Content for NMR-STAR saveframe, spectral_peak_list_1
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 53032
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name 'Peak table for TS-B1AR-carvedilol'
_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 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
;
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 *
2 94.930 144.606 1.258 3.681 121.551 9.595 7392.469 5757.982 5.123 8.076 50.027 47.396 93 97 140 148 +9.424068e+06 +4.986727e+05 +3.046795e+08 0.00000 1 95 2 1
3 86.874 174.969 0.493 1.071 122.845 9.298 7471.136 5579.787 4.784 8.630 46.715 50.649 84 90 169 181 +2.202141e+07 +4.968720e+05 +1.011647e+09 0.00000 1 298 3 1
4 104.034 205.272 0.846 2.613 120.089 9.001 7303.561 5401.948 5.275 9.354 51.514 54.896 101 108 199 211 +1.445168e+07 +4.970238e+05 +8.749188e+08 0.00000 1 56 4 2
5 109.876 212.626 0.513 1.790 119.151 8.929 7246.512 5358.790 4.838 8.690 47.250 51.001 107 113 207 219 +2.175678e+07 +4.987914e+05 +1.042506e+09 0.00000 1 226 4 2
6 88.755 226.558 0.672 2.140 122.543 8.793 7452.771 5277.023 4.861 8.644 47.467 50.730 86 92 221 233 +2.025130e+07 +5.012922e+05 +9.445075e+08 0.00000 1 230 5 1
7 96.930 244.557 0.392 1.813 121.230 8.617 7372.934 5171.393 4.539 8.647 44.327 50.747 94 100 239 251 +2.374675e+07 +4.990440e+05 +1.060668e+09 0.00000 1 60 6 1
8 111.656 245.002 0.299 0.355 118.866 8.613 7229.132 5168.781 4.748 7.516 46.368 44.108 109 115 240 250 +5.105407e+07 +5.016071e+05 +1.962935e+09 0.00000 1 320 7 1
9 86.564 251.090 1.196 1.868 122.895 8.553 7474.168 5133.055 5.084 9.691 49.652 56.875 84 89 244 258 +1.702919e+07 +5.034968e+05 +8.778166e+08 0.00000 1 165 8 1
11 178.582 285.367 0.896 2.015 108.119 8.218 6575.555 4931.889 5.204 9.482 50.825 55.646 175 182 278 292 +2.325392e+07 +5.039411e+05 +1.313659e+09 0.00000 1 172 10 1
13 84.838 298.854 0.617 1.484 123.172 8.086 7491.026 4852.734 4.877 8.987 47.624 52.744 82 88 293 305 +1.923202e+07 +4.974464e+05 +9.437797e+08 0.00000 1 90 12 4
14 113.713 298.890 0.594 0.935 118.535 8.086 7209.042 4852.523 4.714 7.936 46.036 46.573 111 117 293 305 +2.297766e+07 +5.001215e+05 +9.916367e+08 0.00000 1 326 11 2
16 69.656 316.873 0.710 1.338 125.610 7.910 7639.287 4746.990 4.760 9.082 46.487 53.302 67 73 311 323 +2.161013e+07 +5.015174e+05 +1.012991e+09 0.00000 1 202 13 1
18 99.436 334.669 0.741 1.653 120.828 7.736 7348.462 4642.546 4.688 8.860 45.783 51.997 96 102 329 341 +2.350101e+07 +5.063000e+05 +1.071644e+09 0.00000 1 160 15 1
20 91.860 355.106 0.501 1.004 122.044 7.536 7422.445 4522.606 4.745 8.064 46.336 47.324 89 95 349 361 +2.174011e+07 +4.972628e+05 +9.616531e+08 0.00000 1 125 16 1
21 108.897 354.879 0.909 3.188 119.309 7.538 7256.074 4523.939 5.079 11.069 49.604 64.964 106 112 347 361 +1.310783e+07 +4.965318e+05 +8.669999e+08 0.00000 1 122 14 9
22 129.755 383.211 0.448 0.848 115.959 7.261 7052.381 4357.663 4.899 8.130 47.842 47.711 127 133 377 389 +3.064706e+07 +4.992945e+05 +1.345561e+09 0.00000 1 314 17 1
31 106.465 294.759 0.741 1.813 119.699 8.126 7279.819 4876.769 4.875 8.630 47.607 50.647 102 109 288 301 +3.097712e+07 +6.649070e+05 +0.000000e+00 0.00000 1 52 24 3
32 104.322 284.237 0.741 1.813 120.043 8.229 7300.754 4938.519 4.875 8.630 47.607 50.647 100 107 277 290 +4.031971e+07 +6.649070e+05 +0.000000e+00 0.00000 1 89 24 3
33 102.373 287.897 0.741 1.813 120.356 8.193 7319.786 4917.041 4.875 8.630 47.607 50.647 98 105 281 294 +3.588884e+07 +6.649070e+05 +0.000000e+00 0.00000 1 51 24 3
34 109.194 319.691 0.741 1.813 119.261 7.882 7253.175 4730.448 4.875 8.630 47.607 50.647 105 112 313 326 +2.810203e+07 +6.649070e+05 +0.000000e+00 0.00000 1 280 14 9
35 105.491 317.633 0.741 1.813 119.855 7.902 7289.335 4742.530 4.875 8.630 47.607 50.647 101 108 311 324 +2.472606e+07 +6.649070e+05 +0.000000e+00 0.00000 1 102 14 9
36 110.948 329.298 0.741 1.813 118.979 7.788 7236.047 4674.068 4.875 8.630 47.607 50.647 107 114 322 335 +1.934565e+07 +6.649070e+05 +0.000000e+00 0.00000 1 62 14 9
37 110.168 341.878 0.741 1.813 119.104 7.665 7243.659 4600.236 4.875 8.630 47.607 50.647 106 113 335 348 +2.291839e+07 +6.649070e+05 +0.000000e+00 0.00000 1 94 14 9
38 115.921 273.363 0.741 1.813 118.181 8.335 7187.480 5002.337 4.875 8.630 47.607 50.647 112 119 266 279 +5.028290e+06 +6.649070e+05 +0.000000e+00 0.00000 1 309 25 1
39 128.345 275.773 0.741 1.813 116.186 8.312 7066.153 4988.191 4.875 8.630 47.607 50.647 124 131 269 282 +1.985272e+07 +6.649070e+05 +0.000000e+00 0.00000 1 103 26 1
41 108.156 339.244 0.741 1.813 119.428 7.691 7263.310 4615.695 4.875 8.630 47.607 50.647 104 111 332 345 +2.286629e+07 +6.649070e+05 +0.000000e+00 0.00000 1 134 14 9
43 91.073 311.526 0.741 1.813 122.171 7.962 7430.134 4778.367 4.875 8.630 47.607 50.647 87 94 305 318 +1.422562e+07 +6.649070e+05 +0.000000e+00 0.00000 1 129 12 4
44 92.626 299.475 0.741 1.813 121.921 8.080 7414.968 4849.095 4.875 8.630 47.607 50.647 89 96 292 305 +2.005121e+07 +6.649070e+05 +0.000000e+00 0.00000 1 312 27 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 . . . . . . 53032 1
2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53032 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 . . 53032 1
stop_
save_