######################### # 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 53027 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'Peak table for YY-B1AR-cyanopindolol active conformation' _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 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-cyanopindolol.' _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 * 12 62.841 520.502 0.708 5.620 123.122 7.615 11231.795 6855.188 4.860 13.251 47.459 77.769 60 66 512 530 +1.946490e+07 +5.833779e+05 +1.347372e+09 0.00000 1 333a 12 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 . . . . . . 53027 1 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53027 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 . . 53027 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 53027 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'Peak table for YY-B1AR-cyanopindolol preactive conformation' _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 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-cyanopindolol.' _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 * 13 61.365 575.675 2.567 5.620 123.280 7.256 11246.211 6531.391 4.887 16.058 47.722 94.241 59 64 565 584 +7.640693e+06 +5.873678e+05 +5.389558e+08 0.00000 1 333p 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 . . . . . . 53027 2 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53027 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 . . 53027 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 53027 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name 'Peak table for YY-B1AR-cyanopindolol inactive conformation' _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 2 _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-cyanopindolol.' _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 80.528 249.047 3.077 5.620 121.224 9.385 11058.626 8448.294 4.366 16.436 42.641 96.457 79 82 241 256 +2.853656e+06 +2.807940e+05 +1.366677e+08 0.00000 1 95 1 1 2 68.513 282.334 2.124 5.620 122.510 9.168 11175.957 8252.938 4.408 13.201 43.044 77.475 66 71 275 290 +4.320254e+06 +2.814878e+05 +2.376742e+08 0.00000 1 298 2 1 3 108.813 308.536 1.351 5.620 118.196 8.997 10782.402 8099.165 4.787 13.922 46.752 81.702 106 111 299 317 +4.876477e+06 +2.757004e+05 +3.278118e+08 0.00000 1 226 3 1 4 95.270 318.348 1.436 5.620 119.645 8.933 10914.663 8041.579 4.455 13.877 43.505 81.443 93 98 310 327 +4.557849e+06 +2.766382e+05 +2.803809e+08 0.00000 1 56 4 1 5 104.268 363.456 0.559 3.932 118.682 8.639 10826.789 7776.854 4.694 12.470 45.838 73.183 101 107 354 372 +1.299986e+07 +2.768211e+05 +8.355068e+08 0.00000 1 320 5 1 6 81.627 369.187 1.489 5.620 121.106 8.602 11047.895 7743.221 4.801 12.908 46.880 75.753 79 85 361 378 +6.084327e+06 +2.777305e+05 +3.963214e+08 0.00000 1 60 6 1 7 69.396 382.779 3.142 5.620 122.415 8.513 11167.336 7663.448 5.221 14.691 50.986 86.218 67 72 375 390 +3.544443e+06 +2.775844e+05 +2.309967e+08 0.00000 1 165 7 2 8 75.945 392.405 1.371 5.620 121.714 8.450 11103.385 7606.960 4.815 15.015 47.020 88.117 73 78 384 403 +4.150119e+06 +2.747101e+05 +3.000907e+08 0.00000 1 230 7 2 9 200.783 417.863 1.361 5.409 108.350 8.284 9884.259 7457.553 5.184 12.879 50.628 75.584 198 204 409 427 +5.937355e+06 +2.752913e+05 +4.193064e+08 0.00000 1 172 8 1 10 129.919 425.955 0.798 4.815 115.936 8.232 10576.292 7410.061 4.787 14.010 46.752 82.219 127 133 416 436 +7.170859e+06 +2.744119e+05 +5.206030e+08 0.00000 1 103 9 1 11 108.528 430.040 2.371 4.561 118.226 8.205 10785.188 7386.088 5.979 13.275 58.392 77.907 105 112 421 439 +6.944450e+06 +2.777398e+05 +6.181292e+08 0.00000 1 326 10 3 13 76.107 436.460 0.862 5.620 121.697 8.163 11101.797 7348.408 4.521 13.715 44.149 80.488 73 79 427 446 +6.106167e+06 +2.751943e+05 +4.160068e+08 0.00000 1 312 11 1 16 76.305 472.652 2.729 5.620 121.676 7.927 11099.862 7136.005 5.043 13.242 49.251 77.712 74 78 466 479 +3.271194e+06 +2.766869e+05 +1.623284e+08 0.00000 1 129 13 1 17 38.545 478.372 1.548 5.620 125.718 7.890 11468.620 7102.435 4.788 12.104 46.758 71.034 36 41 470 486 +6.672316e+06 +2.798412e+05 +3.835554e+08 0.00000 1 202 14 1 18 69.810 486.509 1.477 5.620 122.371 7.837 11163.297 7054.681 5.075 13.004 49.560 76.316 67 73 478 495 +5.047841e+06 +2.758134e+05 +3.444136e+08 0.00000 1 90 15 1 20 87.203 501.181 2.386 5.620 120.509 7.741 10993.438 6968.577 4.836 13.691 47.223 80.351 85 89 495 507 +2.882958e+06 +2.752999e+05 +1.362408e+08 0.00000 1 160 16 1 21 105.862 536.960 0.953 4.715 118.512 7.508 10811.229 6758.597 5.242 14.364 51.193 84.297 102 109 527 547 +7.689226e+06 +2.746360e+05 +6.519925e+08 0.00000 1 122 17 2 22 79.571 544.989 1.307 4.071 121.326 7.456 11067.976 6711.476 4.689 12.811 45.790 75.186 77 82 536 554 +7.248302e+06 +2.789766e+05 +4.452020e+08 0.00000 1 125 18 1 23 136.940 575.345 0.783 5.317 115.185 7.258 10507.727 6533.328 4.887 12.148 47.728 71.293 134 140 567 584 +7.508950e+06 +2.748178e+05 +4.791903e+08 0.00000 1 314 19 1 24 105.982 530.687 1.477 5.620 118.499 7.549 10810.056 6795.413 4.836 13.691 47.227 80.349 102 109 521 540 +5.322220e+06 +3.678010e+05 +0.000000e+00 0.00000 1 94 17 2 25 104.429 501.729 1.477 5.620 118.665 7.738 10825.222 6965.359 4.836 13.691 47.227 80.349 100 107 492 511 +4.891543e+06 +3.678010e+05 +0.000000e+00 0.00000 1 62 20 3 26 99.770 493.886 1.477 5.620 119.164 7.789 10870.719 7011.386 4.836 13.691 47.227 80.349 96 103 484 503 +5.381181e+06 +3.678010e+05 +0.000000e+00 0.00000 1 134 20 3 28 98.217 470.358 1.477 5.620 119.330 7.942 10885.885 7149.468 4.836 13.691 47.227 80.349 94 101 460 479 +1.252831e+07 +3.678010e+05 +0.000000e+00 0.00000 1 280 21 2 29 92.626 468.548 1.477 5.620 119.929 7.954 10940.481 7160.090 4.836 13.691 47.227 80.349 89 96 459 478 +8.097794e+06 +3.678010e+05 +0.000000e+00 0.00000 1 102 21 2 30 97.596 448.036 1.477 5.620 119.397 8.088 10891.951 7280.469 4.836 13.691 47.227 80.349 94 101 438 457 +5.569858e+06 +3.678010e+05 +0.000000e+00 0.00000 1 52 22 2 31 92.937 442.607 1.477 5.620 119.895 8.123 10937.448 7312.333 4.836 13.691 47.227 80.349 89 96 433 452 +5.891486e+06 +3.678010e+05 +0.000000e+00 0.00000 1 51 22 2 32 96.974 429.335 1.477 5.620 119.463 8.210 10898.018 7390.226 4.836 13.691 47.227 80.349 93 100 419 438 +4.611902e+06 +3.678010e+05 +0.000000e+00 0.00000 1 89 23 2 33 103.497 422.095 1.477 5.620 118.765 8.257 10834.320 7432.712 4.836 13.691 47.227 80.349 99 106 412 431 +4.497152e+06 +3.678010e+05 +0.000000e+00 0.00000 1 309 23 2 34 111.503 248.999 1.246 3.469 117.913 9.385 10756.581 8448.570 4.935 13.387 48.196 78.563 109 115 239 259 +1.978502e+07 +5.924902e+05 +1.405211e+09 0.00000 1 207 1 1 35 70.872 301.968 1.381 5.620 122.262 9.040 11153.374 8137.708 4.742 14.718 46.305 86.377 68 74 293 312 +9.065918e+06 +5.812771e+05 +6.627517e+08 0.00000 1 227 2 1 36 92.610 374.092 1.812 5.620 119.935 8.570 10941.086 7714.433 4.514 13.463 44.085 79.013 90 95 365 383 +9.620012e+06 +5.893445e+05 +5.978114e+08 0.00000 1 231 4 1 37 112.435 393.193 1.289 5.304 117.813 8.445 10747.478 7602.335 4.848 13.972 47.339 81.996 109 115 383 403 +1.679928e+07 +5.902272e+05 +1.238005e+09 0.00000 1 343 6 2 38 132.283 427.298 1.325 5.620 115.688 8.223 10553.654 7402.178 4.908 14.402 47.930 84.519 129 135 417 437 +1.296913e+07 +5.848061e+05 +9.804434e+08 0.00000 1 217 8 1 39 92.731 453.542 0.693 5.620 119.922 8.052 10939.908 7248.157 4.841 14.476 47.272 84.956 90 96 444 464 +2.360300e+07 +5.851888e+05 +1.784262e+09 0.00000 1 193 10 1 40 80.823 391.327 1.325 5.620 121.197 8.457 11056.188 7613.281 4.841 13.852 47.275 81.294 77 84 381 401 +2.021005e+07 +7.784410e+05 +0.000000e+00 0.00000 1 149 14 1 41 78.028 373.832 1.325 5.620 121.496 8.572 11083.487 7715.957 4.841 13.852 47.275 81.294 74 81 363 383 +3.473863e+07 +7.784410e+05 +0.000000e+00 0.00000 1 140 15 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 . . . . . . 53027 3 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53027 3 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 . . 53027 3 stop_ save_