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NMR_data.txt
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A N T1/2 Nu spin(halfs)
0 1 636 -9.5652135 1
1 1 0 2.792847343 1
1 2 0 0.857438229 2
1 3 388838880 2.978962444 1
2 3 0 -2.127497723 1
3 6 0 0.82204736 2
3 7 0 3.2564272 -3
3 8 8.42E-13 1.653402 4
3 9 1.78E-13 3.43916 -3
3 11 7.7E-15 3.6683 -3
4 9 0 -1.17789 -3
5 8 0.77 1.03553 4
5 10 0 1.800644786 6
5 11 0 2.68864891 -3
5 12 2.04E-14 1.0027211 2
5 13 1.74E-14 3.17785 -3
5 14 1.38E-14 1.1855 -4
5 15 1.03E-14 2.65915 -3
5 17 5.1E-15 2.552 -3
6 9 1.26E-13 1.39145 -3
6 11 1224 -0.9641 -3
6 12 4.5E-11 0 4
6 13 0 0.702411814 -1
6 14 0.000067 0.822 -6
6 15 2.45 1.327 1
7 12 1.1E-14 0.45735 2
7 13 597.6 0.32224 -1
7 14 0 0.403761006 2
7 15 0 -0.283188845 -1
7 16 0.0000913 1.606 -6
7 17 4.17 0.3522 -1
8 13 #VALUE! 1.38913 -3
8 15 122 0.7195112 -1
8 16 0.0000184 1.66812 -6
8 17 0 -1.893799 5
8 18 0.00000207 -0.573 4
8 19 27 1.531957 5
8 20 0.0000074 0.703 4
9 17 64.5 4.72133 5
9 18 0.000047 1.62 6
9 19 0 2.6288688 1
9 20 11 2.093359 4
9 21 4.16 3.935 5
10 19 17.3 -1.885428 1
10 20 0.0000007 1.088 4
10 21 0 -0.6617975 3
10 22 0.0000036 0.652 4
10 23 37.6 -1.081 5
11 20 0.446 0.36942 4
11 21 22.5 2.836301 3
11 22 81993600 1.7463 6
11 23 0 2.2175222 3
11 24 54000 1.69038 8
11 25 60 3.6834 5
11 26 1.07 2.8512 6
11 27 0.29 3.8955 5
11 28 3.05E-14 2.4265 2
11 29 4.3E-14 2.4498 3
11 30 5.3E-14 2.0831 -4
11 31 1.7E-14 2.3058 3
12 23 11.3 0.53643 3
12 24 0.00000145 1.024 4
12 24 0.00000144 0 4
12 25 0 -0.855458 5
12 26 4.76E-10 1.03 4
13 25 7.18 3.645512 5
13 26 #VALUE! 2.8044 10
13 27 0 3.64150697 5
13 28 134.4 3.2425 6
14 27 4.1 -3.4216 5
14 28 0.00000049 1.12 4
14 29 0 -0.555293 1
14 30 0.00000025 0.82 4
14 32 0.0000004 0 4
14 33 6.332 1.213 3
15 29 4.1 1.23493 1
15 31 0 1.131603 1
15 31 1233792 -0.25243 2
16 31 2.6 0.487938 1
16 32 0.00000016 0.92 4
16 33 0 0.643821214 3
16 34 0.00000032 1.02 4
16 35 7551360 0 3
17 33 2.52 0.7522 3
17 35 0 0.82187434 3
17 36 #VALUE! 1.285475 4
17 37 0 0.68412364 3
17 38 2238 2.052 -4
18 33 0.174 -0.7236 1
18 35 1.78 0.6337 3
18 36 0.00000028 0 4
18 37 3024000 0.83 3
18 39 8483184000 -1.58815 -7
18 40 0.00000112 -0.22 4
19 36 0.34 0 4
19 37 1.23 0.203216 3
19 38 456.6 1.3716 6
19 39 0 0.391473 3
19 40 #VALUE! -1.2981003 -8
19 41 0 0.21487012 3
19 42 44496 -1.14256 -4
19 43 80280 0.16338 3
19 44 1326 -0.8564 -4
19 45 1200 0.17348 3
19 46 115 -1.0516 -4
19 47 17.5 1.9339 1
20 39 0.86 1.0216812 3
20 40 0.000047 1.63 -6
20 41 #VALUE! -1.5947819 -7
20 42 0.00000082 0 4
20 43 0 -1.31736 -7
20 44 0.0000029 -0.62 4
20 45 14256000 -1.327414 -7
20 47 388800 -1.383 -7
21 41 0.59 0 -7
21 43 14004 4.624 -7
21 44 14148 2.563 4
21 45 0 4.7564872 -7
21 46 7241184 3.032 8
21 47 295488 5.342 -7
22 43 0.5 0.852 -7
22 45 11124 0.0952 -7
22 46 0.00000536 1.03 4
22 47 0 -0.788481 -5
22 48 0.00000429 0.94 4
22 49 0 -1.104171 -7
22 50 0.00000097 2.78 4
23 46 1.02E-15 1.643 6
23 48 1377216 0 8
23 49 28512000 4.475 -7
23 50 4.7304E+24 3.345688914 12
23 51 0 5.14870572 -7
24 49 2514 0.4763 -5
24 50 0.0000092 1.22 4
24 51 2393280 0 -7
24 52 0.000000707 3.05 4
24 53 0 -0.474543 -3
24 54 0.000008 1.12 4
25 51 0 3.568313 -5
25 52 501120 3.062212 12
25 53 #VALUE! 5.0247 -7
25 54 26956800 3.281913 6
25 55 0 3.453213 -5
25 56 9288 3.22662 6
26 53 0.000000064 -0.38615 -3
26 54 0.00000097 3.48 4
26 55 0.0000083 2.712 -5
26 56 0.0000069 1.2216 4
26 57 0 0.090447 -1
26 58 0.0000067 0.93 4
26 59 3853440 -0.33584 -3
27 55 63000 4.8223 -7
27 56 6808320 3.851 8
27 57 23414400 4.7201 -7
27 58 6117120 4.0448 4
27 59 0 4.6279 -7
27 60 166226256 3.7998 10
28 57 129600 -0.797514 -3
28 58 0.000000644 -0.13 4
28 59 0.000083 0.3515 -5
28 60 0.000000713 0.23 4
28 61 0 -0.750024 -3
28 62 0.00000143 0.6814 4
28 63 1.72E-15 0.7523 -5
28 64 0.00000085 0.93 4
28 65 9072 0.696 -5
29 60 1404 1.2193 4
29 61 12276 2.144 -3
29 62 583.8 -0.3804 2
29 63 0 2.2272063 -3
29 64 45720 -0.2172 2
29 65 0 2.38173 -3
29 66 306 -0.2822 2
30 63 2286 -0.281645 -3
30 64 0.00000175 0.82 4
30 65 21090240 0.76902 -5
30 66 0.00000156 0.52 4
30 67 0 0.8754799 -5
30 68 0.0000009 1.02 4
30 69 49392 1.1572 9
30 70 0.0000032 0.6014 4
30 71 14184 1.0526 9
31 66 0.000000023 1.012 4
31 67 281880 1.85073 -3
31 68 4086 0.011755 2
31 69 0 2.016595 -3
31 70 2.27E-08 -0.261 -8
31 71 0 2.562272 -3
31 72 50760 -0.132242 -6
32 67 0.000000111 -0.84912 9
32 68 0.00000048 0 12
32 69 140400 0.7357 -5
32 70 0.00000132 0.945 4
32 71 967680 0.5475 -1
32 72 0.00000329 0.807 4
32 73 0 -0.87946772 9
32 74 0.0000125 0.874 4
32 75 4968 0.5105 -1
32 76 0.0000186 0.845 4
33 68 0.000000037 0 #VALUE!
33 69 912 1.5816 -5
33 70 3180 2.10612 8
33 71 235080 0 -5
33 72 93600 -2.15663 -4
33 73 0.000000005 1.631 -5
33 74 1537920 -1.5973 -4
33 75 0 1.439487 -3
33 76 94680 -0.9065 -4
33 77 0.000304 0.742 -5
34 73 25560 0.875 9
34 74 0.00000708 0 4
34 75 10238400 0.674 5
34 76 0.0000111 0.82 4
34 77 0 0.53504226 -1
34 78 0.0000086 0.82 4
34 79 #VALUE! -1.01815 7
34 80 0.000008 0.83 4
34 82 0.0000113 0.93 4
35 72 79 0.601 6
35 73 3.47E-08 1.9713 -3
35 74 2760 1.6818 8
35 75 5820 0.7618 -3
35 76 57960 0.548212 -2
35 77 205200 0.925 -3
35 78 387.6 0.133 2
35 79 0 2.1064004 -3
35 80 1056 0.51406 2
35 81 0 2.2705624 -3
35 82 127080 1.62705 -10
35 84 1908 1.97 -4
36 75 258 0 5
36 77 4464 0 5
36 78 0.000022 1.081 4
36 79 126144 0 -1
36 81 #VALUE! 0 7
36 83 0 -0.9706693 9
36 84 1.84E-15 -1.972 16
36 85 339327360 0 9
36 87 4578 -1.0185 5
36 89 189 0 3
36 91 8.57 0 5
36 93 1.286 0 1
36 95 0.78 0 1
37 76 39 -0.372622814 -2
37 77 228 0.654468016 -3
37 78 378 2.5492 -8
37 79 1380 3.357912 5
37 79 1.86E-08 5.037 9
37 80 30 -0.08366 2
37 81 16488 2.059514 -3
37 82 75 0.554508311 2
37 83 7447680 1.42498 -5
37 84 2851200 -1.3241162 -4
37 85 0 1.352981 -5
37 86 1611360 -1.692014 -4
37 87 #VALUE! 2.7513112 -3
37 88 1062 0.5085 -4
37 89 912 2.38367 -3
37 90 255.6 1.61606 -6
37 91 58 2.181515 -3
37 93 5.85 1.4102 -5
37 94 2.73 1.4982 -6
37 95 0.38 1.3343 -5
37 96 0.2 1.4662 4
37 97 0.17 1.8412 -3
38 77 9 -0.3484 5
38 79 135 -0.4744 -3
38 81 1338 0.5434 -1
38 82 0.000003 22 -10
38 83 116640 -0.8292 7
38 84 0.0000032 0.849 4
38 85 5598720 -1.0002 9
38 86 0.00000146 0.551 4
38 87 0 -1.09287 9
38 88 0.000000152 2.33 4
38 89 4363200 -1.1472 5
38 91 34200 -0.8852 5
38 93 444 -0.7932 5
38 95 618 -0.5372 -1
38 97 0.4 -0.4982 -1
38 98 2.8E-09 0.7614 4
38 99 0.269 -0.2615 3
39 83 0.000171 2.16 7
39 85 17640 6.25 9
39 86 52200 0 -8
39 87 45720 6.067 9
39 88 1.4E-14 4.875 16
39 89 0 -0.13741543 -1
39 90 230760 -1.6308 -4
39 91 5054400 0.16418 -1
40 86 #VALUE! 0 #VALUE!
40 88 1.32E-15 -1.812 16
40 89 282240 -1.082 9
40 90 0.8 6.2513 -10
40 91 0 -1.303622 5
40 92 0.00000485 -0.061 4
40 94 0.0000073 -0.5212 4
40 95 5529600 1.132 5
40 97 0.000000102 1.3714 7
40 99 1.07E-09 0.426 3
40 100 6.1E-10 0.5212 4
41 89 7200 6.2165 9
41 90 52560 4.9614 16
41 91 0.00000001 9.1413 -13
41 92 876960 0 4
41 93 0 6.17053 9
41 95 3041280 6.1415 9
41 96 84240 4.9764 12
41 97 4326 6.1535 9
42 88 #VALUE! 0 #VALUE!
42 89 9.5E-09 8.34 21
42 90 0.000016 5.514 -10
42 91 0.000000047 8.818 21
42 92 0.00000019 11.305 16
42 93 24660 0 21
42 94 0.0000029 0 4
42 95 0 -0.91421 5
42 96 0.0000037 0 4
42 97 0 -0.93351 5
42 98 0.0000035 0.74 4
42 99 237240 0.3753 1
42 100 0.0000103 0.74 4
42 102 1.1E-10 0.8414 4
42 104 9E-10 0.42 4
42 107 0.000000245 0 #VALUE!
43 92 3.2E-09 8.93 -22
43 93 9900 6.326 9
43 94 17580 5.125 14
43 95 72000 5.946 9
43 96 369792 5.095 14
43 99 #VALUE! 5.68474 9
43 108 0.0000001 0
44 93 2.4E-15 8.972 21
44 94 0.000000065 8.125 12
44 95 5904 0.8617 5
44 96 0.0000027 0 4
44 97 248832 0 5
44 98 0.0000059 0.86 4
44 99 0 -0.6415 5
44 100 0.000012 1.0213 4
44 101 0 -0.7196 5
44 102 0.000018 0.746 4
44 103 3404160 0.2063 3
44 104 0.000058 0.821 4
44 105 15984 0 3
44 109 0.00000078 0
45 95 0.000000019 10.93 -17
45 99 16920 5.626 9
45 100 0.000000215 4.3248 4
45 101 374976 5.436 9
45 102 17798400 0.54 -4
45 103 0 -0.88402 -1
45 104 0.000000047 2.006 -12
45 105 127440 4.415 7
45 106 29.8 2.5757 2
46 96 2.22E-15 10.976 16
46 101 30600 0 5
46 102 0.0000113 0.828 4
46 103 0.000000025 -1.056 -11
46 104 0.0000097 0.928 4
46 105 0 -0.6423 5
46 108 0.000023 0.726 4
46 110 0.000046 0.626 4
47 101 684 5.74 9
47 102 780 4.67 10
47 103 3960 4.475 7
47 104 4140 3.9178 10
47 105 3568320 0.10141 -1
47 106 1440 2.92 2
47 107 0 -0.113572 -1
47 108 144 2.68847 2
47 109 0 0.130562 -1
47 110 24.4 2.72718 2
47 111 643680 -0.1462 -1
47 112 11304 0.05475 -4
47 113 19332 0.1592 -1
48 100 0.000000073 9.95 16
48 102 0.000000056 10.32 16
48 103 438 -0.813 5
48 105 3360 -0.73932 5
48 106 0.0000073 0.82 4
48 107 23400 -0.615055411 5
48 108 0.0000068 0.72 4
48 109 39139200 -0.827846115 5
48 110 0.000005 0.5711 4
48 111 0 -0.59488618 1
48 112 0.0000062 0.62 4
48 113 #VALUE! -0.62230099 1
48 114 0.000009 0.5814 4
48 115 192240 -0.648425912 1
48 116 0.000015 0.6014 4
49 104 102 4.442 10
49 105 304.2 5.6755 9
49 106 372 4.9167 14
49 107 #VALUE! 5.5858 9
49 108 3480 4.5613 14
49 109 15120 5.5384 9
49 110 4146 4.3654 4
49 111 244512 5.5037 9
49 112 864 2.823 2
49 113 0 5.52892 9
49 114 71.9 2.81711 2
49 115 #VALUE! 0 9
49 116 14.1 2.78766 2
49 117 2520 5.5194 9
49 118 267 4.2319 10
49 119 144 5.5151 9
49 120 44.4 4.2955 10
49 121 23.1 5.5025 9
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