######################### # 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 30817 _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 1 _Spectral_peak_list.Experiment_name 2D_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 ; label dataset sw sf 1H 2H 7002.80078125 7002.80078125 700.132995605 700.132995605 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 flag8 flag9 0 {595.h6} 5.45423 0.01928 0.01715 ++ {0.0} {} {595.h5} 7.96156 0.05106 0.06226 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 1 {594.h6} 5.61917 0.02121 0.02828 ++ {0.0} {} {594.h5} 7.92930 0.04569 0.04955 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 2 {589.h8} 5.45307 0.01780 0.05903 ++ {0.0} {} {589.h1'} 7.61987 0.04761 0.02318 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 3 {597.h6} 5.55052 0.01653 0.03949 ++ {0.0} {} {597.h5} 7.69914 0.05582 0.02172 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 4 {593.h6} 5.93139 0.01907 0.04196 ++ {0.0} {} {593.h5} 7.93717 0.04597 0.02166 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 5 {596.h6} 5.70892 0.01780 0.02373 ++ {0.0} {} {596.h5} 7.92145 0.02955 0.03940 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 6 {582.h8} 5.87914 0.04134 0.01713 ++ {0.0} {} {582.h1'} 8.26051 0.01244 0.02773 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 7 {583.h8} 5.87879 0.02658 0.02841 ++ {0.0} {} {582.h1'} 7.65800 0.00933 0.01858 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 8 {583.h8} 5.93089 0.03396 0.04528 ++ {0.0} {} {583.h1'} 7.65635 0.01088 0.01684 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 9 {584.h8} 5.94013 0.73189 0.02551 ++ {0.0} {} {583.h1'} 7.82726 0.16497 0.04630 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 10 {589.h6} 5.38733 0.03933 0.05244 ++ {0.0} {} {593.h1'} 8.05041 0.00959 0.01278 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 11 {596.h6} 5.45656 0.01687 0.01389 ++ {0.0} {} {597.h5} 7.50184 0.00729 0.00972 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 12 {594.h6} 5.51820 0.04787 0.02847 ++ {0.0} {} {594.h1'} 7.92748 0.01127 0.01999 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 13 {595.h6} 5.50827 0.03191 0.01822 ++ {0.0} {} {594.h1'} 7.97245 0.01202 0.01603 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 14 {593.h6} 5.51456 0.02722 0.02881 ++ {0.0} {} {593.h1'} 7.93553 0.01202 0.01603 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 15 {595.h6} 5.55838 0.03097 0.01801 ++ {0.0} {} {595.h1'} 7.96851 0.01278 0.04348 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 16 {596.h6} 5.56031 0.03285 0.00967 ++ {0.0} {} {595.h1'} 7.91346 0.01202 0.02955 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 17 {588.h8} 5.68302 0.04831 0.01805 ++ {0.0} {} {588.h1'} 8.08384 0.01514 0.01793 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 18 {597.h6} 5.60045 0.03732 0.01437 ++ {0.0} {} {596.h1'} 7.69580 0.01594 0.03820 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 19 {597.h1'} 5.49401 0.04265 0.05687 ++ {0.0} {} {597.h6} 7.25256 0.00957 0.03648 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 20 {584.h2} 5.59786 0.01455 0.01940 ++ {0.0} {} {596.h1'} 7.50734 0.02089 0.02786 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 21 {584.h2} 5.65370 0.01309 0.01746 ++ {0.0} {} {585.h1'} 7.50803 0.02670 0.01962 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 22 {585.h8} 5.64695 0.01455 0.02396 ++ {0.0} {} {585.h1'} 7.12446 0.02322 0.03096 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 23 {584.h1'} 6.02477 0.01600 0.01386 ++ {0.0} {} {585.h8} 7.12197 0.01509 0.02012 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 24 {586.h8} 5.64722 0.01600 0.02654 ++ {0.0} {} {585.h1'} 7.17986 0.15323 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 25 {596.h6} 5.59879 0.02182 0.01265 ++ {0.0} {} {596.h1'} 7.91773 0.03047 0.04063 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 26 {586.h8} 5.72776 0.03016 0.02082 ++ {0.0} {} {586.h1'} 7.17594 0.01151 0.04247 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 27 {587.h1'} 5.50709 0.03564 0.03397 ++ {0.0} {} {586.h8} 7.27779 0.02138 0.01091 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 28 {587.h8} 5.88707 0.03838 0.01935 ++ {0.0} {} {587.h1'} 7.86417 0.01645 0.02193 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 29 {592.h8} 5.91691 0.03290 0.04387 ++ {0.0} {} {592.h1'} 7.99847 0.02344 0.02156 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 30 {593.h6} 5.91601 0.01496 0.01995 ++ {0.0} {} {592.h1'} 7.93533 0.01498 0.01997 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 31 {597.h1'} 5.60742 0.01077 0.01436 ++ {0.0} {} {597.h6} 7.59881 0.00754 0.00802 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 32 {584.h8} 6.02507 0.01700 0.01208 ++ {0.0} {} {584.h1'} 7.82003 0.03607 0.05181 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 33 {591.h8} 6.01180 0.01233 0.05958 ++ {0.0} {} {591.h1'} 8.35562 0.04429 0.01686 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 34 {591.h8} 5.71870 0.01274 0.07034 ++ {0.0} {} {590.h1'} 8.35338 0.02742 0.02026 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 35 {592.h8} 6.01466 0.00395 0.03555 ++ {0.0} {} {591.h1'} 7.99948 0.02946 0.01092 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 36 {590.h8} 6.26465 0.02123 0.02830 ++ {0.0} {} {590.h1'} 8.10358 0.00924 0.01232 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 37 {588.h1'} 6.20155 0.01739 0.02319 ++ {0.0} {} {589.h8} 7.55972 0.03602 0.04802 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 38 {582.h8} 4.98496 0.03981 0.03037 ++ {0.0} {} {582.h2'} 8.25487 0.01997 0.01034 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 39 {583.h8} 5.00019 0.03454 0.05927 ++ {0.0} {} {582.h2'} 7.65406 0.01396 0.02661 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 40 {585.h1'} 4.52313 0.00991 0.02340 ++ {0.0} {} {585.h2'} 5.64246 0.04407 0.02595 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 41 {585.h1'} 4.41543 0.00886 0.01899 ++ {0.0} {} {585.h3'} 5.64179 0.03917 0.01898 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 42 {585.h8} 4.51579 0.01977 0.02413 ++ {0.0} {} {585.h2'} 7.13213 0.05810 0.05457 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 43 {585.h8} 4.42222 0.01130 0.05603 ++ {0.0} {} {585.h3'} 7.12758 0.03298 0.01415 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 44 {586.h8} 4.42608 0.01986 0.02647 ++ {0.0} {} {586.h3'} 7.17469 0.04140 0.05521 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 45 {583.h1'} 4.59631 0.01054 0.04563 ++ {0.0} {} {583.h2'} 5.93968 0.04284 0.02195 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 46 {583.h1'} 4.68971 0.00790 0.07851 ++ {0.0} {} {583.h3'} 5.94061 0.02652 0.01233 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 47 {586.h8} 4.51396 0.04639 0.03338 ++ {0.0} {} {586.h2'} 7.18035 0.01549 0.04662 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 48 {587.h2'} 4.96818 0.03178 0.02895 ++ {0.0} {} {586.h8} 6.98809 0.01136 0.03699 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 49 {586.h1'} 4.49995 0.02308 0.06579 ++ {0.0} {} {586.h2'} 5.71364 0.01678 0.01060 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 50 {583.h8} 4.69968 0.03219 0.04292 ++ {0.0} {} {583.h3'} 7.65644 0.00964 0.03427 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 51 {597.h6} 5.52297 0.05139 0.06852 ++ {0.0} {} {596.h2'} 6.41404 0.01640 0.02187 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 52 {596.h6} 4.22185 0.03426 0.04568 ++ {0.0} {} {596.h2'} 7.91964 0.01640 0.02187 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 53 {596.h1'} 4.24863 0.03426 0.04568 ++ {0.0} {} {596.h2'} 5.59852 0.02005 0.02673 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 54 {596.h1'} 4.44165 0.02398 0.02514 ++ {0.0} {} {596.h3'} 5.59989 0.03099 0.04132 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 55 {597.h1'} 4.01194 0.03332 0.04443 ++ {0.0} {} {597.h2'} 5.72856 0.01544 0.02059 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 56 {597.h6} 4.18847 0.02083 0.02777 ++ {0.0} {} {597.h3'} 7.68964 0.01158 0.01544 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 57 {597.h1'} 4.19113 0.04165 0.05554 ++ {0.0} {} {597.h3'} 5.72931 0.02075 0.02767 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 58 {595.h1'} 4.48320 0.03443 0.01601 ++ {0.0} {} {595.h2'} 5.53941 0.01292 0.01722 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 59 {595.h6} 4.39548 0.03610 0.04813 ++ {0.0} {} {595.h2'} 7.97049 0.01879 0.03298 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 60 {594.h1'} 4.46955 0.04920 0.03722 ++ {0.0} {} {594.h2'} 5.50628 0.01444 0.01925 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 61 {594.h1'} 4.13162 0.03740 0.03610 ++ {0.0} {} {594.h3'} 5.50568 0.01710 0.01474 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 62 {594.h6} 4.46530 0.01700 0.02458 ++ {0.0} {} {594.h2'} 7.92971 0.00892 0.01190 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 63 {595.h2'} 4.88397 0.03060 0.04080 ++ {0.0} {} {594.h6} 6.92162 0.01487 0.01983 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 64 {582.h1'} 5.00498 0.03984 0.05313 ++ {0.0} {} {582.h2'} 5.87716 0.01162 0.01549 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 65 {582.h1'} 4.84708 0.02656 0.03542 ++ {0.0} {} {582.h3'} 5.86947 0.02760 0.03679 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 66 {583.h8} 4.57923 0.01851 0.02468 ++ {0.0} {} {583.h2'} 7.64743 0.02487 0.03316 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 67 {582.h1'} 3.70017 0.00881 0.01175 ++ {0.0} {} {596.h3'} 6.66574 0.03193 0.04257 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 68 {597.h6} 4.01473 0.02618 0.03490 ++ {0.0} {} {597.h2'} 7.69405 0.03375 0.04500 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 69 {596.h1'} 4.50529 0.01410 0.01880 ++ {0.0} {} {596.h4'} 5.59713 0.02702 0.03602 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 70 {585.h1'} 4.07793 0.01101 0.01469 ++ {0.0} {} {585.h5'} 5.64210 0.02609 0.03479 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 71 {585.h1'} 4.07850 0.01638 0.02184 ++ {0.0} {} {585.h4'} 5.64168 0.04184 0.02074 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 72 {585.h8} 4.71741 0.01517 0.04593 ++ {0.0} {} {584.h2'} 7.12861 0.04064 0.05418 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 73 {585.h5'} 4.01815 0.01517 0.02023 ++ {0.0} {} {585.h8} 7.01756 0.03734 0.04979 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 74 {585.h8} 4.09214 0.01400 0.02449 ++ {0.0} {} {586.h4'} 7.17577 0.02856 0.03563 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 75 {589.h1'} 4.38797 0.01586 0.01072 ++ {0.0} {} {589.h2'} 5.44168 0.03385 0.01296 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 76 {589.h1'} 4.07482 0.01410 0.01880 ++ {0.0} {} {589.h3'} 5.44327 0.03385 0.01585 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 77 {589.h1'} 3.99445 0.01057 0.01410 ++ {0.0} {} {589.h4'} 5.38415 0.01630 0.02173 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 78 {583.h4'} 5.34081 0.01383 0.01843 ++ {0.0} {} {583.h8} 6.39245 0.03769 0.05025 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 79 {584.h1'} 4.22188 0.01704 0.02272 ++ {0.0} {} {584.h2'} 6.00509 0.05629 0.03693 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 80 {584.h1'} 4.20545 0.01065 0.01420 ++ {0.0} {} {584.h3'} 6.16865 0.02533 0.03378 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 81 {584.h8} 4.71602 0.01348 0.01797 ++ {0.0} {} {584.h2'} 7.82482 0.03470 0.06499 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 82 {586.h1'} 4.43222 0.00958 0.06015 ++ {0.0} {} {586.h3'} 5.71323 0.02955 0.01042 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 83 {586.h1'} 4.16876 0.02023 0.02698 ++ {0.0} {} {586.h4'} 6.02105 0.03659 0.01080 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 84 {588.h1'} 4.40646 0.00958 0.01278 ++ {0.0} {} {588.h2'} 5.66928 0.01689 0.01634 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 85 {586.h1'} 3.99884 0.00958 0.04723 ++ {0.0} {} {586.h5''} 6.02303 0.00985 0.01524 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 86 {592.h1'} 4.92982 0.01065 0.01420 ++ {0.0} {} {592.h2'} 5.90638 0.03800 0.03099 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 87 {593.h1'} 4.39863 0.01764 0.01269 ++ {0.0} {} {593.h2'} 5.50034 0.03694 0.01196 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 88 {593.h2'} 4.24654 0.01536 0.03580 ++ {0.0} {} {593.h6} 7.94937 0.02739 0.03990 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 89 {595.h1'} 4.24428 0.00799 0.03105 ++ {0.0} {} {593.h3'} 5.53818 0.01759 0.01651 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 90 {595.h1'} 4.39713 0.00532 0.00710 ++ {0.0} {} {595.h4'} 5.54766 0.00880 0.01173 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 91 {582.h3'} 5.34275 0.00668 0.00890 ++ {0.0} {} {582.h8} 6.85881 0.00955 0.01274 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 92 {582.h3'} 5.39510 0.01502 0.02003 ++ {0.0} {} {583.h8} 6.78009 0.00827 0.01102 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 93 {584.h8} 4.22066 0.00640 0.03025 ++ {0.0} {} {584.h3'} 7.82383 0.02116 0.05726 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 94 {593.h1'} 6.38437 0.02037 0.02717 ++ {0.0} {} {594.h8} 7.89006 0.01715 0.02105 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 95 {587.h8} 4.50274 0.02285 0.03047 ++ {0.0} {} {587.h2'} 7.86393 0.02267 0.03023 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 96 {587.h8} 4.14135 0.01870 0.02493 ++ {0.0} {} {587.h3'} 7.86189 0.02267 0.03023 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 97 {588.h8} 4.40003 0.01865 0.02487 ++ {0.0} {} {588.h2'} 8.08594 0.00778 0.00809 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 98 {594.h6} 4.26413 0.04570 0.06094 ++ {0.0} {} {594.h3'} 7.93760 0.00994 0.01326 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 99 {595.h6} 4.55708 0.03532 0.04709 ++ {0.0} {} {595.h3'} 7.96886 0.02237 0.02983 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 100 {584.h2} 6.02455 0.00766 0.01021 ++ {0.0} {} {584.h1'} 7.50791 0.02105 0.02806 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 101 {597.h6} 5.74163 0.01203 0.01604 ++ {0.0} {} {597.h1'} 7.69872 0.03999 0.05332 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 102 {591.h2} 5.91506 0.01235 0.03414 ++ {0.0} {} {592.h1'} 8.11735 0.00869 0.01159 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 103 {588.h8} 5.88685 0.01686 0.02248 ++ {0.0} {} {587.h1'} 8.08362 0.00481 0.03747 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 104 {587.h2} 5.67645 0.03747 0.01628 ++ {0.0} {} {588.h1'} 7.89096 0.00961 0.01281 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 105 {588.h1'} 5.44845 0.02333 0.03050 ++ {0.0} {} {589.h8} 6.74215 0.00630 0.03728 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 106 {589.h1'} 5.45470 0.02333 0.03111 ++ {0.0} {} {589.h8} 6.64606 0.00893 0.01462 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0 107 {591.h2} 6.01203 0.01833 0.02444 ++ {0.0} {} {591.h1'} 8.11863 0.00525 0.00700 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 108 {590.h8} 5.72639 0.04167 0.02757 ++ {0.0} {} {590.h1'} 7.87570 0.00525 0.01210 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 109 {582.h8} 4.84169 0.02975 0.03966 ++ {0.0} {} {582.h3'} 8.25858 0.01180 0.01573 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 110 {587.h1'} 4.49631 0.02481 0.03308 ++ {0.0} {} {587.h2'} 5.87431 0.00739 0.00986 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 111 {588.h1'} 3.97628 0.02116 0.02822 ++ {0.0} {} {588.h3'} 5.67183 0.00622 0.00829 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 112 {588.h1'} 4.15970 0.02419 0.03225 ++ {0.0} {} {588.h4'} 5.67183 0.00746 0.00995 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 113 {591.h1'} 4.79256 0.02859 0.03813 ++ {0.0} {} {591.h2'} 6.00436 0.01083 0.01444 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 114 {591.h8} 4.90767 0.02206 0.02942 ++ {0.0} {} {591.h3'} 8.34903 0.00404 0.00538 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 115 {591.h8} 4.80144 0.02084 0.02778 ++ {0.0} {} {591.h2'} 8.34903 0.00269 0.00359 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 116 {591.h1'} 4.91112 0.03135 0.04181 ++ {0.0} {} {591.h3'} 6.00469 0.01168 0.01558 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 117 {593.h6} 4.93531 0.04905 0.06540 ++ {0.0} {} {592.h2'} 7.93477 0.01093 0.01457 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 118 {592.h8} 4.38508 0.02803 0.03737 ++ {0.0} {} {592.h3'} 7.99528 0.00753 0.01005 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 119 {587.h2} 5.51295 0.02429 0.03239 ++ {0.0} {} {593.h1'} 7.88547 0.00823 0.01098 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 120 {588.h2} 6.01352 0.01716 0.02288 ++ {0.0} {} {591.h1'} 8.03110 0.00872 0.01163 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 121 {595.h6} 5.70068 0.01768 0.02357 ++ {0.0} {} {596.h5} 7.96542 0.00537 0.00716 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 122 {582.h8} 4.35346 0.04445 0.05927 ++ {0.0} {} {582.h4'} 8.25899 0.01033 0.01377 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 123 {582.h8} 4.51275 0.01667 0.02223 ++ {0.0} {} {582.h5'} 8.25899 0.00517 0.00689 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 124 {585.h8} 4.08906 0.05557 0.07409 ++ {0.0} {} {585.h4'} 7.12777 0.01550 0.02066 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 125 {587.h1'} 4.40570 0.01948 0.02597 ++ {0.0} {} {587.h4'} 5.87723 0.00292 0.00390 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 126 {587.h1'} 4.12435 0.03525 0.04699 ++ {0.0} {} {587.h3'} 5.87723 0.00748 0.00997 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 127 {590.h8} 4.07786 0.04807 0.06410 ++ {0.0} {} {590.h2'} 7.87697 0.01048 0.01397 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 128 {590.h2'} 4.07786 0.03044 0.04059 ++ {0.0} {} {586.h1'} 5.71029 0.00595 0.00793 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 129 {590.h8} 4.75805 0.03434 0.04578 ++ {0.0} {} {590.h3'} 7.87584 0.00638 0.00851 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 130 {593.h1'} 4.46688 0.02807 0.03743 ++ {0.0} {} {593.h3'} 5.50068 0.01032 0.01377 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 131 {592.h8} 4.92867 0.04925 0.06567 ++ {0.0} {} {592.h1'} 7.99767 0.00916 0.01221 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 132 {593.h6} 4.38575 0.02910 0.03881 ++ {0.0} {} {592.h3'} 7.93163 0.00791 0.01054 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 133 {597.h6} 4.25147 0.04053 0.05405 ++ {0.0} {} {597.h2'} 7.69864 0.00700 0.00933 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 134 {591.h8} 8.35728 0.01362 0.02031 ++ {0.0} {} {591.h8} 8.35727 0.03139 0.05800 ++ {0.0} {} 0.0 316.0770 0 {} 0 0 0 135 {582.h8} 8.26157 0.01611 0.06046 ++ {0.0} {} {582.h8} 8.26090 0.02301 0.05331 ++ {0.0} {} 0.0 325.8650 0 {} 0 0 0 136 {591.h2} 8.12105 0.01473 0.06012 ++ {0.0} {} {591.h2} 8.11995 0.03114 0.05936 ++ {0.0} {} 0.0 258.4870 0 {} 0 0 0 137 {588.h8} 8.08801 0.02192 0.05629 ++ {0.0} {} {588.h8} 8.08748 0.02807 0.06070 ++ {0.0} {} 0.0 201.5790 0 {} 0 0 0 138 {588.h2} 8.03380 0.01983 0.05416 ++ {0.0} {} {588.h2} 8.03289 0.03320 0.06002 ++ {0.0} {} 0.0 382.8420 0 {} 0 0 0 139 {592.h8} 8.00026 0.01563 0.05456 ++ {0.0} {} {} 7.99979 0.03256 0.05936 ++ {0.0} {} 0.0 314.2650 0 {} 0 0 0 140 {595.h6} 7.96780 0.03116 0.05294 ++ {0.0} {} {595.h6} 7.96623 0.03518 0.06157 ++ {0.0} {} 0.0 115.9710 0 {} 0 0 0 141 {593.h6} 7.93302 0.02966 0.05716 ++ {0.0} {} {593.h6} 7.93194 0.03399 0.06142 ++ {0.0} {} 0.0 260.8470 0 {} 0 0 0 142 {594.h6} 7.93302 0.02966 0.05716 ++ {0.0} {} {594.h6} 7.93194 0.03399 0.06142 ++ {0.0} {} 0.0 260.8470 0 {} 0 0 0 143 {596.h6} 7.91761 0.02798 0.06158 ++ {0.0} {} {596.h6} 7.91375 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0 144 {587.h2} 7.87828 0.02798 0.06158 ++ {0.0} {} {587.h2} 7.88025 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0 145 {590.h8} 7.86789 0.02798 0.06158 ++ {0.0} {} {590.h8} 7.86718 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0 146 {584.h8} 7.82866 0.02798 0.06158 ++ {0.0} {} {584.h8} 7.83187 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0 147 {597.h6} 7.69805 0.02281 0.05428 ++ {0.0} {} {597.h6} 7.69767 0.02364 0.05201 ++ {0.0} {} 0.0 130.6500 0 {} 0 0 0 148 {583.h8} 7.65978 0.01613 0.04862 ++ {0.0} {} {583.h8} 7.65879 0.03061 0.05795 ++ {0.0} {} 0.0 158.3380 0 {} 0 0 0 149 {589.h8} 7.62298 0.01684 0.05086 ++ {0.0} {} {589.h8} 7.62292 0.03286 0.05785 ++ {0.0} {} 0.0 163.7960 0 {} 0 0 0 150 {584.h2} 7.50901 0.01519 0.04906 ++ {0.0} {} {584.h2} 7.50857 0.02328 0.04991 ++ {0.0} {} 0.0 116.6180 0 {} 0 0 0 151 {586.h8} 7.18152 0.01813 0.04979 ++ {0.0} {} {586.h8} 7.18063 0.02990 0.05752 ++ {0.0} {} 0.0 104.0220 0 {} 0 0 0 152 {585.h8} 7.13056 0.01845 0.05290 ++ {0.0} {} {585.h8} 7.13036 0.02719 0.05604 ++ {0.0} {} 0.0 106.3560 0 {} 0 0 0 153 {591.h1'} 6.01049 0.02132 0.05402 ++ {0.0} {} {591.h1'} 6.00801 0.02435 0.05555 ++ {0.0} {} 0.0 276.0030 0 {} 0 0 0 154 {584.h1'} 6.01682 0.02132 0.05402 ++ {0.0} {} {584.h1'} 6.01354 0.02435 0.05555 ++ {0.0} {} 0.0 276.0030 0 {} 0 0 0 155 {583.h1'} 5.94616 0.02320 0.05484 ++ {0.0} {} {583.h1'} 5.94214 0.02326 0.05411 ++ {0.0} {} 0.0 370.2050 0 {} 0 0 0 156 {592.h1'} 5.91001 0.02999 0.06140 ++ {0.0} {} {592.h1'} 5.90306 0.02617 0.05887 ++ {0.0} {} 0.0 360.7320 0 {} 0 0 0 157 {587.h1'} 5.87563 0.02245 0.05832 ++ {0.0} {} {587.h1'} 5.87600 0.02622 0.05882 ++ {0.0} {} 0.0 360.2900 0 {} 0 0 0 158 {582.h1'} 5.85602 0.00818 0.00767 ++ {0.0} {} {582.h1'} 5.86424 0.01542 0.01405 ++ {0.0} {} 0.0 0.6687 0 {} 0 0 0 159 {597.h1'} 5.72954 0.00818 0.00767 ++ {0.0} {} {597.h1'} 5.73368 0.01542 0.01405 ++ {0.0} {} 0.0 0.6687 0 {} 0 0 0 160 {586.h1'} 5.72894 0.02677 0.05875 ++ {0.0} {} {586.h1'} 5.72249 0.02452 0.05647 ++ {0.0} {} 0.0 462.6820 0 {} 0 0 0 161 {590.h1'} 5.72286 0.01729 0.05814 ++ {0.0} {} {590.h1'} 5.71443 0.02739 0.05888 ++ {0.0} {} 0.0 234.1920 0 {} 0 0 0 162 {588.h1'} 5.67541 0.02534 0.05776 ++ {0.0} {} {588.h1'} 5.67527 0.03408 0.06100 ++ {0.0} {} 0.0 359.1740 0 {} 0 0 0 163 {585.h1'} 5.63988 0.01729 0.05685 ++ {0.0} {} {585.h1'} 5.64067 0.03305 0.06012 ++ {0.0} {} 0.0 223.6820 0 {} 0 0 0 164 {596.h1'} 5.59216 0.01729 0.05814 ++ {0.0} {} {596.h1'} 5.59179 0.02739 0.05888 ++ {0.0} {} 0.0 234.1920 0 {} 0 0 0 165 {595.h1'} 5.55249 0.02198 0.05794 ++ {0.0} {} {595.h1'} 5.55263 0.02912 0.05969 ++ {0.0} {} 0.0 244.6510 0 {} 0 0 0 166 {594.h1'} 5.50422 0.02063 0.05662 ++ {0.0} {} {594.h1'} 5.50489 0.03089 0.05895 ++ {0.0} {} 0.0 258.9090 0 {} 0 0 0 167 {593.h1'} 5.50422 0.02063 0.05662 ++ {0.0} {} {593.h1'} 5.50489 0.03089 0.05895 ++ {0.0} {} 0.0 258.9090 0 {} 0 0 0 168 {589.h1'} 5.44714 0.02165 0.06676 ++ {0.0} {} {589.h1'} 5.44921 0.02723 0.05936 ++ {0.0} {} 0.0 264.3960 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 . . 7002.80078125 Hz . . . 4.706 . . 30817 1 2 . . H 1 H . . 7002.80078125 Hz . . . 4.706 . . 30817 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 30817 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name 2D_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 ; label dataset sw sf 1Hx 1Hy SL-hnRNP_new_278K_H2O-lbres.nv 15000.0 15000.0 700.132995605 700.132995605 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 flag8 flag9 0 {584.h2} 7.37445 0.03405 0.23384 ++ {0.0} {} {595.h3} 13.96583 0.12145 0.17350 ++ {0.0} {} 0.0 187.1850 0 {} 0 0 0 1 {584.h2} 7.37419 0.03194 0.08804 ++ {0.0} {} {585.h1} 12.39916 0.08425 0.16021 ++ {0.0} {} 0.0 14.2617 0 {} 0 0 0 2 {584.h2} 7.37383 0.02779 0.03829 ++ {0.0} {} {583.h1} 12.78593 0.12247 0.15508 ++ {0.0} {} 0.0 6.9125 0 {} 0 0 0 3 {597.h41} 8.39694 0.06014 0.04498 ++ {0.0} {} {582.h1} 12.45578 0.13402 0.12244 ++ {0.0} {} 0.0 4.0154 0 {} 0 0 0 4 {596.h41} 8.42683 0.10069 0.14384 ++ {0.0} {} {583.h1} 12.78078 0.10765 0.15378 ++ {0.0} {} 0.0 74.4365 0 {} 0 0 0 5 {597.h42} 6.96006 0.06982 0.18900 ++ {0.0} {} {582.h1} 12.47583 0.10282 0.14688 ++ {0.0} {} 0.0 33.3170 0 {} 0 0 0 6 {594.h41} 8.28551 0.07337 0.11718 ++ {0.0} {} {585.h1} 12.40432 0.11773 0.32220 ++ {0.0} {} 0.0 55.1684 0 {} 0 0 0 7 {596.h42} 6.93943 0.05959 0.21632 ++ {0.0} {} {583.h1} 12.78040 0.12075 0.22556 ++ {0.0} {} 0.0 33.0183 0 {} 0 0 0 8 {594.h41} 7.01706 0.07333 0.25210 ++ {0.0} {} {585.h1} 12.42318 0.13440 0.19201 ++ {0.0} {} 0.0 35.9515 0 {} 0 0 0 9 {593.h41} 8.33075 0.10442 0.24813 ++ {0.0} {} {586.h1} 12.77425 0.15115 0.21593 ++ {0.0} {} 0.0 16.4583 0 {} 0 0 0 10 {593.h42} 7.01060 0.09419 0.15624 ++ {0.0} {} {586.h1} 12.77940 0.16110 0.23015 ++ {0.0} {} 0.0 10.3080 0 {} 0 0 0 11 {583.h1} 12.77960 0.04792 0.09379 ++ {0.0} {} {595.h3} 13.96354 0.12149 0.19425 ++ {0.0} {} 0.0 12.0460 0 {} 0 0 0 12 {585.h1} 12.40380 0.04537 0.04818 ++ {0.0} {} {595.h3} 13.96961 0.08041 0.08527 ++ {0.0} {} 0.0 4.8702 0 {} 0 0 0 13 {582.h1} 12.46246 0.06600 0.09428 ++ {0.0} {} {583.h1} 12.76988 0.13091 0.18701 ++ {0.0} {} 0.0 200.7870 0 {} 0 0 0 14 {585.h1} 12.22178 0.07884 0.11263 ++ {0.0} {} {586.h1} 12.45127 0.11404 0.16291 ++ {0.0} {} 0.0 97.4123 0 {} 0 0 0 15 {} 12.09121 0.06370 0.09504 ++ {0.0} {} {} 12.08926 0.09491 0.13558 ++ {0.0} {} 0.0 54.6150 0 {} 0 0 0 16 {587.h61} 10.09474 0.04232 0.07819 ++ {0.0} {} {592.h1} 11.58381 0.09385 0.16371 ++ {0.0} {} 0.0 6.9951 0 {} 0 0 0 17 {593.h41} 8.32613 0.05602 0.09610 ++ {0.0} {} {592.h1} 11.55757 0.08897 0.14274 ++ {0.0} {} 0.0 6.1541 0 {} 0 0 0 18 {587.h61} 10.10879 0.08149 0.21083 ++ {0.0} {} {587.h62} 10.31929 0.16110 0.23015 ++ {0.0} {} 0.0 10.3062 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 . . 7002.80078125 Hz . . . 4.706 . . 30817 2 2 . . H 1 H . . 7002.80078125 Hz . . . 4.706 . . 30817 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30817 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _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 1H-13C_HMQC _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 ; label dataset sw sf 1H 13C 7002.80078125 7002.80078125 700.132995605 176.067001343 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9 0 {595.h5} 5.53189 0.05990 0.07987 ++ {0.0} {} {595.c5} 100.27180 0.58896 0.78528 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 1 {583.h1'} 6.01119 0.07987 0.04040 ++ {0.0} {} {583.c1'} 129.83315 0.35338 0.35022 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 2 {582.h8} 8.35385 0.09731 0.12974 ++ {0.0} {} {582.c8} 136.33643 1.17930 1.57240 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 3 {583.h8} 7.70783 0.06127 0.09619 ++ {0.0} {} {583.c8} 133.94572 0.53911 0.38632 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 4 {593.h6} 8.02205 0.03964 0.05286 ++ {0.0} {} {593.c6} 158.55458 1.58363 2.11150 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 5 {595.h6} 8.06035 0.04325 0.05766 ++ {0.0} {} {595.h5} 159.19711 1.24668 1.66225 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 6 {582.h1'} 5.94839 0.06534 0.08712 ++ {0.0} {} {582.c1'} 129.29027 0.76592 0.84854 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 7 {597.h6} 7.77253 0.04386 0.05848 ++ {0.0} {} {597.c6} 158.52347 0.87876 1.17169 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 8 {589.h8} 7.63753 0.09431 0.11697 ++ {0.0} {} {589.c8} 137.26811 1.08472 0.89708 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 9 {584.h2} 7.58059 0.10789 0.12726 ++ {0.0} {} {584.c2} 130.26685 1.11385 0.84292 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 10 {586.h8} 7.25774 0.06332 0.08442 ++ {0.0} {} {586.c8} 133.19904 0.84291 1.12388 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 11 {587.h8} 7.92551 0.03865 0.05153 ++ {0.0} {} {587.c8} 157.63974 0.70439 0.93918 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 12 {585.h8} 7.19425 0.04251 0.05669 ++ {0.0} {} {585.c8} 132.23883 0.85532 1.14043 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 13 {588.h8} 8.13418 0.10435 0.11456 ++ {0.0} {} {588.c8} 158.00153 1.00626 0.70675 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 14 {593.h5} 5.98391 0.05797 0.07730 ++ {0.0} {} {593.c5} 135.23415 0.70439 0.93918 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 15 {596.h5} 5.77847 0.07730 0.10307 ++ {0.0} {} {596.c5} 134.18939 0.65407 0.87210 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 16 {594.h5} 5.68295 0.05024 0.06699 ++ {0.0} {} {594.c5} 134.40057 0.80501 1.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 17 {597.h5} 5.62210 0.05024 0.06699 ++ {0.0} {} {597.c5} 134.94496 0.70439 0.93918 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 18 {589.h1'} 5.46171 0.05411 0.07215 ++ {0.0} {} {589.c1'} 106.88433 0.70439 0.93918 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 19 {585.h1'} 5.73084 0.05363 0.07151 ++ {0.0} {} {585.c1'} 129.40004 0.73262 0.97682 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 20 {596.h1'} 5.68359 0.03432 0.04576 ++ {0.0} {} {596.c1'} 131.09735 0.39961 0.53281 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 21 {595.h1'} 5.62647 0.02198 0.02930 ++ {0.0} {} {595.c1'} 130.67218 0.31393 0.41857 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 22 {587.h1'} 5.94672 0.03022 0.04176 ++ {0.0} {} {587.c1'} 127.69469 0.53367 0.61305 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 23 {586.h1'} 5.80629 0.04258 0.05677 ++ {0.0} {} {586.c1'} 129.79266 0.59646 0.79528 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 24 {591.h8} 8.44725 0.04460 0.05946 ++ {0.0} {} {591.c8} 158.82404 0.70962 0.94615 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 25 {584.h8} 7.89719 0.04179 0.05573 ++ {0.0} {} {584.c8} 136.06732 1.04894 0.60230 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 26 {592.h8} 8.04769 0.03575 0.04767 ++ {0.0} {} {592.h8} 137.14696 0.45606 0.60808 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 27 {590.h1'} 5.81950 0.04675 0.06233 ++ {0.0} {} {590.c1'} 106.71333 0.50418 0.69702 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 28 {597.h1'} 5.81610 0.04529 0.06038 ++ {0.0} {} {597.c1'} 107.35155 0.52475 0.69967 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 29 {594.h1'} 5.58785 0.05309 0.07079 ++ {0.0} {} {594.c1'} 131.49277 0.56511 0.75349 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 30 {590.h8} 7.97194 0.05348 0.07131 ++ {0.0} {} {590.c8} 136.86165 0.56688 0.75584 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 31 {588.h1'} 5.75368 0.04151 0.05535 ++ {0.0} {} {588.c1'} 107.35074 0.64498 0.85997 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 32 {592.h1'} 5.99171 0.07051 0.09401 ++ {0.0} {} {592.c1'} 127.55688 0.52405 0.69873 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 33 {593.h1'} 5.79267 0.03585 0.03742 ++ {0.0} {} {593.c1'} 107.48755 0.52405 0.70052 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 34 {584.h1'} 6.11773 0.06038 0.08050 ++ {0.0} {} {584.c1'} 129.78392 0.50389 0.67185 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 35 {591.h1'} 6.10225 0.04551 0.06069 ++ {0.0} {} {591.c1'} 127.81575 0.59259 0.79012 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0 36 {591.h2} 8.19932 0.02949 0.13083 ++ {0.0} {} {591.c2} 130.83217 0.44931 0.72745 ++ {0.0} {} 0.0 25.7613 0 {} 0 0 0 37 {594.h6} 8.02049 0.04137 0.05909 ++ {0.0} {} {594.c6} 158.63420 0.44191 0.80167 ++ {0.0} {} 0.0 -15.5094 0 {} 0 0 0 38 {596.h6} 8.00495 0.04137 0.05909 ++ {0.0} {} {596.c6} 159.15523 0.44191 0.80167 ++ {0.0} {} 0.0 -15.5094 0 {} 0 0 0 39 {587.h2} 7.94728 0.04985 0.06904 ++ {0.0} {} {587.c2} 128.87648 0.66945 0.89099 ++ {0.0} {} 0.0 4.3133 0 {} 0 0 0 40 {588.h2} 8.10927 0.03987 0.17451 ++ {0.0} {} {588.c2} 130.37907 0.51507 0.73582 ++ {0.0} {} 0.0 15.9062 0 {} 0 0 0 41 {593.h1'} 5.57585 0.03158 0.05941 ++ {0.0} {} {593.c1'} 131.00389 0.38799 0.67029 ++ {0.0} {} 0.0 -27.5066 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 C . . 7002.80078125 Hz . . . 4.706 . . 30817 3 2 . . C 13 C . . 7002.80078125 Hz . . . 4.706 . . 30817 3 stop_ save_