######################### # 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 30625 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 5 _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 . 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U 0.950 0 e 0 0 0 383 2.745 6.661 1 U 4.420 0 e 0 0 0 384 2.614 6.660 1 U 14.090 0 e 0 0 0 385 3.730 6.659 1 U 135.600 0 e 0 0 0 386 3.624 6.659 1 U 10.200 0 e 0 0 0 387 2.343 6.659 1 U 218.920 0 e 0 0 0 388 1.810 6.659 1 U 14.870 0 e 0 0 0 389 1.075 6.659 1 U 78.000 0 e 0 0 0 390 0.504 6.659 1 U 3.780 0 e 0 0 0 391 4.339 6.658 1 U 14.680 0 e 0 0 0 392 4.288 6.658 1 U 14.450 0 e 0 0 0 393 4.132 6.658 1 U 19.210 0 e 0 0 0 394 3.837 6.658 1 U 50.550 0 e 0 0 0 395 2.963 6.658 1 U 6.630 0 e 0 0 0 396 2.458 6.658 1 U 7.180 0 e 0 0 0 397 1.598 6.658 1 U 5.510 0 e 0 0 0 398 0.822 6.658 1 U 1.950 0 e 0 0 0 399 0.766 6.658 1 U 38.820 0 e 0 0 0 400 3.967 6.657 1 U 5.940 0 e 0 0 0 401 0.691 6.657 1 U 16.690 0 e 0 0 0 402 5.043 6.656 1 U 17.620 0 e 0 0 0 403 4.696 6.656 1 U 30.590 0 e 0 0 0 404 5.241 6.655 1 U 42.010 0 e 0 0 0 405 4.625 6.654 1 U 2.510 0 e 0 0 0 406 4.398 6.654 1 U 2.480 0 e 0 0 0 407 1.908 6.653 1 U 17.820 0 e 0 0 0 408 4.828 6.652 1 U 2.980 0 e 0 0 0 409 2.774 6.652 1 U 6.250 0 e 0 0 0 410 1.691 6.652 1 U 6.060 0 e 0 0 0 411 2.973 6.638 1 U 16.000 0 e 0 0 0 412 1.815 6.638 1 U 5.490 0 e 0 0 0 413 4.694 6.637 1 U 2.240 0 e 0 0 0 414 3.905 6.637 1 U 47.200 0 e 0 0 0 415 3.836 6.637 1 U 12.800 0 e 0 0 0 416 3.730 6.637 1 U 48.860 0 e 0 0 0 417 2.340 6.637 1 U 38.080 0 e 0 0 0 418 1.929 6.637 1 U 6.820 0 e 0 0 0 419 0.824 6.637 1 U 11.480 0 e 0 0 0 420 0.764 6.637 1 U 75.660 0 e 0 0 0 421 0.690 6.637 1 U 7.900 0 e 0 0 0 422 0.506 6.637 1 U 22.880 0 e 0 0 0 423 1.074 6.636 1 U 14.100 0 e 0 0 0 424 2.683 6.594 1 U 5.470 0 e 0 0 0 425 4.336 6.593 1 U 9.290 0 e 0 0 0 426 2.777 6.593 1 U 7.110 0 e 0 0 0 427 1.074 6.590 1 U 11.940 0 e 0 0 0 428 2.352 5.243 1 U 45.820 0 e 0 0 0 429 1.812 5.242 1 U 24.530 0 e 0 0 0 430 3.730 5.241 1 U 48.000 0 e 0 0 0 431 2.643 5.045 1 U 16.190 0 e 0 0 0 432 2.745 5.043 1 U 26.050 0 e 0 0 0 433 2.621 5.042 1 U 1.670 0 e 0 0 0 434 2.332 5.042 1 U 0.600 0 e 0 0 0 435 2.625 4.468 1 U 2.420 0 e 0 0 0 436 2.879 4.438 1 U 1.840 0 e 0 0 0 437 2.848 4.426 1 U 16.400 0 e 0 0 0 438 3.716 4.413 1 U 71.010 0 e 0 0 0 439 3.715 4.385 1 U 39.940 0 e 0 0 0 440 3.145 4.384 1 U 28.520 0 e 0 0 0 441 2.788 4.366 1 U 22.760 0 e 0 0 0 442 3.144 4.365 1 U 3.040 0 e 0 0 0 443 2.939 4.364 1 U 18.170 0 e 0 0 0 444 3.641 4.346 1 U 17.410 0 e 0 0 0 445 3.729 4.345 1 U 27.370 0 e 0 0 0 446 1.814 4.342 1 U 21.580 0 e 0 0 0 447 1.608 4.341 1 U 6.270 0 e 0 0 0 448 1.489 4.339 1 U 3.200 0 e 0 0 0 449 1.906 4.338 1 U 22.930 0 e 0 0 0 450 2.687 4.334 1 U 17.520 0 e 0 0 0 451 2.777 4.332 1 U 25.410 0 e 0 0 0 452 2.927 4.326 1 U 1.930 0 e 0 0 0 453 1.606 4.326 1 U 19.990 0 e 0 0 0 454 1.374 4.325 1 U 8.890 0 e 0 0 0 455 3.540 4.323 1 U 30.850 0 e 0 0 0 456 3.357 4.322 1 U 17.430 0 e 0 0 0 457 3.677 4.286 1 U 29.030 0 e 0 0 0 458 3.598 4.286 1 U 35.420 0 e 0 0 0 459 1.711 4.175 1 U 75.060 0 e 0 0 0 460 2.308 4.170 1 U 1.850 0 e 0 0 0 461 2.234 4.170 1 U 7.090 0 e 0 0 0 462 1.833 4.169 1 U 4.560 0 e 0 0 0 463 1.776 4.168 1 U 8.950 0 e 0 0 0 464 1.645 4.168 1 U 29.250 0 e 0 0 0 465 1.613 4.168 1 U 4.710 0 e 0 0 0 466 4.069 4.167 1 U 6.970 0 e 0 0 0 467 2.041 4.166 1 U 55.210 0 e 0 0 0 468 0.825 4.134 1 U 20.310 0 e 0 0 0 469 0.764 4.132 1 U 68.220 0 e 0 0 0 470 1.243 4.131 1 U 13.800 0 e 0 0 0 471 0.693 4.131 1 U 28.320 0 e 0 0 0 472 0.506 4.131 1 U 8.640 0 e 0 0 0 473 1.075 4.130 1 U 12.390 0 e 0 0 0 474 0.760 4.101 1 U 4.150 0 e 0 0 0 475 3.820 4.042 1 U 171.490 0 e 0 0 0 476 3.818 4.022 1 U 242.370 0 e 0 0 0 477 1.611 3.983 1 U 88.310 0 e 0 0 0 478 1.738 3.982 1 U 44.530 0 e 0 0 0 479 1.907 3.981 1 U 25.250 0 e 0 0 0 480 1.697 3.981 1 U 32.520 0 e 0 0 0 481 0.687 3.978 1 U 10.700 0 e 0 0 0 482 1.123 3.974 1 U 10.960 0 e 0 0 0 483 0.629 3.974 1 U 65.160 0 e 0 0 0 484 2.335 3.973 1 U 2.820 0 e 0 0 0 485 0.899 3.973 1 U 10.660 0 e 0 0 0 486 3.623 3.971 1 U 290.650 0 e 0 0 0 487 0.766 3.965 1 U 2.890 0 e 0 0 0 488 3.621 3.948 1 U 178.970 0 e 0 0 0 489 2.339 3.945 1 U 0.560 0 e 0 0 0 490 1.925 3.913 1 U 31.440 0 e 0 0 0 491 1.601 3.912 1 U 32.180 0 e 0 0 0 492 1.446 3.909 1 U 37.340 0 e 0 0 0 493 1.935 3.905 1 U 44.020 0 e 0 0 0 494 1.813 3.904 1 U 27.270 0 e 0 0 0 495 1.658 3.899 1 U 32.840 0 e 0 0 0 496 1.448 3.896 1 U 24.310 0 e 0 0 0 497 1.259 3.895 1 U 9.880 0 e 0 0 0 498 0.964 3.895 1 U 15.580 0 e 0 0 0 499 0.695 3.895 1 U 64.590 0 e 0 0 0 500 1.657 3.870 1 U 1.910 0 e 0 0 0 501 0.699 3.866 1 U 18.630 0 e 0 0 0 502 0.691 3.830 1 U 0.410 0 e 0 0 0 503 2.973 3.828 1 U 2.780 0 e 0 0 0 504 0.505 3.828 1 U 9.600 0 e 0 0 0 505 0.505 3.740 1 U 17.370 0 e 0 0 0 506 2.970 3.737 1 U 5.970 0 e 0 0 0 507 0.766 3.731 1 U 9.400 0 e 0 0 0 508 1.927 3.730 1 U 6.150 0 e 0 0 0 509 1.906 3.730 1 U 5.800 0 e 0 0 0 510 1.814 3.730 1 U 13.640 0 e 0 0 0 511 1.600 3.730 1 U 16.310 0 e 0 0 0 512 0.691 3.730 1 U 11.070 0 e 0 0 0 513 2.341 3.729 1 U 17.450 0 e 0 0 0 514 1.446 3.729 1 U 0.420 0 e 0 0 0 515 1.079 3.728 1 U 124.880 0 e 0 0 0 516 2.969 3.726 1 U 1.710 0 e 0 0 0 517 2.756 3.726 1 U 4.450 0 e 0 0 0 518 2.635 3.725 1 U 2.780 0 e 0 0 0 519 0.505 3.718 1 U 8.500 0 e 0 0 0 520 2.333 3.717 1 U 8.450 0 e 0 0 0 521 3.380 3.680 1 U 2.410 0 e 0 0 0 522 0.507 3.672 1 U 1.380 0 e 0 0 0 523 1.243 3.671 1 U 1.690 0 e 0 0 0 524 0.691 3.671 1 U 0.610 0 e 0 0 0 525 0.694 3.642 1 U 0.580 0 e 0 0 0 526 2.336 3.632 1 U 0.420 0 e 0 0 0 527 3.248 3.624 1 U 0.380 0 e 0 0 0 528 2.340 3.606 1 U 4.450 0 e 0 0 0 529 1.243 3.601 1 U 0.640 0 e 0 0 0 530 0.691 3.601 1 U 0.390 0 e 0 0 0 531 0.503 3.601 1 U 0.440 0 e 0 0 0 532 1.823 3.550 1 U 15.160 0 e 0 0 0 533 2.041 3.538 1 U 6.380 0 e 0 0 0 534 1.641 3.537 1 U 10.890 0 e 0 0 0 535 1.609 3.537 1 U 19.520 0 e 0 0 0 536 1.488 3.537 1 U 5.870 0 e 0 0 0 537 1.376 3.537 1 U 1.440 0 e 0 0 0 538 1.820 3.536 1 U 29.670 0 e 0 0 0 539 1.775 3.536 1 U 54.490 0 e 0 0 0 540 3.359 3.533 1 U 299.500 0 e 0 0 0 541 1.827 3.525 1 U 20.700 0 e 0 0 0 542 3.277 3.385 1 U 65.330 0 e 0 0 0 543 1.603 3.376 1 U 11.120 0 e 0 0 0 544 1.773 3.374 1 U 10.740 0 e 0 0 0 545 1.824 3.369 1 U 35.740 0 e 0 0 0 546 1.611 3.360 1 U 32.500 0 e 0 0 0 547 2.041 3.359 1 U 0.600 0 e 0 0 0 548 1.776 3.359 1 U 25.710 0 e 0 0 0 549 1.488 3.359 1 U 7.670 0 e 0 0 0 550 1.825 3.358 1 U 40.790 0 e 0 0 0 551 1.641 3.358 1 U 21.170 0 e 0 0 0 552 1.376 3.358 1 U 5.170 0 e 0 0 0 553 0.630 3.146 1 U 12.510 0 e 0 0 0 554 1.901 3.145 1 U 1.450 0 e 0 0 0 555 1.611 3.145 1 U 9.510 0 e 0 0 0 556 0.683 3.145 1 U 2.700 0 e 0 0 0 557 1.603 2.977 1 U 2.970 0 e 0 0 0 558 1.935 2.970 1 U 26.320 0 e 0 0 0 559 1.816 2.970 1 U 12.030 0 e 0 0 0 560 1.928 2.949 1 U 10.690 0 e 0 0 0 561 1.824 2.948 1 U 2.150 0 e 0 0 0 562 1.380 2.926 1 U 56.050 0 e 0 0 0 563 1.605 2.919 1 U 37.420 0 e 0 0 0 564 1.487 2.919 1 U 27.790 0 e 0 0 0 565 1.371 2.910 1 U 67.180 0 e 0 0 0 566 1.608 2.872 1 U 2.650 0 e 0 0 0 567 0.629 2.865 1 U 1.300 0 e 0 0 0 568 0.764 2.792 1 U 0.610 0 e 0 0 0 569 1.074 2.784 1 U 2.310 0 e 0 0 0 570 1.075 2.772 1 U 2.540 0 e 0 0 0 571 0.690 2.772 1 U 2.320 0 e 0 0 0 572 0.686 2.756 1 U 6.390 0 e 0 0 0 573 2.326 2.734 1 U 1.460 0 e 0 0 0 574 1.906 2.699 1 U 1.450 0 e 0 0 0 575 1.602 2.698 1 U 2.210 0 e 0 0 0 576 0.693 2.696 1 U 4.490 0 e 0 0 0 577 1.074 2.690 1 U 2.380 0 e 0 0 0 578 0.684 2.650 1 U 2.690 0 e 0 0 0 579 1.906 2.626 1 U 0.830 0 e 0 0 0 580 0.691 2.626 1 U 1.000 0 e 0 0 0 581 2.400 2.559 1 U 62.440 0 e 0 0 0 582 0.695 2.389 1 U 0.640 0 e 0 0 0 583 1.814 2.387 1 U 21.860 0 e 0 0 0 584 1.904 2.386 1 U 46.530 0 e 0 0 0 585 1.818 2.346 1 U 20.710 0 e 0 0 0 586 1.907 2.341 1 U 61.570 0 e 0 0 0 587 0.696 2.335 1 U 6.750 0 e 0 0 0 588 1.831 2.334 1 U 27.830 0 e 0 0 0 589 1.716 2.330 1 U 16.770 0 e 0 0 0 590 1.907 2.321 1 U 65.240 0 e 0 0 0 591 1.801 2.307 1 U 13.130 0 e 0 0 0 592 1.842 2.303 1 U 18.350 0 e 0 0 0 593 1.716 2.284 1 U 21.290 0 e 0 0 0 594 1.721 2.245 1 U 32.170 0 e 0 0 0 595 1.716 2.237 1 U 21.580 0 e 0 0 0 596 1.853 2.234 1 U 10.920 0 e 0 0 0 597 1.711 2.205 1 U 14.750 0 e 0 0 0 598 1.856 2.156 1 U 19.170 0 e 0 0 0 599 1.864 2.138 1 U 33.080 0 e 0 0 0 600 1.658 2.099 1 U 5.360 0 e 0 0 0 601 1.777 2.045 1 U 23.370 0 e 0 0 0 602 1.645 2.043 1 U 268.870 0 e 0 0 0 603 1.835 2.036 1 U 23.850 0 e 0 0 0 604 1.599 1.954 1 U 51.080 0 e 0 0 0 605 1.447 1.954 1 U 11.520 0 e 0 0 0 606 1.452 1.940 1 U 24.310 0 e 0 0 0 607 1.605 1.928 1 U 58.840 0 e 0 0 0 608 1.447 1.918 1 U 10.260 0 e 0 0 0 609 0.787 1.913 1 U 36.600 0 e 0 0 0 610 0.701 1.912 1 U 2.900 0 e 0 0 0 611 1.603 1.904 1 U 40.250 0 e 0 0 0 612 0.794 1.901 1 U 35.930 0 e 0 0 0 613 0.700 1.898 1 U 13.900 0 e 0 0 0 614 0.631 1.891 1 U 5.200 0 e 0 0 0 615 0.687 1.890 1 U 17.800 0 e 0 0 0 616 0.766 1.861 1 U 6.660 0 e 0 0 0 617 0.676 1.857 1 U 13.690 0 e 0 0 0 618 0.648 1.854 1 U 17.100 0 e 0 0 0 619 1.447 1.825 1 U 82.340 0 e 0 0 0 620 0.696 1.825 1 U 7.010 0 e 0 0 0 621 0.695 1.718 1 U 15.490 0 e 0 0 0 622 0.639 1.710 1 U 18.250 0 e 0 0 0 623 0.968 1.678 1 U 8.980 0 e 0 0 0 624 1.260 1.658 1 U 47.060 0 e 0 0 0 625 0.696 1.652 1 U 167.200 0 e 0 0 0 626 0.964 1.641 1 U 8.200 0 e 0 0 0 627 1.125 1.635 1 U 9.870 0 e 0 0 0 628 1.261 1.615 1 U 10.350 0 e 0 0 0 629 0.630 1.613 1 U 153.400 0 e 0 0 0 630 1.144 1.612 1 U 9.460 0 e 0 0 0 631 0.900 1.612 1 U 23.800 0 e 0 0 0 632 1.099 1.610 1 U 15.290 0 e 0 0 0 633 1.121 1.595 1 U 15.970 0 e 0 0 0 634 0.795 1.527 1 U 9.540 0 e 0 0 0 635 0.735 1.503 1 U 2.180 0 e 0 0 0 636 1.058 1.372 1 U 13.990 0 e 0 0 0 637 0.695 1.372 1 U 15.820 0 e 0 0 0 638 1.052 1.352 1 U 11.530 0 e 0 0 0 639 0.682 1.286 1 U 61.660 0 e 0 0 0 640 0.510 1.267 1 U 11.990 0 e 0 0 0 641 0.965 1.265 1 U 243.990 0 e 0 0 0 642 0.702 1.254 1 U 138.100 0 e 0 0 0 643 0.765 1.244 1 U 59.360 0 e 0 0 0 644 0.821 1.240 1 U 49.810 0 e 0 0 0 645 0.690 1.231 1 U 202.880 0 e 0 0 0 646 0.505 1.227 1 U 67.380 0 e 0 0 0 647 0.653 1.141 1 U 33.690 0 e 0 0 0 648 0.902 1.116 1 U 245.880 0 e 0 0 0 649 0.647 1.099 1 U 35.180 0 e 0 0 0 650 0.660 1.080 1 U 16.360 0 e 0 0 0 651 0.743 1.076 1 U 18.890 0 e 0 0 0 652 0.817 1.075 1 U 14.320 0 e 0 0 0 653 0.769 1.075 1 U 26.290 0 e 0 0 0 654 0.702 1.073 1 U 17.520 0 e 0 0 0 655 0.685 0.973 1 U 113.430 0 e 0 0 0 656 0.660 0.903 1 U 37.260 0 e 0 0 0 657 0.628 0.902 1 U 72.370 0 e 0 0 0 658 0.507 0.816 1 U 57.870 0 e 0 0 0 659 0.506 0.764 1 U 129.290 0 e 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 . . 12.015 ppm . . . 4.71 . . 30625 1 2 . . H 1 H . . 12.015 ppm . . . 4.71 . . 30625 1 stop_ save_