BMRB: 21066

Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZ conformation.

Authors

Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.

Assembly

Beta-Pro ZEZ

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 57, ¹³C: 37 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	UVR	C	C	170.136	0.009
2	1	1	UVR	C21	C	126.490	0.009	3
3	1	1	UVR	C22	C	126.490	0.009	3
4	1	1	UVR	CA	C	62.915	0.009
5	1	1	UVR	CB	C	46.917	0.009
6	1	1	UVR	CD	C	58.550	0.009
7	1	1	UVR	CG	C	32.221	0.009
8	1	1	UVR	H21	H	7.183	0.004	3
9	1	1	UVR	H22	H	7.183	0.004	3
10	1	1	UVR	H31	H	7.256	0.004	3
11	1	1	UVR	H32	H	7.256	0.004	3
12	1	1	UVR	HA	H	4.465	0.004
13	1	1	UVR	HB	H	2.870	0.004
14	1	1	UVR	HD	H	3.658	0.004
15	1	1	UVR	HG1	H	2.017	0.004
16	1	1	UVR	HG2	H	1.686	0.004
17	1	1	UVR	HZ1	H	3.634	0.004	1
18	1	1	UVR	HZ2	H	3.634	0.004	1
19	1	1	UVR	HZ3	H	3.634	0.004	1
20	1	2	UVR	C	C	167.460	0.009
21	1	2	UVR	C1	C	138.546	0.009
22	1	2	UVR	C21	C	127.146	0.009	3
23	1	2	UVR	C22	C	127.146	0.009	3
24	1	2	UVR	C31	C	127.176	0.009	3
25	1	2	UVR	C32	C	127.176	0.009	3
26	1	2	UVR	CA	C	61.945	0.009
27	1	2	UVR	CB	C	46.504	0.009
28	1	2	UVR	CD	C	57.754	0.009
29	1	2	UVR	CG	C	29.881	0.009
30	1	2	UVR	H21	H	7.648	0.004	3
31	1	2	UVR	H22	H	7.648	0.004	3
32	1	2	UVR	H31	H	6.973	0.004	3
33	1	2	UVR	H32	H	6.973	0.004	3
34	1	2	UVR	HA	H	5.242	0.004
35	1	2	UVR	HB	H	3.137	0.004
36	1	2	UVR	HD	H	3.326	0.004
37	1	2	UVR	HG1	H	1.971	0.004
38	1	2	UVR	HG2	H	1.920	0.004
39	1	2	UVR	HZ1	H	3.582	0.004	1
40	1	2	UVR	HZ2	H	3.582	0.004	1
41	1	2	UVR	HZ3	H	3.582	0.004	1
42	1	3	UVR	C	C	170.170	0.009
43	1	3	UVR	C1	C	138.561	0.009
44	1	3	UVR	C21	C	127.312	0.009	3
45	1	3	UVR	C22	C	127.312	0.009	3
46	1	3	UVR	CA	C	64.637	0.009
47	1	3	UVR	CB	C	44.555	0.009
48	1	3	UVR	CD	C	60.138	0.009
49	1	3	UVR	CE	C	173.070	0.009
50	1	3	UVR	CG	C	31.720	0.009
51	1	3	UVR	H21	H	7.395	0.004	3
52	1	3	UVR	H22	H	7.395	0.004	3
53	1	3	UVR	H31	H	7.745	0.004	3
54	1	3	UVR	H32	H	7.745	0.004	3
55	1	3	UVR	HA	H	5.266	0.004
56	1	3	UVR	HB	H	3.107	0.004
57	1	3	UVR	HD	H	5.175	0.004
58	1	3	UVR	HG1	H	2.196	0.004
59	1	3	UVR	HG2	H	2.379	0.004
60	1	3	UVR	HZ1	H	3.849	0.004	1
61	1	3	UVR	HZ2	H	3.849	0.004	1
62	1	3	UVR	HZ3	H	3.849	0.004	1
63	1	4	UVR	C	C	166.882	0.009
64	1	4	UVR	C1	C	137.727	0.009
65	1	4	UVR	C21	C	127.807	0.009	3
66	1	4	UVR	C22	C	127.807	0.009	3
67	1	4	UVR	CA	C	61.481	0.009
68	1	4	UVR	CB	C	48.803	0.009
69	1	4	UVR	CD	C	58.082	0.009
70	1	4	UVR	CG	C	27.479	0.009
71	1	4	UVR	H21	H	7.565	0.004	3
72	1	4	UVR	H22	H	7.565	0.004	3
73	1	4	UVR	H31	H	7.339	0.004	3
74	1	4	UVR	H32	H	7.339	0.004	3
75	1	4	UVR	HA	H	4.731	0.004
76	1	4	UVR	HB	H	2.335	0.004
77	1	4	UVR	HD	H	3.451	0.004
78	1	4	UVR	HG1	H	2.007	0.004
79	1	4	UVR	HG2	H	1.926	0.004
80	1	4	UVR	HZ1	H	3.585	0.004	1
81	1	4	UVR	HZ2	H	3.585	0.004	1
82	1	4	UVR	HZ3	H	3.585	0.004	1
83	1	4	UVR	CT1	C	26.999	0.009	1
84	1	4	UVR	CT2	C	26.999	0.009	1
85	1	4	UVR	CT3	C	26.999	0.009	1
86	1	4	UVR	HT11	H	1.098	0.004	1
87	1	4	UVR	HT12	H	1.098	0.004	1
88	1	4	UVR	HT13	H	1.098	0.004	1
89	1	4	UVR	HT21	H	1.098	0.004	1
90	1	4	UVR	HT22	H	1.098	0.004	1
91	1	4	UVR	HT23	H	1.098	0.004	1
92	1	4	UVR	HT31	H	1.098	0.004	1
93	1	4	UVR	HT32	H	1.098	0.004	1
94	1	4	UVR	HT33	H	1.098	0.004	1

Release date

2016-05-21

Citation 1

Theoretical and NMR Conformational Studies of β-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units
Mantsyzov, A.B., Savelyev, O.Y., Ivantcova, P.M., Brase, S., Kudryavtsev, K.V., Polshakov, V.I.
Front. Chem. (2018), 6, 91-91, PubMed 29644215 , DOI 10.3389/fchem.2018.00091 , Abstract

Show more 2 citaions

Citation 2

Structural Studies and Anticancer Activity of a Novel Class of beta- Peptides
Kudryavtsev, K.V., Yu, C., Ivantcova, P.M., Polshakov, V.I., Churakov, A.V., Brase, S., Zefirov, N.S., Guh, J.
Chem Asian J (2015), 10, 383-389

Citation 3

Alternating asymmetric self-induction in functionalized pyrrolidine oligomers
Kudryavtsev, K.V., Ivantcova, P.M., Churakov, A.V., Wiedmann, S., Luy, B., Muhle-Goll, C., Zefirov, N.S., Brase, S.
Angew. Chem Int Ed Engl. (2013), 52, 12736-12740, PubMed 24123659 , DOI 10.1002/anie.201302862 , Abstract

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Entries sharing articles BMRB: 9 entries Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail