BMRB: 6039

NMR Structure of a D,L-Alternating Dodecamer of Norleucine

Authors

Navarro, E., Celda, B.

Assembly

BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER

Entity

1. BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER (polymer, Thiol state: not present), 12 monomers, 1389.934 Da

Formula weight

1389.934 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 72, ¹³C: 12 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	DNE	H	H	6.35		1
2	1	1	DNE	HA	H	4.20		1
3	1	1	DNE	HB2	H	1.63		1
4	1	1	DNE	HG2	H	2.04		1
5	1	1	DNE	HD2	H	1.36		1
6	1	1	DNE	HE1	H	0.90		1
7	1	1	DNE	CA	C	52.988		1
8	1	2	NLE	H	H	6.94		1
9	1	2	NLE	HA	H	4.54		1
10	1	2	NLE	HB2	H	1.74		1
11	1	2	NLE	HG2	H	1.64		1
12	1	2	NLE	HD2	H	1.35		1
13	1	2	NLE	HE1	H	0.88		1
14	1	2	NLE	CA	C	51.951		1
15	1	3	DNE	H	H	8.24		1
16	1	3	DNE	HA	H	4.48		1
17	1	3	DNE	HB2	H	1.68		1
18	1	3	DNE	HG2	H	1.95		1
19	1	3	DNE	HD2	H	1.34		1
20	1	3	DNE	HE1	H	0.90		1
21	1	3	DNE	CA	C	50.700		1
22	1	4	NLE	H	H	6.64		1
23	1	4	NLE	HA	H	4.50		1
24	1	4	NLE	HB2	H	1.56		1
25	1	4	NLE	HG2	H	1.72		1
26	1	4	NLE	HD2	H	1.26		1
27	1	4	NLE	HE1	H	0.85		1
28	1	4	NLE	CA	C	51.992		1
29	1	5	DNE	H	H	8.43		1
30	1	5	DNE	HA	H	4.35		1
31	1	5	DNE	HB2	H	1.70		1
32	1	5	DNE	HG2	H	1.67		1
33	1	5	DNE	HD2	H	1.22		1
34	1	5	DNE	HE1	H	0.90		1
35	1	5	DNE	CA	C	51.204		1
36	1	6	NLE	H	H	7.98		1
37	1	6	NLE	HA	H	4.35		1
38	1	6	NLE	HB2	H	1.83		1
39	1	6	NLE	HG2	H	1.75		1
40	1	6	NLE	HD2	H	1.35		1
41	1	6	NLE	HE1	H	0.89		1
42	1	6	NLE	CA	C	53.032		1
43	1	7	DNE	H	H	7.72		1
44	1	7	DNE	HA	H	4.41		1
45	1	7	DNE	HB2	H	1.59		1
46	1	7	DNE	HG2	H	1.72		1
47	1	7	DNE	HD2	H	1.26		1
48	1	7	DNE	HE1	H	0.86		1
49	1	7	DNE	CA	C	51.712		1
50	1	8	NLE	H	H	8.44		1
51	1	8	NLE	HA	H	4.64		1
52	1	8	NLE	HB2	H	1.79		1
53	1	8	NLE	HG2	H	1.57		1
54	1	8	NLE	HD2	H	1.26		1
55	1	8	NLE	HE1	H	0.84		1
56	1	8	NLE	CA	C	48.722		1
57	1	9	DNM	HA	H	5.21		1
58	1	9	DNM	HB2	H	1.61		1
59	1	9	DNM	HG2	H	1.84		1
60	1	9	DNM	HD2	H	1.20		1
61	1	9	DNM	HE1	H	0.86		1
62	1	9	DNM	HC3	H	3.01		1
63	1	9	DNM	CA	C	54.873		1
64	1	10	NLE	H	H	8.21		1
65	1	10	NLE	HA	H	4.37		1
66	1	10	NLE	HB2	H	1.64		1
67	1	10	NLE	HG2	H	1.86		1
68	1	10	NLE	HD2	H	1.26		1
69	1	10	NLE	HE1	H	0.86		1
70	1	10	NLE	CA	C	53.028		1
71	1	11	DNE	H	H	6.99		1
72	1	11	DNE	HA	H	4.58		1
73	1	11	DNE	HB2	H	1.73		1
74	1	11	DNE	HG2	H	1.86		1
75	1	11	DNE	HD2	H	1.31		1
76	1	11	DNE	HE1	H	0.88		1
77	1	11	DNE	CA	C	52.435		1
78	1	12	NLE	H	H	7.45		1
79	1	12	NLE	HA	H	4.45		1
80	1	12	NLE	HB2	H	1.68		1
81	1	12	NLE	HG2	H	1.82		1
82	1	12	NLE	HD2	H	1.30		1
83	1	12	NLE	HE1	H	0.88		1
84	1	12	NLE	CA	C	51.536		1

Release date

2005-11-20

Citation

Solution NMR structure of a D,L-alternating oligonorleucine as a model of beta-helix
Navarro, E., Tejero, R., Fenude, E., Celda, B.
Biopolymers (2001), 59, 110-119, PubMed 11373724 , DOI 10.1002/1097-0282(200108)59:2<110::AID-BIP1010>3.0.CO;2-S , Abstract

Experiments performed 3 experiments Detail