######################### # 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 30481 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 HC # INAME 2 H # INAME 3 C # SPECTRUM C13NOESY HC H C 1 1.954 0.564 31.704 0 U 9.459E+03 0.000E+00 - 0 0 0 0 3 1.954 0.624 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 4 1.954 3.778 31.704 0 U 4.663E+03 0.000E+00 - 0 0 0 0 5 1.954 0.654 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 6 1.954 8.083 31.704 0 U 2.533E+03 0.000E+00 - 0 0 0 0 7 1.954 7.177 31.704 0 U 5.115E+03 0.000E+00 - 0 0 0 0 8 1.954 0.602 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 9 1.954 0.637 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 10 3.829 1.294 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 11 3.829 1.292 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 12 3.829 2.812 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 13 3.829 7.387 57.861 0 U 5.406E+03 0.000E+00 - 0 0 0 0 15 3.829 1.594 57.861 0 U 1.251E+04 0.000E+00 - 0 0 0 0 16 3.829 1.390 57.861 0 U 6.855E+03 0.000E+00 - 0 0 0 0 17 3.829 1.361 57.861 0 U 7.094E+03 0.000E+00 - 0 0 0 0 18 3.829 1.400 57.861 0 U 6.168E+03 0.000E+00 - 0 0 0 0 19 3.829 2.795 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 20 3.829 1.583 57.861 0 U 1.433E+04 0.000E+00 - 0 0 0 0 21 0.621 1.413 23.735 0 U 2.319E+04 0.000E+00 - 0 0 0 0 22 0.621 1.515 23.735 0 U 1.325E+04 0.000E+00 - 0 0 0 0 23 0.621 0.675 23.735 0 U 2.171E+05 0.000E+00 - 0 0 0 0 24 0.621 1.442 23.735 0 U 2.372E+04 0.000E+00 - 0 0 0 0 25 0.621 4.098 23.735 0 U 5.519E+03 0.000E+00 - 0 0 0 0 26 3.449 1.442 49.822 0 U 4.465E+03 0.000E+00 - 0 0 0 0 27 3.449 3.301 49.822 0 U 5.201E+03 0.000E+00 - 0 0 0 0 28 3.871 1.210 54.572 0 U 1.083E+04 0.000E+00 - 0 0 0 0 29 3.871 3.902 54.572 0 U 1.556E+04 0.000E+00 - 0 0 0 0 30 3.871 3.959 54.572 0 U 5.531E+03 0.000E+00 - 0 0 0 0 31 3.833 3.789 62.177 0 U 1.876E+04 0.000E+00 - 0 0 0 0 32 1.874 3.902 28.192 0 U 3.460E+03 0.000E+00 - 0 0 0 0 33 1.874 1.605 28.192 0 U 6.844E+03 0.000E+00 - 0 0 0 0 34 1.874 1.529 28.192 0 U 4.366E+03 0.000E+00 - 0 0 0 0 35 1.874 2.025 28.192 0 U 5.904E+03 0.000E+00 - 0 0 0 0 36 0.536 7.739 21.925 0 U 1.563E+03 0.000E+00 - 0 0 0 0 37 0.536 0.536 21.925 0 U 3.443E+05 0.000E+00 - 0 0 0 0 38 0.536 8.292 21.925 0 U 3.537E+03 0.000E+00 - 0 0 0 0 39 0.536 1.594 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 40 0.536 1.235 21.925 0 U 1.363E+04 0.000E+00 - 0 0 0 0 41 0.536 2.017 21.925 0 U 5.448E+03 0.000E+00 - 0 0 0 0 42 0.536 3.782 21.925 0 U 1.794E+04 0.000E+00 - 0 0 0 0 43 0.536 1.585 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 44 0.564 1.954 24.606 0 U 4.343E+03 0.000E+00 - 0 0 0 0 45 0.564 1.204 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 46 0.564 3.765 24.606 0 U 6.486E+03 0.000E+00 - 0 0 0 0 47 0.564 1.560 24.606 0 U 2.033E+04 0.000E+00 - 0 0 0 0 48 0.564 0.556 24.606 0 U 3.493E+05 0.000E+00 - 0 0 0 0 49 0.564 0.624 24.606 0 U 2.818E+05 0.000E+00 - 0 0 0 0 50 0.564 1.206 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 51 0.564 1.514 24.606 0 U 2.084E+04 0.000E+00 - 0 0 0 0 52 0.564 1.362 24.606 0 U 1.548E+04 0.000E+00 - 0 0 0 0 53 0.564 1.669 24.606 0 U 5.656E+03 0.000E+00 - 0 0 0 0 54 0.564 0.637 24.606 0 U 1.794E+05 0.000E+00 - 0 0 0 0 55 3.663 7.997 45.759 0 U 3.274E+03 0.000E+00 - 0 0 0 0 56 3.663 3.818 45.759 0 U 8.276E+03 0.000E+00 - 0 0 0 0 58 3.642 1.594 59.049 0 U 9.947E+03 0.000E+00 - 0 0 0 0 59 3.642 1.361 59.049 0 U 6.915E+03 0.000E+00 - 0 0 0 0 60 3.642 1.374 59.049 0 U 7.012E+03 0.000E+00 - 0 0 0 0 61 1.873 3.983 28.990 0 U 5.977E+03 0.000E+00 - 0 0 0 0 62 1.873 1.778 28.990 0 U 2.607E+04 0.000E+00 - 0 0 0 0 63 1.873 1.630 28.990 0 U 8.455E+03 0.000E+00 - 0 0 0 0 64 1.873 2.091 28.990 0 U 1.454E+04 0.000E+00 - 0 0 0 0 65 1.204 0.564 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 66 1.204 1.576 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 67 1.204 3.765 17.948 0 U 8.856E+03 0.000E+00 - 0 0 0 0 68 1.204 1.560 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 69 1.204 0.556 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 70 1.204 3.828 17.948 0 U 2.448E+04 0.000E+00 - 0 0 0 0 71 1.204 0.624 17.948 0 U 5.617E+03 0.000E+00 - 0 0 0 0 72 1.204 0.774 17.948 0 U 6.352E+03 0.000E+00 - 0 0 0 0 73 1.204 7.628 17.948 0 U 1.083E+04 0.000E+00 - 0 0 0 0 74 1.204 7.177 17.948 0 U 6.945E+03 0.000E+00 - 0 0 0 0 75 1.204 1.206 17.948 0 U 1.612E+05 0.000E+00 - 0 0 0 0 76 1.204 0.637 17.948 0 U 5.505E+03 0.000E+00 - 0 0 0 0 77 3.983 1.873 55.980 0 U 9.942E+03 0.000E+00 - 0 0 0 0 78 3.983 1.778 55.980 0 U 8.603E+03 0.000E+00 - 0 0 0 0 79 3.983 3.865 55.980 0 U 6.654E+03 0.000E+00 - 0 0 0 0 80 3.983 2.091 55.980 0 U 7.650E+03 0.000E+00 - 0 0 0 0 81 3.983 7.613 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 82 3.983 7.607 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 83 4.030 4.006 69.612 0 U 2.507E+04 0.000E+00 - 0 0 0 0 84 4.030 4.070 69.612 0 U 2.267E+04 0.000E+00 - 0 0 0 0 85 4.030 1.020 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 86 4.030 3.875 69.612 0 U 1.218E+04 0.000E+00 - 0 0 0 0 87 4.030 1.022 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 88 1.778 1.873 28.990 0 U 2.680E+04 0.000E+00 - 0 0 0 0 89 1.778 3.983 28.990 0 U 6.647E+03 0.000E+00 - 0 0 0 0 90 1.778 2.091 28.990 0 U 1.186E+04 0.000E+00 - 0 0 0 0 91 3.281 0.556 66.308 0 U 7.424E+03 0.000E+00 - 0 0 0 0 92 3.281 0.774 66.308 0 U 9.501E+03 0.000E+00 - 0 0 0 0 93 3.281 0.724 66.308 0 U 1.228E+04 0.000E+00 - 0 0 0 0 94 3.281 2.017 66.308 0 U 7.164E+03 0.000E+00 - 0 0 0 0 95 1.576 1.204 38.354 0 U 4.102E+03 0.000E+00 - 0 0 0 0 96 1.576 3.778 38.354 0 U 4.578E+03 0.000E+00 - 0 0 0 0 97 1.576 0.654 38.354 0 U 1.149E+04 0.000E+00 - 0 0 0 0 98 1.576 0.602 38.354 0 U 1.100E+04 0.000E+00 - 0 0 0 0 99 3.436 3.563 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 100 3.436 8.564 46.954 0 U 2.975E+03 0.000E+00 - 0 0 0 0 101 3.436 0.654 46.954 0 U 3.602E+03 0.000E+00 - 0 0 0 0 102 3.436 3.558 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 103 3.436 3.441 46.954 0 U 1.363E+04 0.000E+00 - 0 0 0 0 104 0.657 0.649 23.019 0 U 1.729E+05 0.000E+00 - 0 0 0 0 105 0.657 1.401 23.019 0 U 1.276E+04 0.000E+00 - 0 0 0 0 106 0.657 1.758 23.019 0 U 9.711E+03 0.000E+00 - 0 0 0 0 107 0.657 3.959 23.019 0 U 6.773E+03 0.000E+00 - 0 0 0 0 108 0.657 0.600 23.019 0 U 1.313E+05 0.000E+00 - 0 0 0 0 109 0.657 1.311 23.019 0 U 1.473E+04 0.000E+00 - 0 0 0 0 110 3.922 1.630 56.423 0 U 5.388E+03 0.000E+00 - 0 0 0 0 111 3.922 1.390 56.423 0 U 4.478E+03 0.000E+00 - 0 0 0 0 112 3.922 1.400 56.423 0 U 5.638E+03 0.000E+00 - 0 0 0 0 113 3.922 1.494 56.423 0 U 6.941E+03 0.000E+00 - 0 0 0 0 114 3.922 7.778 56.423 0 U 5.830E+03 0.000E+00 - 0 0 0 0 115 1.630 1.873 30.135 0 U 1.525E+04 0.000E+00 - 0 0 0 0 116 1.630 3.922 30.135 0 U 3.075E+03 0.000E+00 - 0 0 0 0 117 1.630 1.292 30.135 0 U 5.764E+03 0.000E+00 - 0 0 0 0 118 1.630 2.812 30.135 0 U 3.335E+03 0.000E+00 - 0 0 0 0 119 1.630 1.833 30.135 0 U 2.241E+04 0.000E+00 - 0 0 0 0 120 1.630 1.390 30.135 0 U 5.430E+03 0.000E+00 - 0 0 0 0 121 1.630 1.494 30.135 0 U 1.214E+04 0.000E+00 - 0 0 0 0 122 1.630 2.019 30.135 0 U 8.104E+03 0.000E+00 - 0 0 0 0 123 1.630 7.778 30.135 0 U 2.767E+03 0.000E+00 - 0 0 0 0 124 3.765 0.564 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 125 3.765 1.204 57.885 0 U 7.580E+03 0.000E+00 - 0 0 0 0 126 3.765 1.560 57.885 0 U 1.216E+04 0.000E+00 - 0 0 0 0 127 3.765 0.556 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 128 3.765 0.624 57.885 0 U 1.140E+04 0.000E+00 - 0 0 0 0 129 3.765 0.724 57.885 0 U 4.956E+03 0.000E+00 - 0 0 0 0 130 3.765 1.206 57.885 0 U 7.580E+03 0.000E+00 - 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0 0 0 0 586 3.782 3.875 57.983 0 U 1.424E+04 0.000E+00 - 0 0 0 0 587 1.669 0.564 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 588 1.669 7.739 31.958 0 U 8.086E+03 0.000E+00 - 0 0 0 0 589 1.669 3.671 31.958 0 U 6.682E+03 0.000E+00 - 0 0 0 0 590 1.669 0.556 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 591 1.669 3.828 31.958 0 U 5.018E+03 0.000E+00 - 0 0 0 0 592 1.669 0.774 31.958 0 U 3.127E+03 0.000E+00 - 0 0 0 0 593 1.669 0.724 31.958 0 U 2.708E+03 0.000E+00 - 0 0 0 0 594 1.669 1.235 31.958 0 U 7.017E+03 0.000E+00 - 0 0 0 0 595 1.669 1.093 31.958 0 U 8.427E+03 0.000E+00 - 0 0 0 0 596 1.669 1.206 31.958 0 U 8.547E+03 0.000E+00 - 0 0 0 0 597 1.669 7.578 31.958 0 U 4.821E+03 0.000E+00 - 0 0 0 0 598 1.669 1.362 31.958 0 U 8.068E+03 0.000E+00 - 0 0 0 0 599 1.020 4.030 21.098 0 U 3.324E+04 0.000E+00 - 0 0 0 0 600 1.020 4.006 21.098 0 U 3.061E+04 0.000E+00 - 0 0 0 0 601 1.020 4.070 21.098 0 U 2.917E+04 0.000E+00 - 0 0 0 0 602 1.020 3.875 21.098 0 U 1.841E+04 0.000E+00 - 0 0 0 0 603 1.020 1.022 21.098 0 U 2.652E+05 0.000E+00 - 0 0 0 0 604 2.019 1.630 34.162 0 U 1.582E+04 0.000E+00 - 0 0 0 0 605 2.019 1.639 34.162 0 U 1.633E+04 0.000E+00 - 0 0 0 0 606 2.019 1.833 34.162 0 U 4.070E+04 0.000E+00 - 0 0 0 0 607 2.019 7.613 34.162 0 U 5.000E+03 0.000E+00 - 0 0 0 0 608 1.221 1.292 24.798 0 U 7.222E+03 0.000E+00 - 0 0 0 0 609 1.221 1.111 24.798 0 U 1.107E+04 0.000E+00 - 0 0 0 0 611 1.221 1.390 24.798 0 U 7.130E+03 0.000E+00 - 0 0 0 0 612 1.221 1.361 24.798 0 U 7.834E+03 0.000E+00 - 0 0 0 0 613 1.221 1.223 24.798 0 U 1.662E+04 0.000E+00 - 0 0 0 0 615 1.221 1.318 24.798 0 U 7.172E+03 0.000E+00 - 0 0 0 0 616 3.558 3.436 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 617 3.558 3.563 46.954 0 U 1.219E+04 0.000E+00 - 0 0 0 0 618 3.558 8.564 46.954 0 U 4.649E+03 0.000E+00 - 0 0 0 0 619 3.558 0.654 46.954 0 U 3.894E+03 0.000E+00 - 0 0 0 0 620 3.558 3.441 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 621 1.311 0.657 41.798 0 U 4.807E+03 0.000E+00 - 0 0 0 0 622 1.311 0.649 41.798 0 U 6.039E+03 0.000E+00 - 0 0 0 0 623 1.311 1.401 41.798 0 U 2.816E+03 0.000E+00 - 0 0 0 0 624 1.311 1.758 41.798 0 U 2.914E+03 0.000E+00 - 0 0 0 0 625 1.311 0.513 41.798 0 U 1.211E+03 0.000E+00 - 0 0 0 0 626 1.311 0.600 41.798 0 U 6.682E+03 0.000E+00 - 0 0 0 0 627 1.585 0.536 41.878 0 U 8.732E+03 0.000E+00 - 0 0 0 0 628 1.585 1.594 41.878 0 U 1.121E+04 0.000E+00 - 0 0 0 0 629 1.585 1.235 41.878 0 U 6.881E+03 0.000E+00 - 0 0 0 0 630 1.585 3.782 41.878 0 U 3.166E+03 0.000E+00 - 0 0 0 0 631 3.707 7.802 56.978 0 U 5.987E+03 0.000E+00 - 0 0 0 0 632 3.707 1.111 56.978 0 U 5.321E+03 0.000E+00 - 0 0 0 0 633 3.707 1.223 56.978 0 U 6.837E+03 0.000E+00 - 0 0 0 0 634 3.707 1.318 56.978 0 U 6.661E+03 0.000E+00 - 0 0 0 0 635 3.707 7.778 56.978 0 U 6.656E+03 0.000E+00 - 0 0 0 0 636 3.875 4.030 64.204 0 U 6.189E+03 0.000E+00 - 0 0 0 0 637 3.875 4.006 64.204 0 U 5.261E+03 0.000E+00 - 0 0 0 0 638 3.875 3.782 64.204 0 U 4.593E+03 0.000E+00 - 0 0 0 0 639 3.875 1.020 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 640 3.875 1.022 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 641 3.441 3.436 43.701 0 U 1.404E+04 0.000E+00 - 0 0 0 0 642 3.441 3.563 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 643 3.441 3.558 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 644 0.602 1.954 12.776 0 U 6.730E+03 0.000E+00 - 0 0 0 0 645 0.602 1.576 12.776 0 U 7.249E+03 0.000E+00 - 0 0 0 0 646 0.602 3.778 12.776 0 U 5.061E+03 0.000E+00 - 0 0 0 0 647 0.602 0.654 12.776 0 U 2.877E+05 0.000E+00 - 0 0 0 0 648 1.022 4.030 20.702 0 U 1.910E+04 0.000E+00 - 0 0 0 0 649 1.022 4.006 20.702 0 U 1.847E+04 0.000E+00 - 0 0 0 0 650 1.022 4.070 20.702 0 U 1.595E+04 0.000E+00 - 0 0 0 0 651 1.022 1.020 20.702 0 U 1.541E+05 0.000E+00 - 0 0 0 0 652 1.022 3.875 20.702 0 U 1.049E+04 0.000E+00 - 0 0 0 0 653 1.095 1.183 27.964 0 U 1.696E+04 0.000E+00 - 0 0 0 0 654 1.583 3.829 29.999 0 U 5.912E+03 0.000E+00 - 0 0 0 0 655 1.583 1.833 29.999 0 U 5.334E+03 0.000E+00 - 0 0 0 0 656 1.583 7.387 29.999 0 U 2.665E+03 0.000E+00 - 0 0 0 0 657 1.583 7.778 29.999 0 U 3.344E+03 0.000E+00 - 0 0 0 0 658 0.637 1.954 20.417 0 U 1.635E+04 0.000E+00 - 0 0 0 0 659 0.637 0.564 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 660 0.637 1.204 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 661 0.637 3.765 20.417 0 U 5.608E+03 0.000E+00 - 0 0 0 0 663 0.637 1.560 20.417 0 U 7.997E+03 0.000E+00 - 0 0 0 0 664 0.637 0.556 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 665 0.637 0.624 20.417 0 U 1.657E+05 0.000E+00 - 0 0 0 0 666 0.637 3.778 20.417 0 U 6.701E+03 0.000E+00 - 0 0 0 0 667 0.637 1.206 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 668 0.637 1.514 20.417 0 U 5.132E+03 0.000E+00 - 0 0 0 0 669 0.602 1.734 12.466 0 U 8.517E+03 0.000E+00 - 0 0 0 0 670 0.602 3.112 12.466 0 U 2.170E+03 0.000E+00 - 0 0 0 0 671 0.602 0.995 12.466 0 U 1.580E+04 0.000E+00 - 0 0 0 0 672 0.602 0.604 12.466 0 U 3.099E+05 0.000E+00 - 0 0 0 0 673 0.602 1.084 12.466 0 U 6.927E+03 0.000E+00 - 0 0 0 0 674 3.663 3.782 45.759 0 U 7.786E+03 0.000E+00 - 0 0 0 0 675 3.663 4.063 45.759 0 U 3.492E+03 0.000E+00 - 0 0 0 0 676 3.818 4.063 45.759 0 U 3.055E+03 0.000E+00 - 0 0 0 0 677 4.098 3.461 58.803 0 U 2.129E+03 0.000E+00 - 0 0 0 0 678 3.301 4.098 49.822 0 U 1.560E+03 0.000E+00 - 0 0 0 0 679 3.449 4.098 49.822 0 U 2.447E+03 0.000E+00 - 0 0 0 0 680 2.612 1.362 41.844 0 U 2.981E+04 0.000E+00 - 0 0 0 0 681 2.501 2.406 41.568 0 U 3.669E+04 0.000E+00 - 0 0 0 0 682 2.406 2.501 41.568 0 U 2.999E+04 0.000E+00 - 0 0 0 0 683 2.612 1.093 41.844 0 U 9.154E+03 0.000E+00 - 0 0 0 0 684 3.902 7.701 66.485 0 U 2.507E+03 0.000E+00 - 0 0 0 0 685 1.088 2.406 28.261 0 U 4.761E+03 0.000E+00 - 0 0 0 0 686 1.088 1.111 28.261 0 U 6.595E+04 0.000E+00 - 0 0 0 0 687 1.088 3.707 28.261 0 U 3.810E+03 0.000E+00 - 0 0 0 0 688 1.088 1.223 28.261 0 U 9.387E+03 0.000E+00 - 0 0 0 0 689 1.088 1.318 28.261 0 U 4.659E+03 0.000E+00 - 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 . . 13.9518 ppm . . . 4.701 . . 30481 1 2 . . C 13 C-aliphatic . . 74.9999 ppm . . . 44.000 . . 30481 1 3 . . H 1 H . . 14.0000 ppm . . . 4.701 . . 30481 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 30481 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 HN # INAME 2 H # INAME 3 N # SPECTRUM N15NOESY HN H N 677 8.353 3.959 117.822 0 U 7.130E+02 0.000E+00 - 0 0 0 0 678 8.353 1.401 117.822 0 U 1.453E+03 0.000E+00 - 0 0 0 0 679 8.353 1.311 117.822 0 U 2.025E+03 0.000E+00 - 0 0 0 0 680 8.353 0.657 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 681 8.353 3.402 117.822 0 U 9.720E+02 0.000E+00 - 0 0 0 0 682 8.353 3.833 117.822 0 U 1.215E+03 0.000E+00 - 0 0 0 0 683 8.353 1.758 117.822 0 U 9.160E+02 0.000E+00 - 0 0 0 0 684 8.353 0.649 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 685 8.353 7.654 117.822 0 U 1.255E+03 0.000E+00 - 0 0 0 0 686 8.353 0.600 117.822 0 U 3.228E+03 0.000E+00 - 0 0 0 0 687 8.353 3.789 117.822 0 U 9.120E+02 0.000E+00 - 0 0 0 0 688 8.353 7.709 117.822 0 U 8.330E+02 0.000E+00 - 0 0 0 0 689 7.791 3.959 122.831 0 U 2.296E+03 0.000E+00 - 0 0 0 0 690 7.791 3.385 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 691 7.791 0.657 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 692 7.791 8.512 122.831 0 U 1.108E+03 0.000E+00 - 0 0 0 0 693 7.791 3.402 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 694 7.791 0.649 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 695 7.791 7.654 122.831 0 U 2.058E+03 0.000E+00 - 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0 0 0 0 948 8.292 2.017 118.727 0 U 9.250E+02 0.000E+00 - 0 0 0 0 949 8.292 1.594 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 950 7.778 3.922 118.211 0 U 1.086E+03 0.000E+00 - 0 0 0 0 951 7.778 3.707 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 952 7.778 1.400 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 953 7.778 2.812 118.211 0 U 8.300E+02 0.000E+00 - 0 0 0 0 954 7.778 3.829 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 955 7.778 1.223 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 956 7.778 3.865 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 957 7.778 3.642 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 958 7.778 7.802 118.211 0 U 2.771E+03 0.000E+00 - 0 0 0 0 959 7.778 1.390 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 960 7.778 1.292 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 961 7.709 8.353 112.919 0 U 9.140E+02 0.000E+00 - 0 0 0 0 962 7.709 3.959 112.919 0 U 7.560E+02 0.000E+00 - 0 0 0 0 963 7.709 7.791 112.919 0 U 1.645E+03 0.000E+00 - 0 0 0 0 964 7.709 1.401 112.919 0 U 8.630E+02 0.000E+00 - 0 0 0 0 965 7.709 1.311 112.919 0 U 1.082E+03 0.000E+00 - 0 0 0 0 966 7.709 3.385 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 967 7.709 3.402 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 968 7.709 3.833 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 969 7.709 1.758 112.919 0 U 6.470E+02 0.000E+00 - 0 0 0 0 970 7.709 7.654 112.919 0 U 4.182E+03 0.000E+00 - 0 0 0 0 971 7.709 0.600 112.919 0 U 2.240E+03 0.000E+00 - 0 0 0 0 972 7.709 3.789 112.919 0 U 4.313E+03 0.000E+00 - 0 0 0 0 973 7.709 1.598 112.919 0 U 1.384E+03 0.000E+00 - 0 0 0 0 974 7.709 0.513 112.919 0 U 1.492E+03 0.000E+00 - 0 0 0 0 975 7.709 1.210 112.919 0 U 9.700E+02 0.000E+00 - 0 0 0 0 976 7.709 3.871 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 977 7.131 3.959 118.587 0 U 1.099E+03 0.000E+00 - 0 0 0 0 978 7.131 1.311 118.587 0 U 1.166E+03 0.000E+00 - 0 0 0 0 979 7.131 1.605 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 980 7.131 0.621 118.587 0 U 5.920E+02 0.000E+00 - 0 0 0 0 981 7.131 3.818 118.587 0 U 2.165E+03 0.000E+00 - 0 0 0 0 982 7.131 1.442 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 983 7.131 1.515 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 984 7.131 7.654 118.587 0 U 9.910E+02 0.000E+00 - 0 0 0 0 985 7.131 1.413 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 986 7.131 2.025 118.587 0 U 8.890E+02 0.000E+00 - 0 0 0 0 987 7.131 1.598 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 988 7.131 1.210 118.587 0 U 2.817E+03 0.000E+00 - 0 0 0 0 989 7.131 3.871 118.587 0 U 2.700E+03 0.000E+00 - 0 0 0 0 990 7.131 1.529 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 991 7.131 3.449 118.587 0 U 7.110E+02 0.000E+00 - 0 0 0 0 992 7.131 3.301 118.587 0 U 7.660E+02 0.000E+00 - 0 0 0 0 993 7.739 0.536 119.790 0 U 8.220E+02 0.000E+00 - 0 0 0 0 994 7.739 0.556 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 995 7.739 1.206 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 996 7.739 3.828 119.790 0 U 6.030E+02 0.000E+00 - 0 0 0 0 997 7.739 0.724 119.790 0 U 8.620E+02 0.000E+00 - 0 0 0 0 999 7.739 1.514 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 1000 7.739 1.669 119.790 0 U 4.003E+03 0.000E+00 - 0 0 0 0 1001 7.739 1.362 119.790 0 U 7.180E+02 0.000E+00 - 0 0 0 0 1002 7.739 3.289 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 1003 7.739 7.578 119.790 0 U 4.515E+03 0.000E+00 - 0 0 0 0 1004 7.739 1.093 119.790 0 U 1.395E+03 0.000E+00 - 0 0 0 0 1005 7.739 0.637 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1006 7.739 0.624 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1007 7.739 0.564 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1008 7.739 1.204 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 1009 7.739 3.281 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 1010 7.739 3.671 119.790 0 U 2.073E+03 0.000E+00 - 0 0 0 0 1011 7.739 1.560 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 1012 7.739 3.778 119.790 0 U 1.642E+03 0.000E+00 - 0 0 0 0 1013 7.739 8.083 119.790 0 U 1.105E+03 0.000E+00 - 0 0 0 0 1014 7.802 1.318 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 1015 7.802 1.583 119.511 0 U 1.369E+03 0.000E+00 - 0 0 0 0 1016 7.802 1.294 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1017 7.802 7.387 119.511 0 U 7.170E+02 0.000E+00 - 0 0 0 0 1018 7.802 3.707 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 1019 7.802 1.374 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 1020 7.802 1.400 119.511 0 U 1.056E+03 0.000E+00 - 0 0 0 0 1022 7.802 3.829 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 1023 7.802 1.223 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1024 7.802 7.778 119.511 0 U 2.853E+03 0.000E+00 - 0 0 0 0 1025 7.802 1.221 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1026 7.802 3.865 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 1027 7.802 3.642 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 1028 7.802 1.292 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1029 7.802 1.095 119.511 0 U 7.630E+02 0.000E+00 - 0 0 0 0 1030 8.083 0.774 117.746 0 U 6.170E+02 0.000E+00 - 0 0 0 0 1031 8.083 0.556 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1032 8.083 1.206 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 1033 8.083 3.828 117.746 0 U 6.010E+02 0.000E+00 - 0 0 0 0 1034 8.083 0.724 117.746 0 U 2.029E+03 0.000E+00 - 0 0 0 0 1035 8.083 7.628 117.746 0 U 9.620E+02 0.000E+00 - 0 0 0 0 1036 8.083 1.514 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 1037 8.083 3.289 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 1038 8.083 3.765 117.746 0 U 1.978E+03 0.000E+00 - 0 0 0 0 1039 8.083 3.558 117.746 0 U 1.090E+03 0.000E+00 - 0 0 0 0 1040 8.083 3.436 117.746 0 U 1.066E+03 0.000E+00 - 0 0 0 0 1041 8.083 0.637 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1042 8.083 0.624 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1043 8.083 7.177 117.746 0 U 1.112E+03 0.000E+00 - 0 0 0 0 1044 8.083 0.564 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1045 8.083 1.204 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 1046 8.083 3.281 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 1047 8.083 7.739 117.746 0 U 1.158E+03 0.000E+00 - 0 0 0 0 1048 8.083 1.560 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 1049 8.083 1.954 117.746 0 U 1.139E+03 0.000E+00 - 0 0 0 0 1050 7.131 3.663 118.587 0 U 6.690E+02 0.000E+00 - 0 0 0 0 1051 7.356 7.356 111.402 0 U 3.293E+04 0.000E+00 - 0 0 0 0 1052 7.356 6.544 111.402 0 U 1.160E+04 0.000E+00 - 0 0 0 0 1053 7.356 2.091 111.402 0 U 1.184E+02 0.000E+00 - 0 0 0 0 1054 6.544 6.544 111.402 0 U 7.561E+04 0.000E+00 - 0 0 0 0 1055 6.544 7.356 111.402 0 U 1.501E+04 0.000E+00 - 0 0 0 0 1056 7.307 7.307 111.268 0 U 3.201E+04 0.000E+00 - 0 0 0 0 1057 7.307 6.547 111.268 0 U 5.172E+03 0.000E+00 - 0 0 0 0 1058 6.547 7.307 111.268 0 U 1.501E+04 0.000E+00 - 0 0 0 0 1059 6.547 6.547 111.268 0 U 3.507E+04 0.000E+00 - 0 0 0 0 1060 7.701 3.902 112.919 0 U 2.809E+03 0.000E+00 - 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 HN . . 11.9855 ppm . . . 4.671 . . 30481 2 2 . . N 15 N . folded 32.0000 ppm . . . 118.030 . . 30481 2 3 . . H 1 H . . 12.0000 ppm . . . 4.671 . . 30481 2 stop_ save_