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 34405
_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 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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 *
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93 546.541 1506.777 1.000 1.000 8.071 1.410 6459.445 1128.231 1.000 1.000 5.549 5.549 545 548 1505 1508 -2.066831e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 69 1
94 536.912 1495.140 1.000 1.000 8.138 1.490 6512.877 1192.799 1.000 1.000 5.549 5.549 535 538 1493 1496 -2.714446e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 70 1
95 534.711 1480.918 1.000 1.000 8.153 1.589 6525.090 1271.716 1.000 1.000 5.549 5.549 533 536 1479 1482 -2.925226e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 71 1
96 547.092 1473.591 1.000 1.000 8.067 1.640 6456.392 1312.370 1.000 1.000 5.549 5.549 545 548 1472 1475 -3.134374e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 72 1
97 553.178 1054.139 1.000 1.000 8.025 4.548 6422.622 3639.760 1.000 1.000 5.549 5.549 551 555 1052 1056 -1.157391e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 73 1
98 460.059 1105.571 1.000 1.000 8.671 4.191 6939.305 3354.381 1.000 1.000 5.549 5.549 458 462 1103 1107 -8.608117e+08 +1.411550e+08 +0.000000e+00 0.00000 1 None 74 1
99 489.405 1225.930 1.000 1.000 8.467 3.357 6776.476 2686.555 1.000 1.000 5.549 5.549 487 491 1223 1227 -1.494633e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 75 1
100 531.057 600.252 1.000 1.000 8.179 7.695 6545.363 6158.223 1.000 1.000 5.549 5.549 529 533 598 602 -2.793481e+09 +1.411550e+08 +0.000000e+00 0.00000 1 None 11 2
;
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 . . 11363.636 Hz . . . 4.754 . . 34405 1
2 . . H 1 H-aliphatic . . 11363.636 Hz . . . 4.750 . . 34405 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
3 $software_3 . . 34405 1
stop_
save_