######################### # 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 30318 _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.Experiment_ID 4 _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 1 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 h 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6.695 1 T 2.467e+05 0.00e+00 a 0 0 0 0 1409 2.092 6.732 1 T 8.886e+04 0.00e+00 a 0 0 0 0 1410 3.657 6.697 1 T 1.045e+05 0.00e+00 a 0 0 0 0 1411 6.908 3.947 1 T 1.732e+05 0.00e+00 a 0 0 0 0 1412 2.693 6.156 1 T 5.358e+05 0.00e+00 a 0 0 0 0 1413 2.661 6.155 1 T 5.824e+05 0.00e+00 a 0 0 0 0 1414 0.922 5.286 1 T 1.001e+06 0.00e+00 a 0 0 0 0 1415 3.808 1.398 1 T 5.142e+05 0.00e+00 a 0 0 0 0 1416 8.505 1.399 1 T 6.704e+04 0.00e+00 a 0 0 0 0 1417 1.455 3.310 1 T 3.494e+05 0.00e+00 a 0 0 0 0 1418 1.403 3.809 1 T 7.233e+05 0.00e+00 a 0 0 0 0 1419 1.398 3.185 1 T 1.265e+06 0.00e+00 a 0 0 0 0 1420 1.399 3.156 1 T 6.561e+05 0.00e+00 a 0 0 0 0 1421 1.455 3.156 1 T 7.219e+05 0.00e+00 a 0 0 0 0 1422 1.566 3.156 1 T 3.403e+05 0.00e+00 a 0 0 0 0 1423 3.805 3.310 1 T 1.238e+05 0.00e+00 a 0 0 0 0 1424 3.810 3.182 1 T 2.525e+05 0.00e+00 a 0 0 0 0 1425 3.810 3.157 1 T 1.067e+05 0.00e+00 a 0 0 0 0 1426 7.217 3.185 1 T 1.737e+05 0.00e+00 a 0 0 0 0 1427 7.219 3.155 1 T 2.680e+05 0.00e+00 a 0 0 0 0 1428 7.639 3.184 1 T 7.435e+05 0.00e+00 a 0 0 0 0 1429 7.424 3.156 1 T 1.749e+05 0.00e+00 a 0 0 0 0 1430 6.734 3.184 1 T 2.902e+05 0.00e+00 a 0 0 0 0 1431 6.733 3.156 1 T 2.612e+05 0.00e+00 a 0 0 0 0 1432 3.155 1.401 1 T 6.473e+05 0.00e+00 a 0 0 0 0 1433 3.156 1.454 1 T 1.471e+06 0.00e+00 a 0 0 0 0 1434 3.156 1.571 1 T 5.418e+05 0.00e+00 a 0 0 0 0 1435 1.400 7.636 1 T 1.636e+05 0.00e+00 a 0 0 0 0 1436 1.401 6.734 1 T 8.725e+05 0.00e+00 a 0 0 0 0 1437 4.280 8.596 1 T 2.746e+06 0.00e+00 a 0 0 0 0 1438 6.155 8.604 1 T 1.306e+05 0.00e+00 a 0 0 0 0 1439 3.821 2.333 1 T 3.146e+05 0.00e+00 a 0 0 0 0 1440 3.821 2.293 1 T 3.202e+05 0.00e+00 a 0 0 0 0 1441 8.673 1.602 1 T 9.311e+04 0.00e+00 a 0 0 0 0 1442 4.661 2.107 1 T 1.954e+05 0.00e+00 a 0 0 0 0 1443 4.474 1.599 1 T 1.252e+05 0.00e+00 a 0 0 0 0 1444 3.640 2.107 1 T 5.477e+05 0.00e+00 a 0 0 0 0 1445 3.637 2.349 1 T 6.973e+05 0.00e+00 a 0 0 0 0 1446 4.487 2.138 1 T 1.420e+05 0.00e+00 a 0 0 0 0 1447 6.154 0.932 1 T 1.634e+05 0.00e+00 a 0 0 0 0 1448 2.668 0.932 1 T 4.131e+05 0.00e+00 a 0 0 0 0 1449 8.605 0.932 1 T 3.932e+05 0.00e+00 a 0 0 0 0 1450 8.607 1.228 1 T 1.204e+05 0.00e+00 a 0 0 0 0 1451 8.734 1.227 1 T 1.689e+05 0.00e+00 a 0 0 0 0 1452 8.741 1.032 1 T 1.612e+05 0.00e+00 a 0 0 0 0 1453 8.741 0.920 1 T 1.616e+05 0.00e+00 a 0 0 0 0 1454 8.729 0.747 1 T 4.780e+05 0.00e+00 a 0 0 0 0 1455 8.734 0.577 1 T 1.370e+05 0.00e+00 a 0 0 0 0 1456 8.652 0.575 1 T 1.011e+05 0.00e+00 a 0 0 0 0 1457 7.798 1.039 1 T 6.500e+05 0.00e+00 a 0 0 0 0 1458 6.697 1.039 1 T 1.538e+05 0.00e+00 a 0 0 0 0 1459 6.841 1.040 1 T 1.261e+05 0.00e+00 a 0 0 0 0 1460 9.519 0.921 1 T 2.740e+05 0.00e+00 a 0 0 0 0 1461 9.454 1.039 1 T 7.609e+05 0.00e+00 a 0 0 0 0 1462 4.912 1.039 1 T 2.458e+05 0.00e+00 a 0 0 0 0 1463 4.047 1.039 1 T 4.356e+05 0.00e+00 a 0 0 0 0 1464 4.048 0.918 1 T 2.331e+05 0.00e+00 a 0 0 0 0 1465 4.053 0.744 1 T 3.155e+05 0.00e+00 a 0 0 0 0 1466 4.209 0.744 1 T 2.525e+05 0.00e+00 a 0 0 0 0 1467 2.311 0.919 1 T 4.875e+05 0.00e+00 a 0 0 0 0 1468 2.693 8.728 1 T 6.378e+05 0.00e+00 a 0 0 0 0 1469 4.910 6.875 1 T 3.676e+05 0.00e+00 a 0 0 0 0 1470 6.839 7.345 1 T 7.496e+05 0.00e+00 a 0 0 0 0 1471 4.970 7.345 1 T 2.669e+05 0.00e+00 a 0 0 0 0 1472 3.665 7.346 1 T 6.413e+04 0.00e+00 a 0 0 0 0 1473 3.459 7.346 1 T 5.363e+04 0.00e+00 a 0 0 0 0 1474 2.695 7.346 1 T 6.181e+05 0.00e+00 a 0 0 0 0 1475 2.587 7.346 1 T 5.190e+04 0.00e+00 a 0 0 0 0 1476 1.278 7.346 1 T 1.576e+05 0.00e+00 a 0 0 0 0 1478 0.140 7.345 1 T 3.787e+05 0.00e+00 a 0 0 0 0 1479 -0.579 7.346 1 T 1.745e+05 0.00e+00 a 0 0 0 0 1480 -0.320 7.345 1 T 4.466e+05 0.00e+00 a 0 0 0 0 1482 7.795 7.394 1 T 1.295e+06 0.00e+00 a 0 0 0 0 1483 7.794 7.345 1 T 5.613e+05 0.00e+00 a 0 0 0 0 ; 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 H . . 11.9705 ppm . . . 4.699 . . 30318 1 stop_ save_