######################### # 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 53026 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'Peak table for YY-B1AR-carvedilol - 600 MHz' _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' _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 'Peak table compiled from spectra acquired with 15N-tyrosine- and 15N-valine-labeled YY-B1AR-carvedilol.' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d NULLVALUE -666 NULLSTRING * 1 95.306 146.667 0.722 5.620 121.481 9.574 7388.199 5745.888 3.465 12.636 33.837 74.158 94 96 142 151 +3.756162e+06 +2.691662e+05 +8.788469e+07 0.00000 1 95 1 1 2 86.052 181.107 0.218 3.825 122.967 9.238 7478.565 5543.769 3.419 13.443 33.392 78.894 84 88 172 190 +8.441693e+06 +2.646975e+05 +4.040774e+08 0.00000 1 298 2 1 3 113.560 202.117 0.376 3.997 118.550 9.032 7209.937 5420.463 3.377 13.272 32.977 77.892 112 115 193 211 +8.543800e+06 +2.739040e+05 +3.640390e+08 0.00000 1 226 3 1 4 104.738 206.850 0.418 5.499 119.967 8.986 7296.093 5392.687 3.435 12.951 33.550 76.008 103 106 199 214 +5.894767e+06 +2.677282e+05 +2.307575e+08 0.00000 1 56 4 1 5 95.898 241.033 0.214 3.159 121.386 8.652 7382.414 5192.076 3.427 12.968 33.470 76.109 94 98 232 249 +9.005041e+06 +2.650292e+05 +4.088221e+08 0.00000 1 60 5 1 7 111.512 243.696 0.197 2.320 118.879 8.626 7229.933 5176.447 3.324 12.201 32.464 71.603 110 114 235 253 +1.708369e+07 +2.767802e+05 +6.965076e+08 0.00000 1 320 7 1 8 86.899 252.765 0.311 5.620 122.831 8.537 7470.298 5123.224 3.404 13.829 33.237 81.159 85 89 244 260 +6.096286e+06 +2.651766e+05 +2.918461e+08 0.00000 1 165 8 3 9 92.066 262.147 0.214 4.711 122.001 8.445 7419.843 5068.161 3.316 14.291 32.379 83.869 90 94 252 272 +8.159480e+06 +2.647634e+05 +4.165217e+08 0.00000 1 230 8 3 10 115.776 273.454 0.498 5.620 118.194 8.334 7188.292 5001.801 3.464 13.078 33.832 76.750 115 117 267 280 +4.743564e+06 +2.676539e+05 +1.431738e+08 0.00000 1 309 9 1 11 128.420 274.943 0.377 3.995 116.164 8.320 7064.818 4993.067 3.440 13.722 33.596 80.531 127 130 265 284 +8.557824e+06 +2.726574e+05 +3.831788e+08 0.00000 1 103 10 1 13 178.645 283.760 0.350 4.050 108.099 8.234 6574.342 4941.319 3.657 12.944 35.709 75.967 176 181 275 292 +9.361738e+06 +2.698184e+05 +4.843465e+08 0.00000 1 172 12 1 14 112.977 296.881 0.189 3.563 118.644 8.105 7215.635 4864.316 3.198 12.859 31.228 75.468 111 115 288 305 +8.410763e+06 +2.646530e+05 +3.597376e+08 0.00000 1 326 13 1 16 69.807 316.372 0.208 4.717 125.575 7.915 7637.209 4749.927 3.295 12.872 32.175 75.543 68 72 308 325 +9.728847e+06 +2.668446e+05 +4.243077e+08 0.00000 1 202 15 1 18 86.528 317.895 0.473 4.065 122.891 7.900 7473.922 4740.987 3.505 12.759 34.228 74.881 85 88 310 326 +7.691886e+06 +2.745460e+05 +3.075427e+08 0.00000 1 90 17 1 19 99.277 331.998 0.307 3.937 120.843 7.762 7349.422 4658.225 3.418 13.656 33.381 80.144 97 101 323 340 +8.145733e+06 +2.680477e+05 +3.778211e+08 0.00000 1 160 18 1 20 111.984 347.870 0.576 5.620 118.803 7.607 7225.324 4565.074 3.908 14.354 38.166 84.239 109 113 338 354 +4.102359e+06 +2.644774e+05 +2.526814e+08 0.00000 1 94 16 3 21 107.823 351.163 0.700 5.620 119.471 7.575 7265.960 4545.746 4.082 12.168 39.867 71.414 106 111 346 357 +4.316190e+06 +2.655838e+05 +2.087915e+08 0.00000 1 122 16 3 22 90.163 351.656 0.234 5.620 122.307 7.570 7438.420 4542.855 3.197 13.097 31.216 76.861 89 92 343 360 +7.780346e+06 +2.663231e+05 +3.052817e+08 0.00000 1 125 19 1 23 130.735 381.783 0.248 3.264 115.792 7.275 7042.215 4366.045 3.539 12.717 34.563 74.635 128 133 373 390 +1.062015e+07 +2.677160e+05 +5.204570e+08 0.00000 1 314 20 1 28 92.406 312.214 0.307 4.711 121.947 7.955 7416.523 4774.328 3.435 13.097 33.545 76.863 89 94 303 321 +5.389993e+06 +3.545730e+05 +0.000000e+00 0.00000 1 129 24 2 29 92.957 300.673 0.307 4.711 121.858 8.068 7411.135 4842.060 3.435 13.097 33.545 76.863 90 95 291 309 +7.657381e+06 +3.545730e+05 +0.000000e+00 0.00000 1 312 24 2 30 108.775 327.603 0.307 4.711 119.318 7.805 7256.669 4684.018 3.435 13.097 33.545 76.863 106 111 318 336 +9.180215e+06 +3.545730e+05 +0.000000e+00 0.00000 1 134 25 4 31 111.717 332.518 0.307 4.711 118.846 7.757 7227.932 4655.169 3.435 13.097 33.545 76.863 109 114 323 341 +6.510742e+06 +3.545730e+05 +0.000000e+00 0.00000 1 62 25 4 32 107.855 316.061 0.307 4.711 119.466 7.918 7265.650 4751.750 3.435 13.097 33.545 76.863 105 110 307 325 +1.128891e+07 +3.545730e+05 +0.000000e+00 0.00000 1 280 25 4 33 105.832 313.069 0.307 4.711 119.791 7.947 7285.407 4769.311 3.435 13.097 33.545 76.863 103 108 304 322 +1.213870e+07 +3.545730e+05 +0.000000e+00 0.00000 1 102 25 4 35 105.096 277.591 0.307 4.711 119.909 8.294 7292.592 4977.524 3.435 13.097 33.545 76.863 102 107 268 286 +1.303985e+07 +3.545730e+05 +0.000000e+00 0.00000 1 89 26 1 36 106.752 294.689 0.307 4.711 119.643 8.127 7276.426 4877.180 3.435 13.097 33.545 76.863 104 109 285 303 +9.265088e+06 +3.545730e+05 +0.000000e+00 0.00000 1 52 27 2 37 103.809 291.269 0.307 4.711 120.116 8.160 7305.165 4897.249 3.435 13.097 33.545 76.863 101 106 282 300 +1.076827e+07 +3.545730e+05 +0.000000e+00 0.00000 1 51 27 2 38 117.569 158.995 1.027 1.264 117.920 9.454 7171.610 5673.535 4.842 8.336 47.283 48.921 115 120 153 165 +1.846127e+07 +5.217997e+05 +7.733359e+08 0.00000 1 207 1 1 39 88.821 197.179 0.869 2.290 122.536 9.080 7452.352 5449.446 4.892 9.334 47.775 54.779 86 92 190 203 +1.461746e+07 +5.152382e+05 +7.412155e+08 0.00000 1 227 2 1 40 117.112 267.258 0.396 1.069 117.993 8.395 7176.074 5038.164 4.683 8.097 45.731 47.516 114 120 261 273 +2.682123e+07 +5.153310e+05 +1.156284e+09 0.00000 1 343 4 1 41 129.515 279.805 2.242 4.538 116.002 8.272 7054.949 4964.529 5.055 10.580 49.362 62.091 127 132 274 285 +1.003683e+07 +5.231702e+05 +4.614882e+08 0.00000 1 217 5 1 42 103.945 295.784 0.421 1.116 120.107 8.116 7304.651 4870.755 4.833 8.366 47.194 49.099 101 107 290 302 +2.549201e+07 +5.144742e+05 +1.167020e+09 0.00000 1 193 6 1 43 85.129 352.733 0.830 2.721 123.129 7.559 7488.401 4536.532 4.674 8.933 45.645 52.428 83 88 347 359 +1.302513e+07 +5.152364e+05 +5.632589e+08 0.00000 1 333 7 1 44 96.320 258.334 0.830 1.264 121.332 8.482 7379.114 5090.541 4.842 8.933 47.285 52.426 92 99 251 264 +1.629319e+07 +6.882410e+05 +0.000000e+00 0.00000 1 231 8 3 45 94.449 245.863 0.830 1.264 121.632 8.604 7397.384 5163.726 4.842 8.933 47.285 52.426 90 97 239 252 +3.203593e+07 +6.882410e+05 +0.000000e+00 0.00000 1 140 8 3 46 92.315 246.448 0.830 1.264 121.975 8.599 7418.224 5160.294 4.842 8.933 47.285 52.426 88 95 239 252 +2.112602e+07 +6.882410e+05 +0.000000e+00 0.00000 1 149 8 3 ; 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 . . 1H 1 NH . 'not observed' 12019.2307692308 Hz . . . . . . 53026 1 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53026 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 . . 53026 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 53026 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'Peak table for YY-B1AR-carvedilol - 900 MHz' _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _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 2 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_2 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _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 'Peak table compiled from spectra acquired with 15N-tyrosine- and 15N-valine-labeled YY-B1AR-carvedilol.' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d NULLVALUE -666 NULLSTRING * 1 80.484 226.915 2.701 5.620 121.217 9.529 11058.048 8578.181 5.270 13.977 51.462 82.030 78 82 221 233 +5.849369e+06 +3.379734e+05 +2.796913e+08 0.00000 1 95 1 1 2 66.866 275.915 0.516 2.663 122.675 9.210 11191.045 8290.608 4.587 12.591 44.799 73.895 64 70 267 284 +1.309962e+07 +3.329046e+05 +8.123466e+08 0.00000 1 298 2 1 3 108.316 308.073 0.724 2.655 118.238 9.000 10786.251 8101.884 4.806 12.878 46.933 75.576 105 111 299 317 +1.378629e+07 +3.351996e+05 +9.084494e+08 0.00000 1 226 3 1 4 94.774 313.649 0.812 5.620 119.688 8.964 10918.500 8069.157 4.718 13.587 46.076 79.739 92 97 305 323 +1.016609e+07 +3.342279e+05 +6.466666e+08 0.00000 1 56 4 1 5 81.540 365.350 0.965 3.940 121.104 8.627 11047.742 7765.736 4.944 12.657 48.282 74.282 79 85 356 374 +1.392738e+07 +3.386166e+05 +9.144055e+08 0.00000 1 60 5 1 6 105.124 368.246 0.263 1.558 118.580 8.608 10817.426 7748.739 4.594 11.975 44.862 70.280 102 108 360 376 +2.551961e+07 +3.330890e+05 +1.490660e+09 0.00000 1 320 6 1 7 67.775 381.440 1.054 5.620 122.578 8.522 11182.168 7671.311 5.144 13.501 50.238 79.233 65 71 373 390 +9.310345e+06 +3.342245e+05 +6.547187e+08 0.00000 1 165 7 1 8 76.073 396.825 0.573 4.427 121.689 8.422 11101.126 7581.018 4.696 14.428 45.858 84.672 73 79 388 407 +1.157599e+07 +3.325207e+05 +8.415700e+08 0.00000 1 230 8 1 9 111.310 413.374 1.744 5.620 117.917 8.314 10757.022 7483.895 4.638 15.221 45.291 89.326 110 113 408 420 +5.298872e+06 +3.363124e+05 +2.158502e+08 0.00000 1 309 9 1 10 130.182 416.134 0.596 2.943 115.897 8.296 10572.722 7467.697 4.668 12.596 45.587 73.925 127 133 408 425 +1.258066e+07 +3.333863e+05 +7.892385e+08 0.00000 1 103 10 1 12 205.543 428.667 1.003 3.730 107.830 8.214 9836.775 7394.143 5.008 12.393 48.906 72.734 202 209 420 438 +1.367144e+07 +3.383863e+05 +9.604966e+08 0.00000 1 172 12 1 13 107.284 447.602 0.576 4.157 118.348 8.091 10796.329 7283.017 4.562 13.022 44.548 76.424 104 110 439 457 +1.483394e+07 +3.355030e+05 +9.482666e+08 0.00000 1 326 13 1 14 77.391 450.774 0.886 3.660 121.548 8.070 11088.258 7264.403 4.614 12.526 45.055 73.515 75 80 443 460 +1.179286e+07 +3.373640e+05 +6.989277e+08 0.00000 1 312 14 2 15 75.983 470.893 0.601 3.894 121.699 7.939 11102.004 7146.333 4.351 12.625 42.488 74.092 74 78 462 478 +9.187395e+06 +3.323676e+05 +4.826701e+08 0.00000 1 129 14 2 17 42.340 477.050 0.878 3.042 125.301 7.899 11430.553 7110.194 4.687 12.529 45.772 73.532 40 45 469 485 +1.125419e+07 +3.358448e+05 +6.480211e+08 0.00000 1 202 16 1 18 67.583 478.720 0.984 4.093 122.598 7.888 11184.036 7100.395 4.681 12.422 45.716 72.903 65 70 471 487 +1.141074e+07 +3.379509e+05 +6.471541e+08 0.00000 1 90 17 1 20 86.636 501.064 0.832 3.070 120.559 7.742 10997.972 6969.264 4.753 13.308 46.416 78.104 84 89 492 510 +1.272550e+07 +3.362298e+05 +8.087176e+08 0.00000 1 160 18 1 21 105.955 523.788 0.906 5.198 118.491 7.594 10809.310 6835.901 4.986 12.693 48.688 74.495 102 108 516 531 +8.090138e+06 +3.324949e+05 +5.279072e+08 0.00000 1 94 19 2 22 73.046 529.446 0.464 4.877 122.014 7.557 11130.688 6802.693 4.562 12.928 44.551 75.874 70 76 520 538 +1.328318e+07 +3.331577e+05 +8.487805e+08 0.00000 1 125 20 1 23 99.444 529.736 2.015 5.620 119.188 7.555 10872.897 6800.993 5.110 13.257 49.902 77.799 97 103 523 537 +6.931780e+06 +3.376157e+05 +4.700544e+08 0.00000 1 122 19 2 24 133.963 575.029 0.420 2.031 115.492 7.260 10535.795 6535.179 4.748 12.296 46.367 72.160 131 137 566 584 +1.574225e+07 +3.323518e+05 +1.011557e+09 0.00000 1 314 21 1 25 105.050 498.109 0.812 3.894 118.588 7.761 10818.151 6986.603 4.696 12.693 45.859 74.492 101 108 489 507 +1.209704e+07 +4.455800e+05 +0.000000e+00 0.00000 1 62 22 4 26 100.702 492.680 0.812 3.894 119.053 7.797 10860.615 7018.467 4.696 12.693 45.859 74.492 97 104 483 501 +1.340939e+07 +4.455800e+05 +0.000000e+00 0.00000 1 134 22 4 27 99.149 475.788 0.812 3.894 119.219 7.907 10875.781 7117.603 4.696 12.693 45.859 74.492 95 102 466 484 +1.965746e+07 +4.455800e+05 +0.000000e+00 0.00000 1 280 22 4 28 95.421 474.581 0.812 3.894 119.618 7.915 10912.180 7124.684 4.696 12.693 45.859 74.492 91 98 465 483 +1.205886e+07 +4.455800e+05 +0.000000e+00 0.00000 1 102 22 4 29 97.906 442.004 0.812 3.894 119.352 8.127 10887.914 7315.874 4.696 12.693 45.859 74.492 94 101 433 451 +1.422560e+07 +4.455800e+05 +0.000000e+00 0.00000 1 52 23 3 30 92.937 437.177 0.812 3.894 119.884 8.159 10936.444 7344.199 4.696 12.693 45.859 74.492 89 96 428 446 +1.240344e+07 +4.455800e+05 +0.000000e+00 0.00000 1 51 23 3 31 96.043 422.095 0.812 3.894 119.552 8.257 10906.113 7432.712 4.696 12.693 45.859 74.492 92 99 413 431 +1.845041e+07 +4.455800e+05 +0.000000e+00 0.00000 1 89 23 3 32 114.503 241.977 3.327 5.620 117.589 9.431 10727.055 8489.781 5.228 12.724 51.054 74.674 112 117 234 250 +2.699684e+06 +1.918361e+05 +1.646410e+08 0.00000 1 207 6 1 33 69.408 297.378 4.654 5.620 122.416 9.070 11167.434 8164.647 5.694 15.982 55.605 93.797 67 72 290 306 +1.996888e+06 +1.905271e+05 +1.440798e+08 0.00000 1 227 7 1 34 112.378 397.868 2.108 5.620 117.816 8.415 10747.809 7574.898 4.944 12.952 48.279 76.012 109 115 389 407 +3.155871e+06 +1.906707e+05 +2.187094e+08 0.00000 1 343 9 1 35 132.190 426.685 3.115 5.620 115.696 8.227 10554.336 7405.773 4.871 18.606 47.573 109.196 131 134 420 435 +1.506130e+06 +1.890280e+05 +7.411470e+07 0.00000 1 217 10 1 36 93.954 447.348 1.193 5.620 119.789 8.092 10927.732 7284.508 5.088 13.676 49.692 80.261 91 97 438 456 +3.638272e+06 +1.886658e+05 +2.636546e+08 0.00000 1 193 11 1 37 65.093 532.823 1.534 5.620 122.878 7.535 11209.571 6782.878 4.439 13.866 43.347 81.373 63 67 526 541 +2.230040e+06 +1.886164e+05 +1.147458e+08 0.00000 1 333 13 1 ; 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 . . 1H 1 NH . 'not observed' 12019.2307692308 Hz . . . . . . 53026 2 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53026 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 . . 53026 2 stop_ save_