387 1.773 8.883 F53N-F53HA-F53HN 120.243 4.105 8.259 F53N-F53HB2-F53HN 120.229 3.246 8.257 F53N-F53HB3-F53HN 120.222 3.06 8.253 T54N-T54HA-T54HN 122.348 4.923 8.487 T54N-T54HB-T54HN 122.336 4.016 8.487 T54N-T54HG1-T54HN 122.343 1.15 8.487 V40N-V40HA-V40HN 125.614 4.103 8.522 V40N-V40HB-V40HN 125.601 1.684 8.522 V40N-V40QG1-V40HN 125.604 0.622 8.523 V40N-V40QG2-V40HN 125.616 0.423 8.523 F39N-F39HB2-F39HN 126.441 3.095 8.93 F39N-F39HB3-F39HN 126.432 2.739 8.929 V38N-V38HA-V38HN 126.054 4.864 8.975 V38N-V38HB-V38HN 126.033 1.496 8.975 V38N-V38QG1-V38HN 126.045 0.506 8.975 V38N-V38QG2-V38HN 126.038 0.329 8.975 K37N-K37HA-K37HN 122.803 4.946 8.295 K37N-K37HE2-K37HN 122.801 2.724 8.294 K37N-K37HB2-K37HN 122.817 1.537 8.295 K37N-K37HD2-K37HN 122.809 1.173 8.296 K37N-K37HG2-K37HN 122.817 1.028 8.295 V36N-V36HA-V36HN 115.004 4.842 9.115 V36N-V36HB-V36HN 114.935 1.733 9.116 V36N-V36QG1-V36HN 115.006 0.536 9.113 V36N-V36QG2-V36HN 115.005 0.464 9.113 K35N-K35HA-K35HN 116.351 4.956 7.553 K35N-K35HE2-K35HN 116.362 2.767 7.555 K35N-K35HB2-K35HN 116.327 1.547 7.553 K35N-K35HD2-K35HN 116.348 1.349 7.554 K35N-K35HG2-K35HN 116.338 1.081 7.553 L59N-L59HA-L59HN 127.098 4.014 8.08 L59N-L59HB2-L59HN 127.1 1.556 8.081 L59N-L59HG-L59HN 127.104 1.434 8.081 L59N-L59QD1-L59HN 127.103 0.797 8.081 K58N-K58HA-K58HN 121.176 4.545 8.538 K58N-K58HD2-K58HN 121.174 1.668 8.538 K58N-K58HG2-K58HN 121.17 1.5 8.538 K58N-K58HB2-K58HN 121.156 1.876 8.539 K58N-K58HE2-K58HN 121.095 2.71 8.537 D57N-D57HB2-D57HN 117.664 2.484 8.945 D57N-D57HA-D57HN 117.666 5.122 8.945 I56N-I56QD1-I56HN 111.88 0.54 7.209 I56N-I56HA-I56HN 111.901 5.344 7.212 I56N-I56HG12-I56HN 111.963 1.157 7.211 S34N-S34HA-S34HN 114.016 3.859 7.457 S34N-S34HB2-S34HN 114.011 3.44 7.456 S34N-S34HB3-S34HN 113.994 2.958 7.458 K33N-K33HA-K33HN 116.309 4.232 7.601 K33N-K33HE2-K33HN 116.313 2.885 7.601 K33N-K33HB2-K33HN 116.296 1.753 7.6 K33N-K33HB3-K33HN 116.302 1.512 7.6 K33N-K33HD2-K33HN 116.314 1.374 7.599 K33N-K33HG2-K33HN 116.309 1.228 7.601 D32N-D32HA-D32HN 119.811 4.49 8.332 D32N-D32HB2-D32HN 119.805 2.825 8.332 D32N-D32HB3-D32HN 119.81 2.692 8.332 Q55N-Q55HA-Q55HN 117.751 4.263 7.869 Q55N-Q55HG2-Q55HN 117.742 2.339 7.869 Q55N-Q55HB2-Q55HN 117.749 2.167 7.869 D5N-D5HB3-D5HN 124.238 2.278 8.047 E7N-E7HA-E7HN 119.219 4.601 8.647 E7N-E7HG2-E7HN 119.215 2.191 8.647 E7N-E7HB2-E7HN 119.206 1.994 8.647 E7N-E7HB3-E7HN 119.217 1.8 8.647 N41N-N41HA-N41HN 125.444 4.748 8.963 N41N-N41HB2-N41HN 125.511 2.835 8.952 N41N-N41HB3-N41HN 125.444 2.671 8.953 G17N-G17HA1-G17HN 108.645 4.297 8.108 G17N-G17HA2-G17HN 108.627 3.805 8.107 D16N-D16HA-D16HN 119.756 4.943 7.342 D16N-D16HB2-D16HN 119.755 2.811 7.342 D16N-D16HB3-D16HN 119.756 2.259 7.342 I15N-I15HA-I15HN 119.533 4.782 8.582 I15N-I15HB-I15HN 119.534 2.171 8.585 I15N-I15QG2-I15HN 119.536 0.764 8.58 K13N-K13HA-K13HN 118.281 4.677 8.541 K13N-K13HE2-K13HN 118.283 2.854 8.543 K13N-K13HG2-K13HN 118.283 1.207 8.542 K13N-K13HB3-K13HN 118.284 1.452 8.543 K13N-K13HB2-K13HN 118.28 1.572 8.542 V14N-V14HA-V14HN 125.36 4.259 8.626 V14N-V14HB-V14HN 125.362 2.381 8.624 V14N-V14QG1-V14HN 125.361 0.969 8.625 M42N-M42HA-M42HN 125.206 4.297 8.198 M42N-M42HG2-M42HN 125.208 1.761 8.198 M42N-M42HB2-M42HN 125.211 1.495 8.198 V12N-V12HA-V12HN 119.563 4.784 9.123 V12N-V12HB-V12HN 119.509 2.293 9.126 V12N-V12QG2-V12HN 119.576 0.424 9.124 R45N-R45HA-R45HN 120.392 4.496 7.564 R45N-R45HD2-R45HN 120.392 3.14 7.563 R45N-R45HB2-R45HN 120.396 1.737 7.564 R45N-R45HG2-R45HN 120.4 1.505 7.564 I56N-I56HB-I56HN 111.893 2.042 7.214 ; 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 . . N 15 N . 'not observed' 20 ppm . . . . . . 54027 2 2 . . H 1 HN . 'not observed' 16.0221 ppm . . . . . . 54027 2 3 . . H 1 H . 'not observed' 10.4 ppm . . . . . . 54027 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 . . 54027 2 2 $software_2 . . 54027 2 3 $software_3 . . 54027 2 stop_ save_