######################### # 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 30687 _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 TROSY-[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 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 Data Height Lys3N-HN 124.171 8.506 3657702 Thr4N-HN 115.669 8.410 6904455 Ile5N-HN 122.556 8.402 15175020 Gln6N-HN 124.393 8.359 2822366 Glu7N-HN 122.003 8.217 7023349 Lys8N-HN 121.994 8.054 2843585 Glu9N-HN 122.817 8.289 6035610 Glu11N-HN 122.078 8.340 30345616 Leu12N-HN 124.546 8.196 5690927 Lys13N-HN 122.846 8.140 5660849 Asn14N-HN 119.115 8.186 4116703 Leu15N-HN 121.428 8.037 36910988 Lys16N-HN 121.873 8.203 7465201 Asp17N-HN 121.961 8.719 5131759 Asn18N-HN 118.417 8.177 17455888 Val19N-HN 120.731 8.071 30670876 Glu20N-HN 122.741 7.911 27447274 Leu21N-HN 121.411 8.027 61722608 Glu22N-HN 122.981 8.528 1938147 Arg23N-HN 124.221 8.445 5509054 Leu24N-HN 120.557 8.610 2699191 Lys25N-HN 120.854 8.066 13085149 Asn26N-HN 121.130 8.246 31940588 Glu27N-HN 122.408 8.480 14106275 Arg28N-HN 121.786 8.121 16843986 His29N-HN 116.946 7.722 1709921 Asp30N-HN 118.879 8.165 5304014 His31N-HN 118.208 8.178 15138648 Asp32N-HN 122.407 8.010 22432404 Glu33N-HN 121.796 8.456 4148209 Glu34N-HN 121.466 8.306 21918796 Ala35N-HN 123.366 8.088 22586956 Glu36N-HN 119.532 8.091 28138404 Arg37N-HN 120.081 7.781 9624454 Lys38N-HN 121.296 8.152 18045698 Ala39N-HN 122.865 7.922 20365230 Leu40N-HN 120.293 7.811 27486526 Glu41N-HN 120.695 8.080 37309864 Asp42N-HN 120.995 8.246 32463138 Lys43N-HN 121.487 8.117 14367586 Leu44N-HN 122.946 7.935 8485730 Ala45N-HN 123.828 7.912 20962584 Asp46N-HN 120.376 8.140 2226441 Lys47N-HN 121.282 7.937 24669104 Gln48N-HN 122.530 8.395 13411860 Glu49N-HN 122.506 8.389 7155198 His50N-HN 120.382 8.467 4105410 Leu51N-HN 125.520 8.290 4353170 Asp52N-HN 121.868 8.360 34116456 Gly53N-HN 114.869 8.291 8236611 Ala54N-HN 123.781 8.213 9423522 Leu55N-HN 122.400 8.235 5298916 Arg56N-HN 122.466 8.022 53682496 Tyr57N-HN 126.654 7.639 57889104 ; 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 . . 17 ppm . . . 4.7 . . 30687 1 2 . . N 15 N . . 26 ppm . . . 119 . . 30687 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 30687 _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-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 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 Data Height Val2N-HN 124.293 7.883 38278860 Glu3N-HN 125.935 8.404 233714064 Phe4N-HN 122.244 8.267 199726448 Ser5N-HN 118.262 8.114 150258576 Glu6N-HN 123.470 8.364 96201040 Glu7N-HN 123.192 8.366 161534688 Cys8N-HN 115.481 7.873 91909208 Met9N-HN 117.976 9.313 32102574 His10N-HN 124.801 9.470 33005740 Ser12N-HN 122.382 8.965 24944256 Gly13N-HN 109.657 8.970 39608176 Glu14N-HN 124.218 9.526 47979712 Asn15N-HN 113.385 8.382 33368508 Tyr16N-HN 121.862 7.563 38970776 Asp17N-HN 130.742 8.676 28347246 Lys19N-HN 118.000 9.212 31967672 Ile20N-HN 123.190 7.488 36933272 Ser21N-HN 123.288 8.752 39915412 Lys22N-HN 120.064 7.090 57879848 Thr23N-HN 111.628 9.073 40631752 Met24N-HN 118.598 9.332 23187176 Ser25N-HN 115.380 7.821 32958340 Gly26N-HN 111.251 8.082 37595644 Leu27N-HN 121.188 7.129 38337704 Glu28N-HN 122.959 8.639 51754096 Cys29N-HN 126.052 8.569 28224192 Gln30N-HN 128.100 9.607 21201828 Ala31N-HN 129.112 8.666 37085064 Trp32N-HE1 131.959 11.380 44601928 Trp32N-HN 123.930 7.649 32665132 Asp33N-HN 113.826 8.725 45796904 Ser34N-HN 114.892 7.990 64614504 Gln35N-HN 124.110 8.316 35804936 Ser36N-HN 113.395 7.668 47571360 His38N-HN 123.449 8.729 44792880 Ala39N-HN 128.710 8.553 39020620 His40N-HN 121.210 9.217 40844552 Gly41N-HN 106.655 9.048 20717728 Tyr42N-HN 134.013 11.948 24382108 Ile43N-HN 119.239 7.006 41111452 Ser45N-HN 108.147 7.926 44066008 Lys46N-HN 122.637 7.686 35750632 Phe47N-HN 115.801 6.932 79188072 Asn49N-HN 115.382 8.591 41805520 Lys50N-HN 116.487 7.580 39733904 Leu52N-HN 122.309 8.811 30305388 Lys53N-HN 124.751 7.065 42560104 Lys54N-HN 118.537 8.729 37656812 Asn55N-HN 124.378 7.514 28185318 Tyr56N-HN 115.665 7.564 45849612 Cys57N-HN 119.709 9.084 36164720 Arg58N-HN 123.333 9.102 21897120 Asn59N-HN 114.088 8.835 24824580 Asp61N-HN 119.066 8.857 38197592 Arg62N-HN 115.638 8.218 39449540 Asp63N-HN 121.813 9.549 36427028 Leu64N-HN 122.154 10.785 27839308 Arg65N-HN 109.313 7.579 49888516 Trp67N-HE1 130.198 10.190 25831152 Trp67N-HN 121.708 8.668 27996260 Cys68N-HN 110.058 8.331 32126200 Phe69N-HN 120.954 7.965 21830312 Thr70N-HN 112.683 7.837 32451168 Thr71N-HN 104.597 8.004 26279820 Asp72N-HN 126.634 8.982 37696416 Asn74N-HN 114.521 8.891 52963916 Lys75N-HN 123.384 7.880 53614828 Arg76N-HN 129.482 8.758 27257714 Trp77N-HE1 132.035 9.547 50579912 Trp77N-HN 109.141 7.314 52244172 Glu78N-HN 119.809 8.579 30822024 Tyr79N-HN 119.827 7.529 28072304 Cys80N-HN 118.943 9.321 23481128 Asp81N-HN 125.166 9.663 39811656 Ile82N-HN 125.646 7.751 45746296 Arg84N-HN 122.705 8.592 58057500 Cys85N-HN 124.461 8.739 46192196 Ala86N-HN 126.840 8.656 76212824 Ala87N-HN 128.849 7.823 248787808 ; 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 . . 17 ppm . . . 4.7 . . 30687 2 2 . . N 15 N . . 36 ppm . . . 119 . . 30687 2 stop_ save_