number	atom	shift
1	C	91.857
2	C	73.137
4	C	49.806
5	C	89.171
7	C	102.253
8	C	34.041
9	N	41.552
11	C	44.800
13	C	67.772
14	C	93.915
15	N	40.137
16	C	81.623
17	C	50.599
20	C	73.850
21	C	81.103
22	C	66.610
23	N	34.051
24	C	70.570
25	C	72.665
29	C	75.534
30	C	41.092
33	N	29.763
34	H	3.756
35	H	4.822
36	H	3.645
37	H	4.217
38	H	7.943
39	H	6.737
40	H	1.689
41	H	3.456
42	H	2.532
43	H	0.013
44	H	3.837
45	H	3.603
46	H	6.389
47	H	-0.209
48	H	2.725
49	H	4.907
50	H	4.054
51	H	4.333
52	H	4.503
53	H	3.104
54	H	4.418
55	H	4.128
56	H	2.295
57	H	-0.097
58	H	5.712
59	H	5.126
60	H	2.172
61	H	0.511
62	H	0.150
63	H	3.740
64	H	3.536
65	H	3.555
66	H	2.197
67	H	0.464
68	H	2.514
69	H	1.536