######################### # 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 34589 _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 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 TROSY 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 E2N-H 125.381 8.794 T3N-H 105.308 7.703 S4N-H 117.839 9.291 R6N-H 119.963 9.054 Y7N-H 124.976 9.060 G8N-H 113.955 7.599 G9N-H 107.137 6.682 A13N-H 120.969 8.246 K15N-H 127.765 9.257 I16N-H 120.923 8.608 H17N-H 127.157 9.428 A18N-H 122.935 8.876 K19N-H 119.112 8.399 E20N-H 123.666 8.910 K21N-H 125.283 9.511 L22N-H 122.870 9.331 R23N-H 128.351 9.171 I24N-H 125.000 8.414 D25N-H 117.154 8.226 T28N-H 116.613 7.495 F29N-H 124.544 9.377 F30N-H 122.869 9.521 Q31N-H 127.352 9.242 V32N-H 122.836 8.649 R33N-H 123.719 8.700 G34N-H 106.868 8.482 G35N-H 107.643 8.241 L36N-H 123.512 9.064 D37N-H 124.828 8.122 T38N-H 116.358 8.030 K39N-H 118.302 7.989 T40N-H 119.322 8.569 G41N-H 111.233 8.361 Q42N-H 115.310 7.605 S44N-H 118.531 9.010 S45N-H 113.617 7.698 G46N-H 106.680 8.684 S47N-H 114.772 9.201 A48N-H 123.324 8.627 L49N-H 121.542 8.735 I50N-H 122.526 9.164 R51N-H 125.725 9.046 H52N-H 124.520 9.396 F53N-H 128.650 8.356 Y54N-H 123.982 8.396 S58N-H 117.541 7.869 A59N-H 119.998 7.058 T60N-H 116.316 8.953 L61N-H 126.378 9.013 G62N-H 111.068 9.224 V63N-H 118.976 8.651 G64N-H 111.886 8.904 V65N-H 116.403 8.838 R66N-H 121.861 9.225 Y67N-H 123.199 8.909 D68N-H 125.810 8.040 K69N-H 123.123 8.052 Q70N-H 124.059 8.538 D71N-H 117.919 8.213 S72N-H 116.054 8.132 V73N-H 121.097 7.983 G74N-H 112.207 8.326 V75N-H 119.472 7.812 R76N-H 123.570 8.194 Y77N-H 120.220 7.902 A78N-H 125.270 8.099 K79N-H 119.916 8.095 N80N-H 119.177 8.252 D81N-H 120.964 8.228 K82N-H 119.645 7.926 L83N-H 123.252 8.321 R84N-H 121.527 8.660 Y85N-H 121.782 8.814 T86N-H 115.569 8.739 V87N-H 123.093 8.485 L88N-H 125.702 8.972 A89N-H 124.143 9.099 K90N-H 117.626 8.688 K91N-H 122.503 8.752 T92N-H 122.425 8.431 F93N-H 126.118 10.020 V95N-H 121.330 8.644 T96N-H 105.622 7.303 G99N-H 107.903 7.892 L100N-H 119.702 8.231 V101N-H 117.510 7.246 N102N-H 124.624 9.079 F103N-H 121.876 9.182 K104N-H 127.427 8.882 I105N-H 120.202 8.541 K106N-H 122.544 8.542 G107N-H 107.014 8.824 G108N-H 107.880 8.880 C109N-H 116.419 8.720 D110N-H 122.701 8.818 V111N-H 121.073 8.953 D112N-H 123.761 7.779 Q113N-H 114.810 8.017 D114N-H 116.339 7.481 F115N-H 116.819 7.971 K116N-H 119.177 9.000 E117N-H 119.555 7.828 W118N-H 126.339 8.633 W118Ne-He 130.064 10.017 K119N-H 124.980 9.118 S120N-H 120.952 8.169 R121N-H 120.226 8.317 G122N-H 109.590 9.545 G123N-H 107.242 9.095 A124N-H 120.943 8.091 E125N-H 116.074 8.606 F126N-H 122.571 9.395 S127N-H 116.359 8.896 W128N-H 126.357 9.397 W128Ne-He 129.103 10.214 N129N-H 126.949 8.829 D136N-H 118.771 8.323 Q137N-H 118.739 7.730 D138N-H 124.888 8.493 V139N-H 123.256 8.343 R140N-H 126.658 9.070 L141N-H 127.554 8.908 R142N-H 124.191 9.194 I143N-H 122.016 8.721 G144N-H 112.786 8.346 Y145N-H 118.013 8.668 E146N-H 133.980 8.073 A147N-H 120.290 7.634 F148N-H 123.009 8.847 Q150N-H 121.075 9.708 V151N-H 115.569 7.582 Y153N-H 118.674 8.659 L154N-H 119.528 9.301 Q155N-H 124.702 9.403 I156N-H 126.426 9.258 R157N-H 128.851 9.091 E158N-H 126.505 9.099 W161N-H 123.235 8.795 T162N-H 117.337 9.171 F163N-H 126.494 9.522 N164N-H 124.888 8.707 A165N-H 119.721 8.619 D166N-H 117.670 8.546 Y167N-H 116.703 7.962 K168N-H 115.263 8.211 G169N-H 107.759 8.412 R170N-H 121.958 7.959 W171N-H 119.143 8.067 W171Ne-He 130.893 10.714 N172N-H 114.801 9.080 V173N-H 118.804 9.300 R174N-H 126.059 9.190 Y175N-H 124.807 8.933 D176N-H 128.407 8.130 L177N-H 122.711 8.326 L178N-H 121.084 7.856 E179N-H 121.887 8.501 ; 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 . . H 1 HN . . 14 ppm . . . 4.7 . . 34589 1 2 . . N 15 N . folded 31 ppm . . . 119.5 . . 34589 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 34589 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 11 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 L5CD2-MD2 23.659 0.912 A13CB-MB 19.349 1.102 L14CD2-MD2 25.036 0.933 I16CD1-MD1 12.994 0.742 A18CB-MB 22.342 1.261 L22CD2-MD2 24.898 0.962 I24CD1-MD1 12.727 0.774 V32CG2-MG2 19.794 0.773 L36CD2-MD2 24.354 0.639 A48CB-MB 20.571 1.324 L49CD2-MD2 24.259 0.484 I50CD1-MD1 12.300 0.825 A59CB-MB 23.111 1.382 L61CD2-MD2 24.355 0.991 V63CG2-MG2 19.899 1.015 V65CG2-MG2 20.033 0.940 V65'CG2-MG2 19.690 0.942 V73CG2-MG2 19.582 0.861 V75CG-MG2 19.383 0.815 A78CB-MB 18.590 1.315 L83CD2-MD2 24.105 0.659 V87CG2-MG2 20.356 1.055 L88CD2-MD2 24.469 0.484 A89CB-MB 22.241 1.303 V95CG2-MG2 21.666 1.088 L100CD2-MD2 22.677 0.704 V101CG2-MG2 20.824 0.872 I105CD1-MD1 12.775 0.947 V111CG2-MG2 19.538 -0.195 A124CB-MB 23.125 1.324 V130CG2-MG2 21.721 0.818 V139CG2-MG2 20.743 0.710 L141CD2-MD2 24.865 0.938 I143CD1-MD1 12.609 0.860 A147CB-MB 21.131 1.340 V151CG2-MG2 20.605 1.006 L154CD2-MD2 25.744 0.895 I156CD1-MD1 13.010 0.845 A165CB-MB 22.875 1.448 V173CG2-MG2 21.449 1.522 L177CD2-MD2 23.873 0.866 L178CD2-MD2 22.765 0.763 ; 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 . . H 1 C-methyl . . 14 ppm . . . 4.7 . . 34589 2 2 . . C 13 C-methyl . . 23 ppm . . . 20.5 . . 34589 2 stop_ save_