17924 [cm]	d13Corg vs.PDB
0	-20.34
10	-20.5
20	-20.41
30	-20.24
40	-20.31
50	-20.17
60	-20.29
70	-20.43
80	-20.33
90	-19.98
100	-19.87
110	-19.89
120	-19.89
130	-19.89
140	-19.79
150	-19.57
160	-19.57
170	-19.63
180	-19.6
190	-20.76
200	-19.49
210	-19.72
220	-19.56
230	-19.8
240	-19.6
250	-19.82
260	-19.86
270	-19.75
280	-19.51
290	-19.52
300	-19.52
310	-19.62
320	-19.46
330	-19.76
340	-19.43
350	-19.55
360	-19.52
370	-19.48
380	-19.48
390	-19.35
400	-19.58
410	-19.49
420	-19.6
430	-19.52
440	-19.53
450	-19.64
460	-19.68
470	-19.78
480	-19.61
490	-19.79
500	-19.77
510	-19.84
520	-19.86
530	-19.84
540	-19.95
550	-19.88
560	-19.88
570	-20.08
580	-20.01
590	-19.98
610	-19.82
620	-19.53
630	-19.73
640	-19.77
650	-19.8
660	-20.02
670	-19.74
680	-19.75
690	-20.05
700	-19.97
710	-20.05
720	-20.14
730	-20.15
740	-20.2
750	-20.42
770	-20.49
780	-20.28
790	-20.14
800	-20.12
810	-20.26
820	-20.43
830	-20.38
840	-20.39
850	-20.64
860	-20.38
870	-20.5
880	-20.32
900	-20.35
910	-20.48
920	-20.54
930	-20.47
940	-20.18
950	-20.45
970	-20.34
980	-20.24
990	-20.33
1000	-20.52
1010	-20.48
1020	-20.62
1030	-20.66
1040	-20.88
1050	-21.13
1060	-20.88
1070	-21
1080	-20.79
1090	-21.01
1100	-20.88
1110	-21.55
1120	-21.03
1130	-21.17
1140	-21.03
1150	-21.53
1160	-22.08
1170	-21.44
1180	-21.13
1190	-21.1
1200	-21.16
1210	-21.16
1220	-21.15
1230	-20.82
1240	-21.04
1250	-20.86
1260	-20.88
1270	-21.07
1280	-20.77
1290	-21.26
1300	-20.74
1310	-20.84
1320	-20.98
1330	-21.11
1340	-20.95
1350	-21.06
1360	-20.91
1380	-20.79
1390	-20.94
1400	-20.7
1410	-20.98
1420	-20.96
1430	-20.97
1440	-21.1
1450	-21.37
1460	-21.16
1470	-21.38
1480	-21.29
1490	-21.16
1510	-20.9
1520	-20.91
1530	-20.84
1540	-20.79
1550	-20.95
1560	-20.99
1570	-20.89
1590	-21
1600	-21.07
1610	-21.15
1620	-21.06
1640	-21.19
1650	-21.41
1660	-21.26
1670	-21.28
1680	-21.32
1690	-21
1700	-21.15
1710	-21.01
1720	-20.95
1730	-21.07
1740	-21.39
1750	-21.29
1760	-21.46
1780	-21.05
1790	-20.97
1800	-20.92
1810	-21.07
1820	-21.24
1830	-20.94
1840	-20.83
1850	-20.96
1870	-20.71
1880	-20.51
1890	-20.68
1900	-20.66
1910	-20.64
1920	-20.64
1930	-20.63
1940	-20.69
1950	-20.64
1960	-20.68