Content for NMR-STAR saveframe, "spectral_peak_list_2"
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 15338
_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 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 12
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
52.983 8.211 5.604 1008580
53.190 9.243 5.190 3197217
56.350 8.745 5.046 917215
57.616 2.685 5.163 2131710
58.384 7.675 5.001 1193116
64.174 8.765 3.755 1477480
64.123 1.820 3.757 803016
64.274 0.801 3.760 638882
61.470 1.266 4.563 601556
52.656 8.443 3.825 633840
45.562 7.262 2.928 1020008
45.562 7.267 3.701 882030
14.540 2.614 0.631 1090405
58.223 7.049 4.127 1326032
58.319 1.671 4.378 437590
58.524 2.834 4.380 702613
55.111 2.611 4.172 1009918
39.215 7.572 2.556 654985
43.343 7.107 3.310 2228280
25.872 1.320 0.439 4436860
25.765 2.571 0.438 1602708
23.826 2.640 0.540 792405
37.865 8.216 1.179 872902
54.484 8.208 4.458 6263698
55.239 7.226 4.628 840148
59.597 7.144 4.623 1893273
39.531 7.727 2.990 2653527
37.370 2.915 1.805 823570
65.012 8.395 3.820 532820
45.542 1.290 3.694 547615
44.862 9.245 1.308 535387
44.233 8.213 2.485 1232108
44.223 8.215 2.397 1215025
42.981 7.288 2.559 1327404
42.889 7.118 3.070 1662671
42.965 0.437 2.535 1325994
42.231 6.923 1.654 572098
42.194 7.271 1.660 392908
41.916 2.054 2.992 380593
42.180 0.675 1.540 471935
41.831 1.962 2.866 540304
41.776 0.804 2.814 662348
41.389 1.808 2.919 723959
41.338 0.230 2.906 633825
41.250 1.824 2.715 790040
39.195 7.568 2.679 692701
39.132 6.816 2.554 351053
34.606 7.045 2.471 886818
34.222 7.584 2.509 1322118
34.177 7.601 2.236 1195416
33.840 0.941 2.296 400374
34.149 7.602 2.111 801813
33.873 7.553 2.298 1454758
33.986 7.415 2.440 2157674
33.719 7.383 2.269 800897
32.301 7.666 2.982 3052968
31.866 9.244 1.821 871209
31.363 8.259 3.234 1756527
31.345 8.261 2.813 1821988
31.337 7.866 3.236 1632497
31.314 7.862 2.813 774867
31.330 7.726 3.237 1503176
31.353 7.726 2.812 1016397
31.359 0.803 3.239 1530314
31.358 3.233 2.812 6465064
31.360 2.811 3.239 6497300
29.743 2.925 2.341 870678
29.765 2.923 2.130 696585
29.779 2.642 2.327 457072
29.583 7.616 2.718 803983
28.850 7.968 1.593 657396
28.816 7.114 1.455 645678
28.856 7.103 1.589 514393
28.966 7.230 3.186 1055075
24.771 8.939 0.938 863187
24.676 6.921 0.924 2153020
21.634 3.846 0.520 366837
20.717 7.259 1.290 1154290
21.172 8.950 0.553 703691
21.206 8.386 0.784 1153300
32.097 1.345 2.794 1002511
27.047 0.817 1.754 1932658
24.655 1.491 0.809 4753884
43.000 0.452 2.568 1297158
43.000 7.303 2.522 1103767
21.492 8.192 0.524 1045841
24.929 3.228 0.805 890270
24.745 2.561 0.934 2447810
19.405 9.247 0.775 614827
57.876 2.657 5.171 2012951
55.711 6.920 4.616 823569
28.689 1.884 1.590 1915080
28.673 4.275 1.592 777987
28.759 3.308 1.590 1697152
33.918 6.913 2.292 564063
61.498 8.192 4.559 647006
53.064 8.907 5.600 494684
44.216 1.174 2.489 733483
44.144 1.203 2.401 981504
32.298 7.674 3.321 2622039
55.101 2.208 4.172 4443064
55.103 8.853 4.171 5530854
32.948 4.168 2.209 1770660
32.958 8.857 2.206 700929
56.021 8.846 4.452 1252527
55.861 1.924 4.453 2220044
55.892 2.021 4.453 2730556
55.806 8.593 4.456 8849439
30.365 8.849 1.904 1024357
30.264 8.849 2.027 848872
30.254 4.450 1.915 454853
30.399 4.452 2.021 430470
30.412 8.588 1.905 558837
30.363 8.592 2.038 708172
30.300 1.402 1.916 830014
30.265 1.395 2.029 790598
35.441 0.924 2.231 499319
35.533 0.927 2.311 523524
35.478 1.402 2.235 869315
35.363 1.400 2.311 655489
60.730 8.586 4.311 1425831
60.744 1.598 4.310 2449602
60.685 1.034 4.308 1530038
60.929 0.792 4.316 3381865
60.721 8.126 4.309 9537285
39.523 8.592 1.609 1718088
39.485 4.309 1.606 1014811
39.526 0.629 1.608 2957159
39.520 1.048 1.608 1297121
39.470 8.128 1.612 724515
39.538 1.194 1.611 760710
39.501 0.397 1.608 1610937
39.505 0.785 1.608 2576408
14.503 8.604 0.633 533266
14.496 1.034 0.632 4655809
14.508 1.553 0.632 6288991
14.515 1.216 0.633 1485562
26.627 8.594 1.040 1057779
26.721 8.571 1.531 1366506
26.646 4.309 1.042 688083
26.824 4.287 1.533 824269
26.682 0.634 1.040 4067888
26.675 0.632 1.535 4365741
26.686 1.037 1.536 13912608
26.672 1.534 1.040 13143132
26.696 0.787 1.041 2804097
18.293 8.586 0.784 923174
18.315 4.309 0.780 1939708
18.280 1.600 0.779 4024203
18.317 8.128 0.782 1640909
18.280 0.398 0.782 8771564
18.455 1.374 0.781 808367
59.675 8.132 4.537 1136917
59.658 3.613 4.539 1747547
59.626 0.919 4.538 3005286
59.604 8.700 4.537 4734994
59.624 4.305 4.538 2152070
59.584 0.395 4.544 650307
59.619 1.505 4.537 1530408
71.450 8.125 3.614 1202278
71.453 0.922 3.615 5999212
71.456 8.702 3.615 2399535
71.442 4.503 3.618 914738
21.667 8.126 0.920 1402773
21.673 3.615 0.921 4290694
21.741 8.704 0.918 1182817
21.688 4.300 0.920 1839984
21.709 8.467 0.924 457033
56.789 8.706 3.980 1055585
56.765 2.781 3.981 2213022
56.778 3.172 3.981 4669510
56.778 3.535 3.983 3299658
56.883 1.747 3.983 577105
56.763 0.396 3.981 2772548
56.760 0.806 3.983 2261534
56.828 1.509 3.986 434802
32.065 8.696 2.786 2241084
32.062 8.693 3.132 2570748
32.061 3.981 2.783 1154860
32.013 3.988 3.133 601473
32.054 7.568 3.137 1100966
31.982 0.404 2.793 673288
32.048 0.805 3.133 1172616
31.896 7.045 3.146 982600
63.935 2.194 4.263 7914672
63.956 3.176 4.264 659683
63.909 9.211 4.262 858515
63.894 1.761 4.270 2433505
32.093 4.260 2.194 2628522
31.853 9.240 1.947 989753
31.853 9.240 1.947 989753
32.077 4.265 1.913 2914829
50.494 3.982 3.185 2835920
50.490 3.983 3.535 2485340
50.454 2.190 3.185 803402
50.585 2.185 3.544 561499
50.494 3.181 3.536 7571484
50.494 3.536 3.184 7359117
50.494 1.747 3.184 3286509
50.494 1.750 3.536 2960003
50.503 0.815 3.184 734663
50.472 0.817 3.534 570889
50.465 7.263 3.183 480442
50.502 7.262 3.538 721274
50.504 0.386 3.185 2351367
50.490 0.386 3.534 1364536
27.097 3.182 1.753 2279173
27.124 3.534 1.750 2059315
27.116 9.210 1.748 748690
27.119 0.924 1.747 2190432
27.127 7.263 1.750 1174148
27.142 0.379 1.751 1331932
65.026 9.209 3.819 1648180
64.999 2.410 3.822 1814628
64.997 0.785 3.820 5614516
64.984 0.931 3.821 5825504
32.366 9.212 2.406 2898340
32.382 3.818 2.408 1253452
32.361 0.931 2.407 5135122
32.343 0.786 2.407 5760996
21.141 9.210 0.784 1118170
21.188 3.817 0.784 4864598
21.189 2.408 0.784 8099600
21.249 1.757 0.932 2097856
21.315 9.209 0.932 3218354
21.295 3.816 0.932 4571526
21.302 2.406 0.932 6439382
21.216 7.265 0.931 1349955
58.854 2.432 4.561 3909561
58.858 2.995 4.561 4066618
32.056 4.557 2.442 580442
32.003 4.556 2.996 511080
32.048 2.995 2.437 10932059
32.033 0.793 3.003 647729
32.313 8.370 2.409 2340422
32.040 1.095 2.438 810319
31.998 1.103 2.993 1089455
32.046 2.433 2.995 11532845
56.917 3.612 4.466 1514201
56.891 0.924 4.466 1327889
56.933 7.555 4.465 3803294
56.887 3.375 4.466 2397913
25.922 4.472 3.356 388976
25.902 4.464 3.461 549927
29.822 3.318 3.541 9973913
29.827 3.538 3.320 9605943
29.856 8.671 3.318 799615
29.851 8.673 3.540 1071354
29.820 8.791 3.321 1627887
29.787 8.781 3.540 956655
53.376 0.922 4.301 2621294
53.409 8.787 4.303 1879561
53.351 1.400 4.302 6979012
53.380 8.480 4.301 6787780
18.659 0.918 1.403 2365340
18.665 8.792 1.401 7343314
18.667 4.300 1.401 3960649
18.672 8.480 1.400 2121762
53.553 1.179 4.616 2605046
53.723 0.429 4.605 1656300
53.488 0.806 4.618 3784573
53.575 8.603 4.616 4894372
53.583 1.481 4.614 2690403
44.182 8.491 1.174 749640
44.117 8.482 1.447 1242237
44.200 1.460 1.173 7397420
44.200 0.400 1.175 2081324
44.200 0.401 1.450 2355330
44.186 0.805 1.173 1981044
43.969 0.803 1.450 1952142
44.123 8.591 1.169 972485
44.100 8.610 1.447 524354
44.178 1.176 1.451 7678328
26.303 3.981 0.399 1039541
26.377 2.794 0.399 585972
26.360 3.165 0.399 684883
26.459 8.481 0.400 870199
26.444 1.500 0.400 8247446
26.343 1.200 0.400 6254154
26.372 0.803 0.399 9318667
26.337 7.061 0.397 827344
24.342 3.986 0.808 1081062
24.513 2.801 0.808 6056995
24.358 3.141 0.809 1106534
24.511 4.653 0.807 434625
24.303 8.616 0.812 826090
24.337 7.271 0.808 1435167
24.364 7.062 0.807 791999
26.804 8.488 1.517 1546195
54.695 2.372 4.586 1471021
54.700 2.467 4.585 999447
54.684 2.109 4.586 4797674
54.693 9.007 4.586 7043863
30.292 8.601 2.110 2582246
30.301 4.581 2.110 562210
30.286 3.142 2.111 1514118
34.477 8.606 2.373 555208
34.174 8.601 2.461 565825
56.549 9.010 4.450 1079011
56.369 1.428 4.447 2063345
56.424 1.787 4.445 1601646
56.419 1.280 4.446 2795930
56.378 8.662 4.447 6558972
56.416 5.243 4.445 1613716
56.496 9.112 4.450 757454
56.383 2.557 4.449 566139
31.788 9.007 1.441 1107634
31.796 9.006 1.785 1618538
31.832 1.437 1.784 11232891
31.826 1.783 1.443 9337154
31.773 2.541 1.443 1029638
31.773 2.537 1.784 970307
42.960 0.634 2.565 507739
43.000 1.769 2.525 705507
42.969 1.784 2.565 804621
43.000 1.312 2.529 2834127
42.958 1.307 2.557 3002568
27.600 2.557 1.297 2547522
27.705 2.562 1.333 2575284
27.599 8.682 1.304 788482
27.689 8.670 1.332 747799
39.222 8.675 2.556 1129393
39.245 8.667 2.685 1063140
39.536 7.725 2.534 1408930
47.298 8.875 3.567 3351256
47.300 8.876 4.005 2426946
47.285 3.565 4.002 10430006
47.277 3.999 3.568 10001033
47.299 8.608 3.566 2377804
47.286 8.609 4.002 3971338
53.805 2.920 4.604 4394801
40.303 8.607 2.955 897284
40.269 8.609 2.903 1043045
60.463 7.710 5.124 1124785
60.429 4.144 5.121 2343121
60.433 1.179 5.121 3624830
60.445 9.085 5.121 5066420
60.431 8.182 5.121 1170961
60.451 1.352 5.123 1803737
72.393 7.709 4.146 1049050
72.342 5.121 4.147 948803
72.352 1.173 4.148 6863980
72.368 9.087 4.148 2585484
72.401 2.476 4.145 674716
21.480 7.711 1.178 1107698
21.524 5.119 1.177 583382
21.479 4.147 1.176 4475016
21.486 9.085 1.175 1238344
21.509 2.469 1.178 790958
50.312 4.447 5.247 1251480
50.372 8.663 5.245 1340220
50.308 1.210 5.246 5430003
50.329 9.125 5.246 5364205
23.900 1.464 1.211 2764546
23.915 0.412 1.213 10117362
24.006 0.809 1.216 3988264
23.946 8.644 1.214 646889
23.916 5.245 1.214 2318752
23.924 2.454 1.214 1649604
23.887 3.170 1.213 583576
23.931 7.055 1.211 730268
23.923 9.108 1.214 3918099
54.608 9.159 5.550 1261765
54.656 3.142 5.551 2948531
54.651 8.909 5.551 4630714
31.932 2.111 3.144 1652215
31.906 9.137 3.147 1882770
31.927 5.551 3.145 1406233
58.023 0.804 4.693 3779413
57.922 2.852 4.685 1554232
57.831 9.031 4.695 3623706
31.752 8.909 2.839 877631
31.760 6.908 2.845 612579
31.670 1.169 2.832 615590
31.751 7.270 2.831 1141750
58.295 9.031 4.130 1754612
58.248 2.155 4.127 6105694
58.243 2.467 4.127 2276898
29.474 9.032 2.160 2874349
29.437 4.123 2.156 2203715
29.458 8.374 2.162 713157
34.617 9.031 2.469 1556014
34.669 4.126 2.471 1135091
66.800 8.365 3.912 1399327
66.783 1.102 3.913 3894029
69.113 8.369 4.490 2195986
69.154 3.909 4.489 757548
69.103 1.102 4.492 5807456
69.110 9.574 4.491 1984673
21.748 2.447 1.099 623189
21.741 2.994 1.100 781242
21.755 8.667 1.102 575843
21.755 8.365 1.098 622634
21.747 3.908 1.101 2886104
21.723 4.487 1.099 1630866
21.763 9.577 1.099 913956
62.083 9.571 3.881 502862
61.973 2.626 3.885 809840
62.031 2.893 3.883 1291093
30.319 9.572 2.632 898363
30.321 9.574 2.897 698423
30.256 3.879 2.619 406400
30.372 3.875 2.897 785318
30.344 2.630 2.896 6536707
30.328 2.888 2.630 5905932
30.387 1.159 2.625 759962
30.392 1.157 2.897 1242308
30.560 1.456 2.629 562526
30.315 1.467 2.898 784671
30.272 0.956 2.897 620896
52.594 7.719 3.828 5126176
52.579 1.376 3.828 5801296
52.574 6.912 3.826 2439526
16.088 7.718 1.375 2270920
16.096 3.824 1.376 7070424
16.081 6.911 1.376 765070
54.504 6.910 4.460 995780
54.456 0.959 4.459 1392087
54.520 1.168 4.459 3895927
37.910 2.635 1.176 391981
37.838 2.857 1.176 1083828
37.899 6.909 1.176 862215
37.918 4.452 1.176 543722
37.851 1.474 1.177 1574596
37.856 7.272 1.178 941619
28.804 0.967 1.477 2097685
28.833 1.146 1.482 3144813
28.802 2.815 1.488 2980932
28.831 7.269 1.482 874107
41.878 0.948 2.813 2058754
41.846 1.087 2.813 1536409
41.859 1.478 2.813 5314578
41.872 7.273 2.815 587389
24.541 1.476 0.969 1554395
24.661 1.466 1.079 1571633
24.439 2.829 0.967 902138
24.542 2.824 1.076 1006469
24.599 7.265 0.936 687828
53.017 1.177 5.604 736356
52.993 2.461 5.603 3192489
53.005 9.201 5.604 5636906
44.203 5.601 2.404 1179207
44.191 5.599 2.482 1092808
44.182 9.205 2.394 652915
44.215 9.203 2.485 596865
56.729 3.176 4.891 1180829
56.817 7.068 4.896 534571
56.763 9.070 4.894 2815110
56.829 0.803 4.890 1116483
42.970 1.215 2.451 1344855
42.966 9.201 2.448 1016729
42.978 2.450 3.175 7433238
42.982 3.175 2.449 7076475
42.972 7.056 2.451 2394980
43.175 7.096 3.156 2512971
42.978 7.061 3.177 2567916
43.009 9.076 2.446 705675
42.934 9.072 3.179 776462
43.019 0.521 2.453 375680
42.989 0.394 2.451 1066937
42.906 0.392 3.174 684480
42.966 0.823 2.448 1250423
42.982 0.825 3.173 1540740
64.174 9.071 3.929 2723165
64.171 8.184 3.922 1010196
64.149 0.823 3.922 769541
53.267 1.492 5.190 1047697
53.147 0.534 5.190 2952280
53.095 8.766 5.190 785416
53.181 1.329 5.190 1951191
44.826 8.184 1.310 716733
44.825 8.182 1.501 1023310
44.819 0.450 1.319 1893249
44.798 0.444 1.504 2470139
44.808 0.512 1.319 1667540
44.874 6.944 1.320 512739
44.854 6.944 1.501 512696
25.743 6.949 0.439 595184
25.848 1.317 0.439 4404440
23.909 9.078 0.538 430006
23.830 1.228 0.538 4271274
23.825 9.235 0.539 870673
23.799 5.193 0.538 1084788
23.828 4.346 0.537 1239605
23.737 8.764 0.537 603553
23.779 1.337 0.539 7190959
31.966 0.538 1.943 1726654
31.875 0.780 1.819 1488154
34.101 8.561 2.236 596358
34.162 0.527 2.105 1190590
34.049 0.541 2.239 1268913
34.176 0.785 2.236 783167
50.933 8.580 3.988 849946
50.904 0.947 3.990 5206988
50.922 8.735 3.989 4757317
50.915 -0.603 3.987 1685551
50.839 5.168 3.989 740087
50.863 6.947 3.990 771908
20.469 8.562 0.955 4367908
20.414 3.988 0.949 4688521
20.409 8.735 0.950 1231138
20.418 0.507 0.952 5451878
20.412 1.459 0.950 2127293
20.451 6.914 0.958 3342209
20.415 -0.603 0.950 6198285
20.481 0.240 0.953 1492611
20.425 7.211 0.950 1715452
52.780 8.739 4.555 710328
52.730 1.618 4.556 1665740
52.772 8.257 4.554 3173000
52.771 0.803 4.554 2170918
52.831 0.524 4.556 3945762
44.313 8.736 0.813 637939
44.263 8.741 1.648 986403
44.266 1.649 0.812 8407429
44.276 0.528 1.648 1406917
44.270 1.464 0.810 1848604
44.285 8.253 0.810 760781
44.284 8.252 1.652 452044
44.256 4.039 0.811 1065759
44.326 4.035 1.654 555169
44.372 2.054 0.791 456359
44.165 2.378 0.813 460895
44.265 2.348 1.650 798606
44.266 2.547 0.811 618977
44.228 2.546 1.648 1043002
44.263 0.804 1.650 9033268
25.810 1.648 0.703 3018182
25.789 2.053 0.705 1391819
21.509 1.942 0.525 1429103
21.500 2.111 0.522 2194869
21.518 2.246 0.521 1534122
21.471 4.567 0.526 1805270
21.467 1.442 0.525 5232580
21.400 1.634 0.527 1432934
56.825 2.509 4.304 2899318
33.891 0.809 2.297 942770
33.892 1.186 2.295 562967
33.877 8.253 2.300 916063
63.845 1.889 4.276 5421602
63.845 1.889 4.276 5421602
63.794 2.326 4.284 5217432
63.794 2.326 4.284 5217432
31.701 4.282 2.328 1342290
51.252 3.366 4.376 3628064
51.278 4.359 3.370 2243662
51.383 0.575 3.377 703060
51.328 0.580 4.377 935756
51.307 0.737 3.369 1590998
51.320 0.735 4.377 1174902
51.278 2.787 3.363 1349980
51.328 2.793 4.372 675472
51.235 1.790 3.369 1822436
51.262 1.812 4.379 1715283
26.739 4.301 1.743 530301
26.580 2.325 1.743 1511729
26.550 2.325 1.803 1267648
26.644 3.359 1.745 817228
26.682 3.366 1.811 681362
56.283 8.983 4.600 1206232
56.327 1.151 4.600 1880082
56.325 1.724 4.600 3233167
56.401 7.852 4.599 610438
40.193 8.979 1.150 1928660
40.226 8.980 1.725 1341282
40.188 1.152 1.725 9920694
40.188 1.723 1.151 8426170
40.202 7.847 1.151 1046443
40.227 7.850 1.728 771350
58.363 2.975 5.002 2891686
58.344 3.319 5.002 3365695
58.341 7.857 5.001 1698470
32.297 7.838 2.976 522575
32.255 7.838 3.324 599780
32.303 2.979 3.322 5247192
32.312 3.318 2.983 4982656
32.273 2.435 3.323 824449
58.053 0.799 4.047 1994536
58.048 1.639 4.048 970774
58.083 7.884 4.047 5373151
58.062 1.491 4.047 2017091
58.051 2.026 4.047 4319706
58.182 3.066 4.049 811439
58.093 7.731 4.044 1140782
58.179 3.231 4.041 540777
27.484 1.472 2.029 4267396
27.239 4.042 2.024 1361579
27.291 3.070 2.027 1099029
42.857 1.468 3.076 4353007
42.839 2.021 3.077 2547128
27.727 0.825 1.544 1297462
27.792 7.882 1.433 531581
27.793 7.883 1.514 468486
27.772 4.044 1.432 726617
27.746 4.040 1.515 882113
27.625 2.021 1.432 4866084
27.633 2.021 1.515 4549550
27.784 3.069 1.430 2266912
27.849 3.072 1.513 2071100
28.215 7.723 2.133 2040359
27.988 0.521 2.152 994386
34.071 7.722 2.435 3203736
63.660 1.927 4.580 1314841
63.690 2.278 4.581 2748660
63.653 1.772 4.579 925470
63.693 8.171 4.582 4244107
63.691 0.523 4.581 4882012
32.023 0.522 2.280 1027847
50.868 2.424 3.645 676970
50.804 2.428 3.840 545306
50.776 1.932 3.648 1363072
50.801 1.925 3.847 920385
50.796 3.642 3.845 8277478
50.793 3.844 3.646 6706628
50.788 1.777 3.642 1811399
50.791 1.775 3.844 1876647
50.815 0.525 3.641 482132
50.756 0.523 3.846 782144
50.790 2.144 3.645 4560578
50.784 2.146 3.845 3457380
27.938 3.643 1.775 1078878
27.934 3.843 1.774 1229394
27.826 0.523 1.774 1364541
28.004 3.639 2.152 2733186
27.967 3.844 2.153 1531504
54.167 0.807 4.460 4034498
54.171 1.473 4.460 3254962
54.120 9.244 4.459 4899300
43.231 8.169 1.468 1109750
43.196 9.243 1.462 1127724
43.186 6.908 1.459 748435
43.084 0.953 1.464 1505488
42.985 0.533 1.467 4136488
28.011 0.945 0.504 3996305
27.970 4.341 0.505 594340
27.968 8.185 0.503 769752
28.015 0.802 0.503 6023040
27.943 1.564 0.502 4441656
27.992 1.475 0.503 4846638
28.044 2.907 0.502 1524009
28.033 6.907 0.502 1339951
28.005 1.193 0.505 620750
28.034 1.806 0.503 1365702
28.038 -0.602 0.503 4472504
28.042 0.240 0.503 4696394
28.028 2.716 0.503 2728972
24.963 8.236 0.810 654451
24.978 4.359 0.804 989221
24.973 4.436 0.805 994300
24.899 0.500 0.808 7091818
24.988 9.238 0.807 1874107
25.003 1.816 0.806 1558818
27.683 0.500 1.590 3546177
55.291 9.245 4.485 1197060
55.303 2.127 4.488 2434618
55.373 2.316 4.484 2669314
55.258 2.457 4.485 1822064
55.493 8.598 4.476 7390320
29.558 9.244 2.338 1647938
29.773 4.489 2.128 432438
29.769 4.488 2.327 434946
29.667 8.599 2.327 357882
33.858 9.244 2.267 646902
33.830 0.577 2.465 721558
62.198 8.602 4.265 1240944
62.182 1.947 4.262 1085731
62.133 0.666 4.263 4073800
62.125 0.984 4.262 4097660
62.143 8.945 4.262 7003906
62.151 6.909 4.264 670103
32.031 8.598 1.952 3078507
32.054 0.980 1.949 5601986
32.048 0.671 1.951 6184036
21.417 8.608 0.667 1234580
21.418 4.262 0.668 2285189
21.421 1.951 0.669 6792414
21.416 8.945 0.668 2141789
21.423 1.329 0.672 1133762
21.420 2.871 0.669 1065548
21.458 6.907 0.667 622038
21.405 6.729 0.669 1091977
20.781 8.595 0.981 4169282
20.846 4.260 0.986 2728210
20.837 1.950 0.986 7243810
20.837 8.948 0.985 927562
20.789 6.907 0.982 3908935
20.800 6.728 0.983 3920253
53.479 8.946 4.511 1135236
53.409 1.276 4.512 3846193
53.401 1.470 4.514 1718276
53.398 0.580 4.513 5234706
53.436 8.514 4.511 6474882
42.839 8.941 1.269 693340
42.876 8.947 1.469 1344103
42.823 0.561 1.262 2282208
25.331 1.469 0.543 2050796
25.414 2.405 0.541 765884
25.330 2.607 0.542 1555165
25.380 2.923 0.548 719330
25.324 6.921 0.541 700743
23.284 2.291 0.590 1280278
23.263 8.945 0.589 566913
23.317 4.510 0.590 994197
23.305 1.305 0.588 5674586
23.269 8.515 0.588 705001
33.503 8.520 1.656 1249437
33.517 8.518 1.754 1411041
33.363 8.216 1.658 531636
41.871 0.686 2.872 1813710
41.891 1.615 2.871 4663266
41.880 1.291 2.870 2453658
52.089 8.216 4.535 1723333
51.885 1.290 4.534 7829132
51.895 9.200 4.534 5922238
20.721 8.216 1.289 3033607
20.734 4.532 1.290 2155061
20.723 9.198 1.289 2506407
20.802 7.817 1.292 610511
59.745 9.200 4.082 5908244
59.663 2.890 4.082 1826000
59.716 3.071 4.080 3457062
59.713 8.618 4.081 3077482
25.807 9.200 2.892 714102
25.825 9.201 3.070 690978
25.797 4.077 2.891 1449498
25.782 4.080 3.072 2733878
25.785 2.890 3.070 29378128
25.785 3.066 2.890 27964788
25.766 8.616 2.891 645129
25.752 8.622 3.070 757783
45.535 8.618 3.667 4873186
45.545 8.618 4.076 3142562
45.520 3.667 4.076 22029166
45.516 4.075 3.668 20613188
45.484 7.812 3.667 825502
45.558 7.814 4.078 795172
51.048 7.812 4.622 1851763
51.004 1.378 4.621 8357785
51.029 8.101 4.621 6634300
21.250 7.814 1.376 4451722
21.229 4.615 1.376 1521798
21.243 8.102 1.377 3720288
61.462 8.100 4.564 1184158
61.455 1.787 4.560 1787937
61.443 0.547 4.561 2998706
61.429 0.722 4.561 2961902
61.445 8.635 4.562 6557760
33.845 8.105 1.789 2238588
33.831 0.549 1.788 4180800
33.820 0.721 1.788 4166950
33.850 8.634 1.790 600029
21.239 8.106 0.547 771770
21.203 1.786 0.549 6616663
21.174 8.635 0.551 2153887
21.192 6.725 0.551 1123440
20.835 1.269 0.733 985572
20.848 8.103 0.732 2424155
20.864 1.786 0.732 5540345
20.847 8.638 0.732 1003783
52.088 0.934 5.027 726802
52.167 0.542 5.029 775544
52.126 8.636 5.025 1135187
52.067 2.412 5.025 2018382
52.066 2.547 5.026 3031200
52.085 8.946 5.024 4461220
52.076 6.908 5.018 996964
44.017 0.931 2.409 1529900
44.066 0.934 2.551 1880423
44.023 1.252 2.402 914351
43.790 1.285 2.549 752119
44.031 1.473 2.407 1712687
44.045 1.469 2.547 1073060
44.022 0.541 2.405 903290
44.011 8.638 2.405 1067131
44.043 8.638 2.545 868234
44.020 8.941 2.402 1071537
44.020 8.943 2.550 1355888
57.282 0.531 5.143 823957
57.294 2.917 5.144 1397564
57.416 6.910 5.150 2033347
57.278 9.248 5.144 4956901
57.283 8.944 5.146 1404332
41.307 0.942 2.719 380140
41.264 0.501 2.713 2141021
41.402 0.501 2.915 1310028
41.224 0.806 2.720 1558796
41.223 1.488 2.715 1095342
41.424 1.462 2.917 496311
41.333 8.945 2.917 890572
41.294 6.906 2.915 1726492
41.238 6.923 2.714 2964269
56.370 0.929 5.046 1034176
56.426 0.560 5.040 551516
56.442 2.622 5.043 1875924
56.392 2.928 5.045 1181882
56.427 6.921 5.045 1419557
56.426 9.170 5.044 3709706
44.248 0.929 2.613 1180915
44.359 0.931 2.932 394490
44.303 0.546 2.622 1827202
44.274 0.548 2.931 1302502
44.350 9.244 2.624 1410264
44.334 9.246 2.930 1766195
44.325 6.920 2.620 1896237
44.313 6.925 2.929 1815462
57.922 2.718 4.693 1832960
29.646 0.803 2.723 1669581
29.640 9.167 2.750 1179226
29.765 7.381 2.759 354398
29.621 0.582 2.725 698791
56.828 7.258 4.306 2308820
56.877 9.249 4.306 1458495
56.820 9.097 4.305 958606
28.875 4.306 2.321 976778
29.149 4.306 2.088 1366214
34.180 6.906 2.505 1439059
34.189 7.261 2.507 864083
34.197 9.255 2.510 1576263
34.214 4.307 2.511 1126022
39.457 2.136 2.536 942084
39.530 2.141 2.989 616426
39.530 9.101 2.534 1976545
39.546 9.101 2.991 1889731
39.534 2.529 2.990 16422801
39.537 2.989 2.532 16032117
39.527 7.182 2.986 1094060
39.235 7.157 2.546 1052067
45.171 7.181 3.449 2852253
45.169 7.181 4.007 2324297
45.152 3.447 4.005 10275185
45.159 4.002 3.449 8927117
45.122 7.382 3.444 477327
45.149 7.387 4.002 502785
59.629 7.384 4.623 860827
59.554 2.986 4.624 1289560
59.606 3.367 4.625 2488486
30.135 7.387 2.983 607195
30.072 7.395 3.363 586184
30.104 0.584 2.983 1039285
30.108 0.583 3.370 1453552
45.553 7.614 2.928 2334227
45.557 7.616 3.697 2163028
45.548 2.922 3.699 10340209
45.539 3.696 2.925 8060450
45.555 8.448 2.924 2267945
45.550 8.447 3.698 4265818
45.586 1.652 3.691 609119
55.707 0.932 4.616 2413802
55.721 8.751 4.616 4569971
55.742 1.660 4.615 4053139
42.235 8.446 1.657 4259276
42.212 0.936 1.657 7151444
42.255 8.748 1.659 747147
42.305 0.570 1.661 474279
24.794 8.450 0.941 736814
24.655 8.750 0.931 1066380
24.699 1.652 0.933 9884216
56.973 8.750 4.213 848531
56.996 0.584 4.214 4323641
56.976 0.736 4.213 3807784
57.000 8.486 4.214 7317466
37.368 2.717 1.802 548121
37.424 8.750 1.806 1782364
37.396 0.560 1.807 1214009
37.397 1.186 1.808 1989021
37.408 0.743 1.806 3264755
37.399 0.233 1.811 1227720
9.334 2.743 0.588 1552570
9.419 2.972 0.589 1403967
9.438 8.484 0.589 783397
9.402 8.749 0.589 581529
9.368 4.214 0.589 3175994
9.358 1.184 0.590 3844647
9.370 3.365 0.589 2308669
9.373 1.819 0.589 6302901
27.012 8.752 1.186 519017
27.068 8.752 1.827 685911
27.023 0.582 1.186 2651804
27.005 0.583 1.829 2576402
27.043 1.184 1.826 5442444
27.000 0.767 1.182 2224934
27.047 1.821 1.186 7187061
18.034 3.363 0.736 1373972
18.000 4.357 0.738 832629
18.027 4.217 0.737 2627499
18.038 1.187 0.736 1695123
18.022 8.487 0.739 2251396
18.032 1.649 0.741 3440325
17.985 6.816 0.735 790914
18.054 2.790 0.737 1772167
18.036 -0.603 0.737 712300
18.031 0.235 0.738 5595087
18.035 1.814 0.737 6857164
58.347 8.483 4.383 2221720
58.300 3.786 4.383 2383497
58.285 4.082 4.381 5197514
58.300 9.036 4.381 8857225
58.305 2.082 4.382 522724
58.328 8.084 4.382 668886
63.563 8.486 3.786 3194623
63.519 8.487 4.082 2888783
63.541 4.378 3.789 1169108
63.497 4.382 4.083 2054105
63.512 3.784 4.082 15866019
63.512 4.080 3.787 13605572
63.558 9.032 3.785 611074
63.534 9.038 4.082 1303076
63.446 8.079 3.792 711194
63.572 8.082 4.081 789281
63.464 7.988 3.789 573513
63.489 1.612 3.786 1439622
63.487 1.616 4.082 752862
63.444 1.465 3.786 852267
63.475 1.463 4.082 474759
60.390 9.037 3.914 2348132
60.387 2.085 3.911 4491328
60.358 1.711 3.911 1825902
60.426 6.843 3.914 820622
60.364 1.350 3.908 856140
60.399 0.231 3.912 4346646
32.089 9.038 2.056 2493953
32.109 9.037 2.111 2143028
32.086 3.908 2.055 2146800
32.092 3.909 2.112 2053504
32.159 8.090 2.051 696090
32.073 8.088 2.112 886072
42.138 1.927 3.170 4069650
42.129 1.709 3.172 2838800
57.998 8.086 4.190 3396138
57.954 1.833 4.190 7019678
57.981 1.450 4.190 2205826
57.972 7.965 4.186 899280
32.379 8.086 1.843 3210335
32.387 4.189 1.827 2097181
29.165 8.081 1.696 447867
41.927 1.835 2.993 859758
41.886 1.695 2.991 5317188
41.885 1.446 2.991 2775942
55.900 7.969 4.279 1625736
55.872 1.612 4.280 4241353
55.942 1.891 4.281 4326738
55.812 1.468 4.278 3834620
55.833 6.810 4.277 730471
32.093 0.728 1.633 1052072
32.084 7.972 1.636 1257120
32.149 7.970 1.874 783161
32.141 4.278 1.639 582058
43.313 1.603 3.149 4631700
43.318 1.602 3.308 4075804
43.298 1.875 3.148 1263066
43.332 1.877 3.309 1173093
43.296 1.485 3.144 2283582
43.325 1.467 3.309 2904243
28.757 7.967 1.460 497367
28.702 4.278 1.460 757346
28.755 1.883 1.462 1928259
28.921 3.147 1.465 1643538
28.694 3.310 1.460 1594472
64.973 3.362 2.793 987139
64.958 0.508 2.795 819029
64.990 0.740 2.794 1744018
64.992 6.812 2.795 1324183
65.041 1.346 2.794 1409687
64.955 -0.604 2.796 2723988
64.978 0.234 2.793 2991440
64.994 7.268 2.794 5516425
32.120 6.810 1.349 3465086
32.100 2.787 1.348 982504
32.117 -0.602 1.349 4269838
32.113 0.233 1.349 4603458
32.142 6.943 1.348 581157
32.100 7.227 1.349 1152268
21.016 3.982 -0.604 1114826
20.987 0.948 -0.604 4864860
21.008 8.734 -0.604 846953
21.005 0.502 -0.603 3784718
20.969 6.841 -0.604 771084
21.018 2.788 -0.604 2167250
21.001 1.347 -0.604 4719446
21.008 0.233 -0.604 6116634
20.993 7.256 -0.604 2479018
21.034 6.945 -0.603 1314205
22.716 0.497 0.234 3722284
22.684 1.802 0.235 1803423
22.714 0.741 0.235 4348948
22.709 3.908 0.235 3278989
22.706 6.814 0.235 4552512
22.700 2.785 0.236 3262810
22.708 1.349 0.235 6175786
22.706 -0.602 0.235 8507433
22.718 7.255 0.237 844880
22.600 6.918 0.233 2152955
39.187 0.792 2.353 1011219
39.162 0.793 2.550 1162287
39.175 1.652 2.349 1540958
39.165 1.650 2.551 1820468
39.172 7.268 2.352 2101036
39.204 7.264 2.548 1805393
39.204 7.264 2.548 1805393
39.199 2.354 2.548 17214856
39.181 2.549 2.352 17722768
39.156 7.145 2.347 711589
57.945 3.990 5.170 2127600
57.960 -0.605 5.170 557588
57.968 8.183 5.173 682459
57.957 8.668 5.170 6203014
57.896 0.794 5.164 1337061
41.158 1.344 2.721 806628
41.272 0.228 2.708 549558
41.119 8.186 2.734 977414
59.194 2.063 4.531 3953820
59.194 0.799 4.532 5935896
59.239 8.479 4.531 6488027
35.172 8.667 2.068 741124
35.220 4.528 2.067 779916
35.217 0.792 2.066 10086050
35.210 8.479 2.064 2720941
21.366 8.666 0.806 1063590
21.378 2.063 0.806 7194406
21.382 8.475 0.804 1147389
19.500 1.849 0.777 854720
19.448 0.549 0.779 4615499
19.350 8.667 0.777 2792833
19.351 2.062 0.777 6424995
19.388 8.486 0.776 885421
61.298 0.533 4.347 2661664
61.329 8.474 4.344 1386677
61.112 1.659 4.338 1426470
61.297 0.389 4.348 1056832
61.335 1.342 4.348 1259603
61.319 8.765 4.348 5111262
61.197 0.816 4.342 4105532
38.177 0.525 1.681 432873
38.153 8.479 1.680 3553862
38.191 0.380 1.680 1873942
38.181 1.348 1.678 2137232
38.156 0.822 1.678 5201240
12.990 3.543 0.378 728261
12.994 3.181 0.378 2960979
12.974 7.060 0.377 652489
12.990 8.475 0.381 684854
12.980 1.695 0.378 3308115
12.989 1.346 0.379 3634234
12.979 0.816 0.378 10390416
27.929 8.478 0.843 1187246
27.943 8.476 1.352 1668732
27.952 4.352 0.843 608818
27.929 4.351 1.345 481683
27.848 0.391 1.346 3845106
27.939 0.837 1.349 14536072
17.720 3.177 0.824 2124060
17.724 7.058 0.823 1737374
17.735 8.473 0.825 2126500
17.744 4.345 0.824 1479329
17.725 1.683 0.824 6395708
17.727 0.383 0.823 6433914
17.710 1.348 0.822 1274796
17.698 8.767 0.824 2026180
57.751 8.762 4.545 1540716
57.690 3.733 4.544 4309220
57.705 8.465 4.544 4545888
64.187 1.824 3.709 879158
64.143 0.810 3.710 654725
64.167 8.764 3.707 1570666
64.168 8.468 3.709 1245618
41.240 8.475 2.721 4272308
56.091 8.486 4.313 2426224
56.115 2.078 4.312 2906516
56.237 2.294 4.312 2946768
56.113 8.253 4.312 6219191
29.252 8.485 1.938 1875442
29.229 8.487 2.081 1494866
29.263 4.308 1.945 962261
29.360 8.259 1.930 487842
29.246 8.258 2.081 577063
33.870 8.488 2.298 1693108
33.845 4.308 2.296 1268032
55.411 1.475 4.263 3909339
55.181 0.809 4.254 4630980
55.166 8.258 4.254 7625243
42.135 0.839 1.450 2939436
42.129 0.842 1.545 3655349
42.129 8.256 1.450 2271507
42.149 8.258 1.545 2587832
25.018 8.248 0.848 628917
23.344 4.254 0.805 3469734
23.390 8.259 0.806 938390
23.340 1.510 0.806 3037804
27.008 8.253 1.530 1742071
56.273 8.258 4.167 2201287
56.297 2.174 4.169 1486570
56.324 1.872 4.166 4519851
56.402 8.485 4.171 3745723
29.862 8.258 1.869 3309108
29.828 4.163 1.869 2347355
35.384 8.256 2.197 702307
35.383 4.166 2.194 522058
55.191 8.500 4.611 2293454
28.857 8.528 3.079 695762
55.240 3.182 4.634 8841278
29.148 8.572 3.197 431246
29.497 8.409 3.212 388005
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 1H 1 H . 6898.236 . . . 15338 2
2 13C 13 C . 12066.365 . . . 15338 2
3 1H 1 'Aliphatic H' . 11001.100 . . . 15338 2
stop_
save_