######################### # 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 34400 _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 1 _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 ; Assignment w1 w2 Volume Data Height R15HG%-W11HD1 1.064 6.844 9272712 R15HG%-W11HE3 1.071 7.342 7430864 R15HG%-W14HE1 1.072 10.009 3456407 R15HG%-HD% 1.073 2.659 73141056 R15HG%-HE 1.074 7.115 26788904 R15HG%-? 1.074 7.015 3850347 R15HG%-HN 1.076 7.723 38513624 R15HG%-HA 1.076 3.628 28698842 R15HG%-? 1.081 6.812 13488968 R2HG%-HE 1.235 7.238 5821605 R2HG%-HA 1.250 3.999 38487136 R2HG%-HN 1.255 8.489 6.02e+08 ga 35240188 ?-? 1.257 2.197 6.29e+08 ga 40184320 ?-W3HD1 1.258 7.071 28610812 R4HG%-HA 1.263 3.763 4.10e+08 ga 45613348 ?-? 1.263 2.946 104622648 R2HG%-W3HN 1.267 7.627 3.31e+08 ga 14907696 ?-? 1.267 2.873 28334910 ?-? 1.269 6.850 8839732 ?-? 1.269 6.626 8443101 ?-? 1.270 3.927 9661189 ?-? 1.274 10.477 10497185 ?-? 1.275 2.969 60183120 ?-? 1.276 7.549 33026428 R4HG%-HE 1.276 7.437 2.64e+08 ga 11416017 R15HB1-HD% 1.285 2.658 15590032 R4HG%-HN 1.286 7.759 20714762 ?-? 1.286 3.024 40144048 ?-? 1.287 7.338 13509697 ?-R1HN 1.288 8.399 7580130 R15HB1-HN 1.289 7.724 54881692 R15HB1-HA 1.293 3.629 33232890 R15HB1-HE 1.296 7.112 5843821 R9HG%-HA 1.299 3.827 18054288 ?-? 1.301 7.818 9868184 ?-? 1.309 2.923 67922136 ?-W3HD1 1.354 7.068 16409071 ?-? 1.373 2.194 1.38e+09 ga 55202368 R8HG%-HA 1.390 3.757 35424928 ?-? 1.392 2.840 33182828 ?-W7HD1 1.400 7.039 11688822 ?-? 1.401 7.424 6.81e+07 ga 4661778 R13HG%-HE 1.405 7.241 8642803 ?-R1HN 1.406 8.398 10896514 R13HG%-HN 1.419 7.357 27711124 ?-? 1.419 7.157 4088048 R15HB2-HA 1.422 3.626 50735336 R15HB2-HD% 1.423 2.658 17804458 ?-? 1.423 7.823 22593514 R15HB2-HN 1.424 7.722 32623052 R13HG%-HA 1.425 3.900 62484232 R15HB2-HE 1.439 7.110 11182969 R12HG%-HA 1.446 3.651 25104362 ?-? 1.448 6.845 16209763 ?-? 1.451 7.502 4942485 R5HG%-HN 1.463 7.825 20956516 ?-? 1.464 3.011 144459568 ?-? 1.471 2.926 55073312 R16HG%-HA 1.480 3.971 25190346 ?-? 1.483 3.036 92378120 R9HB1-HA 1.490 3.826 18980566 ?-? 1.491 10.260 5902057 ?-? 1.494 7.548 41602372 R1HG%-HN 1.500 8.399 27407394 R16HG%-HN 1.504 7.529 14537455 ?-? 1.514 7.160 8668984 R2HB2-HN 1.534 8.488 47050912 ?-? 1.540 3.999 62726404 R4HB1-HE 1.544 7.428 1.28e+08 ga 7973940 ?-W7HD1 1.549 7.040 14270733 ?-? 1.559 6.845 14812297 R4HB1-HA 1.561 3.760 1.22e+09 ga 75984928 R12HB1-HA 1.563 3.645 12054497 R4HB1-HN 1.563 7.760 37885912 R2HB%-W3HN 1.565 7.626 5.94e+08 ga 22067414 ?-? 1.565 1.250 42512816 ?-? 1.567 3.038 141148608 ?-? 1.568 7.501 8160344 ?-? 1.575 7.819 33926720 ?-? 1.579 1.237 40528292 ?-W3HD1 1.583 7.070 24082488 ?-? 1.584 10.477 13827482 ?-? 1.585 3.928 130896520 ?-? 1.587 3.997 64490968 ?-? 1.589 2.955 46981996 R2HB1-HN 1.602 8.488 62771656 R1HB%-HN 1.602 8.401 97923392 ?-? 1.622 10.259 6067863 R16HB%-HN 1.654 7.529 39995264 R16HB%-HA 1.663 3.973 49573252 ?-? 1.676 2.835 6.59e+08 ga 22514852 ?-? 1.677 7.201 7324088 R5HB%-W6HN 1.679 7.700 8.99e+08 ga 38480388 R5HB%-HN 1.681 7.822 115684160 ?-? 1.682 2.921 50698316 R13HB%-HE 1.682 7.239 6874146 R13HB%-W10HA 1.683 4.121 11709303 ?-? 1.684 6.804 6114577 R13HB%-HN 1.687 7.357 115386728 R9HB2-HN 1.691 7.547 109025576 R13HB%-HA 1.691 3.900 180872544 ?-? 1.691 7.157 15105559 ?-W7HD1 1.692 7.040 11683841 ?-? 1.693 3.014 120159816 R9HB2-HA 1.696 3.826 65019120 ?-? 1.697 6.845 12594640 R12HB%-HA 1.698 3.649 49209440 ?-? 1.698 1.251 26575482 ?-? 1.698 3.032 92003336 ?-? 1.698 6.619 8635628 R4HB2-HA 1.701 3.758 3.02e+09 ga 137695696 ?-? 1.702 1.288 54996772 ?-? 1.704 7.800 92644808 R12HB%-HN 1.708 7.500 34811812 R4HB2-HN 1.713 7.762 25915216 R4HB2-HE 1.714 7.429 2.01e+08 ga 8276064 ?-? 2.087 7.553 58143704 ?-? 2.104 6.521 -2727 ?-W3HE1 2.186 10.478 3917653 ?-? 2.191 1.372 34604416 ?-W3HN 2.192 7.629 3523577 ?-R1HA 2.193 3.927 11039789 ?-? 2.195 1.278 26373086 ?-W3HD1 2.199 7.070 2.38e+08 ga 15853770 ?-? 2.199 1.251 23335294 ?-R1HN 2.200 8.399 137014368 ?-R2HN 2.200 8.489 1.25e+08 ga 7298365 ?-? 2.208 1.404 30759928 R15HD%-? 2.654 7.017 9912056 W14HB1-HE1 2.655 10.006 3721353 W14HB1-HE3 2.661 7.125 41370064 R15HD%-HA 2.661 3.628 27585054 ?-? 2.662 1.070 64067560 R15HD%-HN 2.665 7.723 22380198 R15HD%-HE 2.665 7.107 22807434 W14HB1-HA 2.667 4.151 22429924 W14HB1-? 2.667 6.614 12804897 W14HB1-HN 2.669 7.832 7.76e+08 ga 34820120 ?-? 2.670 7.349 19978148 ?-? 2.670 2.894 97412120 W14HB1-HD1 2.673 6.813 33037806 ?-? 2.678 6.841 16248124 W11HB1-R12HN 2.764 7.498 7000520 W11HB1-HA 2.769 4.066 8.76e+08 ga 36870300 W11HB1-HD1 2.770 6.844 30353662 W11HB1-HE3 2.770 7.355 30525528 W11HB1-R8HA 2.775 3.755 14547622 W11HB1-HN 2.780 8.314 4.75e+08 ga 15371869 ?-W7HD1 2.789 7.040 4491722 ?-? 2.797 7.423 6437473 W10HB1-HN 2.817 7.804 6.88e+08 ga 37102080 W10HB1-? 2.821 6.784 8319751 W10HB1-HE3 2.829 7.197 28491700 W10HB1-HD1 2.832 6.621 23971850 W10HB1-HA 2.838 4.120 31135516 ?-? 2.853 1.418 25704350 R13HD%-HN 2.859 7.355 20411934 R13HD%-HE 2.860 7.242 16607328 W14HB2-HE3 2.886 7.129 34129972 W14HB2-HN 2.895 7.830 9.07e+08 ga 37673364 W14HB2-HD1 2.899 6.812 27897602 W14HB2-R15HN 2.903 7.723 29577960 W14HB2-HE1 2.904 10.013 4123126 ?-? 2.905 1.356 34441304 W14HB2-HA 2.908 4.148 25701736 ?-? 2.912 7.551 39794400 ?-? 2.923 1.719 29961674 ?-? 2.932 10.478 7776810 W11HB2-HE3 2.934 7.350 41118808 W11HB2-HA 2.934 4.066 1.39e+09 ga 44953836 R9HD%-HA 2.937 3.828 12213388 W11HB2-HD1 2.941 6.843 50936596 R2HD%-HA 2.944 4.000 23945944 R2HD%-HE 2.945 7.233 31016212 ?-? 2.947 2.770 76562840 ?-? 2.949 1.275 81285840 W11HB2-HN 2.956 8.314 4.99e+08 ga 15922146 ?-? 2.957 1.647 34272360 ?-? 2.964 1.503 55054052 ?-? 2.964 3.900 35184944 ?-? 2.971 1.249 65694248 R2HD%-HN 2.973 8.488 6378372 R12HD%-HN 2.975 7.502 9487753 W10HB2-? 2.977 6.789 17525914 W10HB2-HD1 2.981 6.620 22900206 W10HB2-HA 2.981 4.117 36248936 W10HB2-HE3 2.982 7.197 36926100 ?-? 2.985 10.260 6650170 R16HD%-HA 2.985 3.973 20064956 ?-? 2.986 6.746 4080095 W10HB2-HN 2.997 7.807 1.07e+09 ga 43846296 R4HD%-HA 2.998 3.760 47360436 ?-? 3.005 1.400 73944704 ?-W7HD1 3.005 7.041 9384173 ?-? 3.005 6.939 8754110 R16HD%-HE 3.005 7.127 13007676 R5HD%-? 3.005 7.702 5623128 ?-? 3.006 9.632 2678201 R4HD%-HE 3.006 7.444 25571724 ?-? 3.010 7.420 22325186 ?-? 3.013 1.697 96956968 ?-? 3.015 1.479 100146272 R16HD%-HN 3.022 7.529 4776104 R1HD%-HN 3.034 8.399 7504801 ?-? 3.034 1.573 107015472 ?-? 3.035 10.477 8429331 ?-? 3.039 7.742 3400796 R12HD%-HA 3.039 3.644 9072058 R1HD%-HE 3.039 7.376 12736241 W3HB%-HE1 3.251 10.476 7368102 W3HB%-HD1 3.251 7.071 9.66e+08 ga 65931624 W3HB%-R2HN 3.251 8.490 3103283 W3HB%-HN 3.253 7.627 1.28e+09 ga 77873752 W3HB%-R4HN 3.257 7.761 21432822 W3HB%-HE3 3.261 7.336 155706064 W7HB1-HA 3.261 4.235 18753102 W7HB1-HE1 3.266 9.633 3381799 W6HB%-W7HN 3.269 8.103 7.41e+08 ga 35626376 W6HB%-HE1 3.271 10.259 7161230 W7HB1-R4HA 3.274 3.761 29211656 W7HB1-HE3 3.275 7.421 4.75e+08 ga 30287480 W7HB1-HD1 3.276 7.041 5.96e+08 ga 46642872 W6HB%-HD1 3.276 7.157 1.04e+09 ga 71401720 W6HB%-HN 3.277 7.699 105661320 ?-? 3.278 7.823 12629522 ?-? 3.278 6.632 10712350 W6HB%-HE3 3.281 7.336 163666880 W7HB1-HN 3.281 8.099 35500796 W7HB1-R8HN 3.281 7.801 21160482 W6HB%-HA 3.284 4.254 26798206 ?-? 3.291 6.786 9943982 W7HB2-R4HA 3.322 3.758 23236888 W7HB2-HA 3.349 4.237 16661228 W7HB2-HN 3.363 8.103 7.02e+08 ga 22586294 W7HB2-R8HN 3.370 7.800 13053311 W7HB2-HD1 3.377 7.041 4.77e+08 ga 30362030 W7HB2-HE3 3.379 7.421 5.82e+08 ga 33641412 ?-? 3.380 7.335 22249194 R15HA-R16HN 3.628 7.537 29155868 R15HA-HN 3.631 7.723 50324652 R15HA-HD% 3.631 2.658 28236726 ?-? 3.631 1.290 31286790 R15HA-HE 3.632 7.122 10774504 ?-? 3.633 1.071 31752712 ?-? 3.635 1.417 41300792 ?-? 3.649 7.355 20665970 ?-? 3.650 1.697 47273648 ?-? 3.655 6.843 13390220 R12HA-HN 3.656 7.500 13304882 ?-? 3.757 2.771 8937852 R4HA-HN 3.758 7.762 21790774 ?-? 3.758 1.408 18398838 ?-W7HE1 3.759 9.635 3571277 R4HA-W7HB2 3.759 3.285 14940100 ?-W7HD1 3.761 7.041 5.58e+08 ga 39876096 R4HA-W7HB2 3.762 3.377 11753776 ?-W7HE3 3.762 7.422 2.73e+08 ga 14575342 R8HA-W11HN 3.765 8.309 6.24e+07 ga 3034621 R4HA-R5HN 3.765 7.823 30163596 ?-? 3.765 1.251 16541772 R4HA-W7HN 3.766 8.105 1.38e+08 ga 5190818 ?-? 3.766 1.560 32177746 ?-? 3.767 7.337 18372712 ?-? 3.768 6.843 15263131 R8HA-HN 3.770 7.807 36894512 ?-? 3.775 1.664 30938780 ?-? 3.776 1.708 69670088 ?-? 3.790 1.293 21107650 R9HA-HN 3.829 7.554 35554320 ?-? 3.894 1.651 75629608 ?-? 3.896 1.704 88275232 R5HA-W6HN 3.901 7.700 3.67e+08 ga 17948246 ?-? 3.901 1.404 27011496 ?-? 3.901 2.838 11205786 ?-? 3.903 1.374 22630832 R5HA-HN 3.904 7.823 44752988 R13HA-HN 3.918 7.359 38216676 R1HA-HN 3.931 8.399 5.82e+08 ga 50442356 R1HA%-? 3.934 2.196 2.02e+08 ga 8574915 R1HA-R2HN 3.938 8.490 54427764 R1HA-W3HE1 3.938 10.479 4006068 ?-? 3.940 1.581 89312104 R1HA-R4HN 3.942 7.757 7026890 ?-? 3.952 1.688 52701604 ?-? 3.953 1.496 54474304 ?-? 3.962 1.594 89903016 R16HA-HN 3.966 7.539 31672122 ?-? 3.967 6.971 8989177 ?-? 3.972 7.107 9876891 ?-? 3.978 1.507 51014924 ?-W3HD1 3.979 7.071 7572786 ?-? 3.991 1.268 18733998 R2HA-W3HN 3.995 7.627 6.23e+08 ga 32398716 R2HA-HN 4.000 8.490 37184736 W11HA-HD1 4.070 6.846 18321642 W11HA-R12HN 4.071 7.500 6894814 ?-? 4.073 2.772 26800914 W11HA-HE3 4.075 7.355 65292072 W11HA-HN 4.079 8.313 2.50e+08 ga 8532818 W10HA-HE3 4.111 7.197 31733960 W10HA-HE1 4.115 9.366 1780113 ?-? 4.117 1.652 12837478 W10HA-HN 4.119 7.805 27018252 ?-? 4.119 2.828 31085626 ?-? 4.120 1.705 16940848 W10HA-HD1 4.126 6.620 21391056 W14HA-HE1 4.127 10.012 3228913 W14HA-HB2 4.135 2.902 25249906 W14HA-HE3 4.144 7.128 25175320 W14HA-R15HN 4.148 7.723 32597540 W14HA-HB1 4.148 2.669 29724558 W14HA-HN 4.153 7.832 29367462 W14HA-HD1 4.153 6.816 40150884 ?-W10HE1 4.238 9.369 2235431 W6HA-W7HB2 4.238 3.376 29488218 W7HA-HD1 4.238 7.041 2.06e+08 ga 12644897 W7HA-HE3 4.239 7.421 39776188 ?-? 4.244 7.805 18916568 W7HA-HN 4.250 8.102 3.76e+08 ga 17158280 W6HA-HE3 4.256 7.339 39302888 W6HA-R9HN 4.257 7.549 12497389 W6HA-HB% 4.260 3.281 71624920 W6HA-HE1 4.262 10.259 4590718 W6HA-HD1 4.267 7.157 6.87e+08 ga 53084728 W6HA-HN 4.268 7.699 39011324 W3HA-HB% 4.440 3.251 66363564 W3HA-W6HN 4.442 7.699 1.87e+08 ga 10557126 W3HA-W6HE1 4.442 10.263 2868693 W3HA-HD1 4.443 7.071 5.03e+08 ga 39942928 W3HA-HN 4.444 7.626 5.12e+08 ga 27702004 W3HA-HE1 4.444 10.476 3842400 W3HA-HE3 4.445 7.337 48063440 W3HA-R4HN 4.447 7.759 2.26e+08 ga 10153212 ?-? 4.448 7.156 15099713 W10HD1-R15HD% 6.616 2.658 13769223 W10HD1-HN 6.625 7.807 1.78e+08 ga 8811958 W10HD1-HA 6.625 4.121 10451502 W10HD1-HE1 6.627 9.371 39654248 ?-? 6.627 2.920 16454846 ?-? 6.627 2.833 17694564 ?-? 6.628 3.000 13913893 ?-? 6.630 1.424 4332464 W6HZ3-HE1 6.635 10.260 4634632 ?-? 6.637 1.706 5901576 ?-? 6.638 1.643 4251614 ?-? 6.639 3.286 6125736 ?-? 6.643 3.262 4730982 W3HZ3-HE3 6.646 7.338 158530672 ?-? 6.653 1.629 4958573 W10HH2-HE1 6.732 9.370 4722208 ?-? 6.751 7.014 59126280 W10HZ3-HE3 6.778 7.177 100427904 W6HH2-HE1 6.778 10.261 3917873 W6HH2-HZ2 6.785 7.196 135844656 ?-? 6.790 3.253 3456979 W7HZ3-HE3 6.793 7.420 106215424 ?-? 6.793 3.285 4714533 ?-? 6.797 3.035 13044277 ?-? 6.798 3.377 3104572 W14HD1-R15HN 6.804 7.723 7624383 W14HD1-HA 6.811 4.150 11211094 W14HD1-HE1 6.812 10.009 83151320 W14HD1-HN 6.816 7.830 6486402 ?-? 6.818 1.702 4537168 W7HZ3-HZ2 6.819 6.934 194549456 ?-? 6.819 2.897 11597164 ?-? 6.827 2.940 19716606 W14HZ3-R15HA 6.828 3.628 6413904 W11HD1-HA 6.832 4.067 13243223 ?-? 6.835 3.757 10231632 ?-? 6.836 2.662 14921211 W11HD1-HN 6.838 8.319 2513551 W11HZ3-HE3 6.839 7.356 106903360 W14HZ3-HE3 6.839 7.129 70599752 ?-? 6.841 3.033 14283261 ?-? 6.841 2.772 12693971 ?-? 6.841 2.670 13263922 W11HZ3-R12HA 6.841 3.648 5822958 W11HD1-HE1 6.844 9.831 23785116 ?-? 6.846 7.014 88012864 ?-? 6.846 1.072 8525518 W3HH2-HE1 6.848 10.477 5225048 W3HH2-HZ2 6.853 7.295 127544744 ?-? 6.860 6.626 79825176 W14HH2-HZ2 6.921 7.269 77097568 W7HZ2-HE1 6.955 9.636 23191014 ?-? 6.978 3.970 10322853 W10HZ2-HE1 7.011 9.370 14609933 ?-? 7.018 6.748 58712584 W11HH2-HZ2 7.023 7.341 137557296 W7HD1-HE1 7.041 9.633 58674400 ?-? 7.041 3.760 24181544 W7HD1-HB2 7.046 3.376 12096271 ?-? 7.046 1.524 4880677 W7HD1-HN 7.047 8.103 1.08e+08 ga 4692278 ?-? 7.047 7.804 4990471 W7HD1-HB1 7.064 3.277 19665018 W3HD1-HE1 7.068 10.477 123264224 ?-? 7.070 2.194 1.41e+08 ga 6094904 W3HD1-HN 7.071 7.627 4.33e+08 ga 27623084 W3HD1-HD1 7.071 7.070 1642825344 W3HD1-HB% 7.071 3.252 27369512 ?-? 7.074 1.409 6778288 ?-? 7.075 1.264 7284621 ?-? 7.084 1.277 7678061 ?-? 7.090 1.597 8313803 ?-? 7.091 1.503 5214114 ?-? 7.098 7.537 10518074 ?-? 7.106 1.413 6551904 ?-? 7.112 3.970 16428903 R15HE-HD% 7.117 2.663 19868324 ?-? 7.119 1.070 12607370 W14HE3-R15HA 7.124 3.627 7077348 ?-? 7.125 6.971 434807072 W14HE3-HA 7.126 4.152 9994104 ?-? 7.132 1.685 5822696 ?-? 7.138 2.900 12693621 W6HD1-HN 7.153 7.705 2.75e+09 ga 13474417 W14HE3-W11HA 7.154 4.067 8840142 W6HD1-HE1 7.162 10.261 143518912 W6HD1-HA 7.163 4.273 5200912 W6HD1-HB% 7.163 3.279 20270418 W6HZ2-HE1 7.166 10.264 140469408 ?-? 7.170 4.249 6140204 ?-? 7.174 2.996 14996098 ?-? 7.178 1.705 5869288 ?-? 7.193 6.782 175533776 W10HE3-W11HA 7.195 4.066 8805734 W10HE3-HA 7.196 4.121 10736466 ?-? 7.196 1.650 4322966 ?-? 7.207 2.957 14028546 ?-? 7.208 1.427 4215532 ?-? 7.211 2.833 15862611 ?-? 7.219 2.935 15352606 W14HZ2-HE1 7.263 10.009 25804418 W14HZ2-HH2 7.265 6.928 84521344 W3HZ2-HE1 7.289 10.477 41772684 ?-? 7.297 6.854 167554624 ?-? 7.328 6.630 105068728 W11HZ2-HH2 7.333 7.016 128111280 W3HE3-HB% 7.334 3.249 40314604 ?-? 7.336 6.859 152553968 W11HZ2-HE1 7.338 9.830 9285733 W6HE3-HB% 7.338 3.267 46718256 ?-? 7.342 2.661 8883068 ?-? 7.343 8.101 5267147 W11HE3-HA 7.351 4.067 35483672 ?-R9HA 7.355 3.827 3749078 ?-? 7.358 2.929 16299864 ?-? 7.358 2.772 12345035 R13HN-HA 7.359 3.903 40921764 ?-? 7.361 1.650 33514374 ?-? 7.361 1.425 13901795 ?-? 7.361 1.360 9336169 ?-? 7.362 7.830 28702240 ?-? 7.362 1.569 8165370 ?-? 7.363 1.289 4321174 W11HE3-R12HA 7.364 3.644 11234593 ?-? 7.365 1.702 48755052 R13HN-W10HA 7.374 4.120 8038388 ?-? 7.382 3.762 6.90e+08 ga 15359472 ?-? 7.394 4.240 9342252 ?-? 7.397 3.034 14462423 W7HE3-HB1 7.404 3.289 20183876 W7HE3-HB2 7.408 3.376 14658819 ?-? 7.411 8.103 3973868 ?-? 7.411 6.794 108290464 ?-? 7.424 2.986 13408179 ?-? 7.443 3.028 14570559 R12HN-HA 7.500 3.656 15208678 ?-? 7.501 2.773 9370522 R12HN-W11HA 7.504 4.066 12686335 R12HN-W11HN 7.505 8.312 7604344 ?-? 7.520 7.113 10693166 R16HN-R15HA 7.523 3.628 29859492 ?-? 7.525 3.901 12802696 ?-? 7.527 1.074 5266046 ?-? 7.534 7.723 30966838 ?-? 7.534 1.660 28438246 ?-? 7.539 2.928 26623102 ?-? 7.540 1.472 17834486 ?-? 7.543 1.609 29104794 R16HN-HA 7.545 3.972 36081716 R9HN-HA 7.546 3.827 30755572 ?-? 7.548 1.710 48193320 ?-? 7.549 1.405 12547665 W3HN-R4HN 7.551 7.803 45198400 ?-? 7.551 1.359 4710330 ?-? 7.552 1.498 25845088 ?-? 7.554 2.874 17079818 ?-? 7.554 2.087 60542768 ?-? 7.554 1.287 18883354 R9HN-R8HA 7.560 3.759 3.99e+08 ga 19718338 ?-? 7.575 1.253 10802940 ?-? 7.601 2.199 9.57e+07 ga 3184726 W3HN-R4HN 7.619 7.762 17922516 W3HN-HE1 7.624 10.478 4111226 W3HN-R2HN 7.624 8.489 22283370 W3HN-R2HA 7.626 3.996 28483240 ?-? 7.629 1.508 10329670 W3HN-HD1 7.631 7.071 52305792 W3HN-HB% 7.639 3.251 48350588 W6HN-HB% 7.695 3.274 56615416 ?-? 7.697 7.155 17430908 W6HN-R5HN 7.701 7.823 34283268 W6HN-W7HN 7.702 8.099 2.54e+08 ga 15086500 W6HN-R5HA 7.714 3.897 22633918 R4HN-HA 7.714 3.759 30871490 R15HN-HA 7.720 3.629 31947080 W6HN-HA 7.721 4.256 7790858 ?-? 7.723 1.071 27292516 ?-? 7.724 1.705 31109636 R15HN-W14HA 7.728 4.151 14716869 R15HN-R12HA 7.729 3.650 12409595 ?-? 7.730 1.412 22290326 ?-? 7.730 1.292 33513698 ?-? 7.731 1.661 19204652 R15HN-W11HA 7.736 4.068 5203905 ?-? 7.737 2.897 17806422 R4HN-W3HB% 7.738 3.248 30558314 ?-? 7.744 2.668 14436984 ?-? 7.752 3.998 9917847 ?-? 7.758 1.249 11858592 ?-? 7.777 1.563 33728352 ?-? 7.786 1.404 19129308 R8HN-W7HN 7.789 8.103 5.47e+08 ga 13401936 ?-? 7.793 3.999 10391345 R8HN-HA 7.794 3.759 80211496 R4HN-W3HN 7.796 7.626 17013074 R8HN-W7HB2 7.796 3.375 13607073 R8HN-W7HB1 7.799 3.278 21349516 ?-? 7.800 6.621 14658954 R8HN-W7HA 7.803 4.237 8206236 ?-? 7.803 7.548 51260808 ?-? 7.804 2.991 33749404 W10HN-R9HA 7.806 3.826 11642056 W10HN-W11HN 7.808 8.312 9151236 ?-? 7.808 1.707 83242792 W10HN-HA 7.809 4.119 16182810 ?-? 7.809 1.494 16205454 ?-? 7.810 2.828 26688980 ?-? 7.813 1.660 54395368 ?-? 7.813 1.293 16449621 ?-? 7.813 7.038 15005356 W14HN-W11HA 7.820 4.066 7966948 ?-? 7.820 7.354 37681272 W14HN-HA 7.823 4.153 14249080 R5HN-HA 7.823 3.897 58962280 R5HN-W6HN 7.830 7.699 32911188 ?-? 7.830 3.903 52470388 W14HN-HB2 7.830 2.897 30667188 W14HN-HB1 7.830 2.671 28392972 R5HN-R4HA 7.844 3.758 29023572 ?-? 8.098 3.282 37349436 W7HN-HD1 8.099 7.039 17782552 ?-? 8.100 3.761 2.39e+08 ga 11069394 W7HN-W6HN 8.100 7.699 30332556 W7HN-HB2 8.101 3.377 24838446 W7HN-HA 8.101 4.240 6237694 ?-? 8.106 7.337 23249040 W7HN-R8HN 8.116 7.800 15467108 W11HN-HD1 8.303 6.844 6735475 W11HN-W10HA 8.309 4.122 3072432 ?-? 8.310 2.826 7481015 ?-? 8.310 7.199 11611956 W11HN-HA 8.313 4.067 16365480 ?-? 8.315 2.771 20801578 ?-? 8.316 3.757 1.88e+08 ga 8346118 ?-? 8.317 2.935 18910604 ?-W10HN 8.321 7.805 20167518 W11HN-R12HN 8.321 7.500 7133444 ?-? 8.324 7.356 6255778 R1HN-HN 8.398 8.398 802449408 R1HN-? 8.399 2.197 1.88e+09 ga 109068080 ?-? 8.399 1.619 28122814 ?-? 8.400 1.580 60842488 R1HN-HA 8.407 3.929 45468112 ?-? 8.410 1.492 18151404 ?-? 8.472 1.588 34321248 ?-? 8.474 1.239 11598045 R2HN-R1HA 8.480 3.929 46044004 R2HN-HA 8.486 3.999 31195642 ?-? 8.486 1.261 12100674 R2HN-W3HN 8.487 7.626 4.02e+08 ga 21180268 R2HN-HN 8.488 8.488 403235808 ?-? 8.488 1.511 18373504 W10HE1-HD1 9.370 6.621 9.48e+08 ga 58464540 W10HE1-HZ2 9.371 7.011 5.64e+08 ga 36047016 W10HE1-HE1 9.372 9.371 279514656 W7HE1-HE1 9.632 9.633 374821120 W7HE1-HZ2 9.634 6.941 6.37e+08 ga 45527344 W7HE1-HD1 9.635 7.041 1.32e+09 ga 103219280 W7HE1-? 9.644 3.762 4799440 W11HE1-HD1 9.825 6.843 1.59e+09 ga 89423056 W11HE1-HZ2 9.825 7.340 7.78e+08 ga 42229488 W11HE1-HE1 9.827 9.830 113959928 W14HE1-HE1 10.007 10.009 662767232 W14HE1-HD1 10.009 6.812 1.30e+09 ga 128095496 W14HE1-HZ2 10.009 7.266 6.20e+08 ga 49112064 W6HE1-HE1 10.259 10.261 792328128 W6HE1-HD1 10.261 7.157 1.52e+09 ga 161199440 W6HE1-HZ2 10.265 7.174 6.70e+08 ga 76458448 W3HE1-HE1 10.474 10.477 930975872 W3HE1-HD1 10.477 7.071 1.64e+09 ga 154475184 ?-? 10.477 1.575 3749828 W3HE1-HZ2 10.478 7.292 7.91e+08 ga 65020796 ; 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 2 . 11160.714 Hz . . . 4.73 . 2 34400 1 2 . . H 1 H 1 . 11160.714 Hz . . . 4.73 . 1 34400 1 stop_ save_