BMRB: 31096

Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)

Authors

McShan, A.C., Torres, M.P.

Assembly

Designed peptide PH1

Entity

1. Designed peptide PH1 (polymer), 16 monomers, 1866.146 Da Detail

WHMWNTVPNA KQVIAA

Formula weight

1866.146 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 62, ¹³C: 32, ¹⁵N: 15 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	TRP	H	H	7.982
2	1	1	TRP	HA	H	4.111
3	1	1	TRP	HB2	H	2.512
4	1	1	TRP	HB3	H	2.512
5	1	1	TRP	CA	C	54.468
6	1	1	TRP	CB	C	28.836
7	1	1	TRP	N	N	121.084
8	1	2	HIS	H	H	7.966
9	1	2	HIS	HA	H	4.632
10	1	2	HIS	HB2	H	3.238
11	1	2	HIS	HB3	H	3.238
12	1	2	HIS	CA	C	56.951
13	1	2	HIS	CB	C	29.199
14	1	2	HIS	N	N	121.042
15	1	3	MET	H	H	8.358
16	1	3	MET	HA	H	4.212
17	1	3	MET	HB2	H	2.293
18	1	3	MET	HB3	H	2.293
19	1	3	MET	CA	C	56.500
20	1	3	MET	CB	C	33.757
21	1	3	MET	N	N	120.213
22	1	4	TRP	H	H	8.344
23	1	4	TRP	HA	H	4.375
24	1	4	TRP	HB2	H	3.064
25	1	4	TRP	HB3	H	3.064
26	1	4	TRP	CA	C	58.016
27	1	4	TRP	CB	C	29.423
28	1	4	TRP	N	N	127.952
29	1	5	ASN	H	H	8.216
30	1	5	ASN	HA	H	4.625
31	1	5	ASN	HB2	H	2.520
32	1	5	ASN	HB3	H	2.520
33	1	5	ASN	CA	C	53.176
34	1	5	ASN	CB	C	38.580
35	1	5	ASN	N	N	120.200
36	1	6	THR	H	H	8.071
37	1	6	THR	HA	H	4.260
38	1	6	THR	HB	H	4.117
39	1	6	THR	CA	C	61.904
40	1	6	THR	CB	C	69.892
41	1	6	THR	N	N	114.650
42	1	7	VAL	H	H	8.368
43	1	7	VAL	HA	H	4.000
44	1	7	VAL	HB	H	1.988
45	1	7	VAL	CA	C	62.709
46	1	7	VAL	CB	C	32.691
47	1	7	VAL	N	N	123.493
48	1	8	PRO	HA	H	4.308
49	1	8	PRO	HB2	H	2.196
50	1	8	PRO	HB3	H	2.196
51	1	8	PRO	CA	C	63.231
52	1	8	PRO	CB	C	32.103
53	1	9	ASN	H	H	8.592
54	1	9	ASN	HA	H	4.552
55	1	9	ASN	HB2	H	2.766
56	1	9	ASN	HB3	H	2.766
57	1	9	ASN	CA	C	53.231
58	1	9	ASN	CB	C	38.645
59	1	9	ASN	N	N	119.216
60	1	10	ALA	H	H	8.515
61	1	10	ALA	HA	H	4.227
62	1	10	ALA	HB1	H	1.347
63	1	10	ALA	HB2	H	1.347
64	1	10	ALA	HB3	H	1.347
65	1	10	ALA	CA	C	52.456
66	1	10	ALA	CB	C	19.025
67	1	10	ALA	N	N	129.334
68	1	11	LYS	H	H	8.366
69	1	11	LYS	HA	H	4.242
70	1	11	LYS	HB2	H	1.718
71	1	11	LYS	HB3	H	1.718
72	1	11	LYS	CA	C	55.895
73	1	11	LYS	CB	C	32.766
74	1	11	LYS	N	N	122.275
75	1	12	GLN	H	H	8.064
76	1	12	GLN	HA	H	4.111
77	1	12	GLN	HB2	H	1.797
78	1	12	GLN	HB3	H	1.797
79	1	12	GLN	CA	C	55.671
80	1	12	GLN	CB	C	32.211
81	1	12	GLN	N	N	120.484
82	1	13	VAL	H	H	8.287
83	1	13	VAL	HA	H	4.347
84	1	13	VAL	HB	H	2.051
85	1	13	VAL	CA	C	60.038
86	1	13	VAL	CB	C	32.515
87	1	13	VAL	N	N	124.627
88	1	14	ILE	H	H	8.385
89	1	14	ILE	HA	H	4.075
90	1	14	ILE	HB	H	1.779
91	1	14	ILE	CA	C	60.951
92	1	14	ILE	CB	C	38.451
93	1	14	ILE	N	N	126.400
94	1	15	ALA	H	H	8.347
95	1	15	ALA	HA	H	4.185
96	1	15	ALA	HB1	H	1.359
97	1	15	ALA	HB2	H	1.359
98	1	15	ALA	HB3	H	1.359
99	1	15	ALA	CA	C	52.342
100	1	15	ALA	CB	C	19.387
101	1	15	ALA	N	N	124.700
102	1	16	ALA	H	H	8.356
103	1	16	ALA	HA	H	4.218
104	1	16	ALA	HB1	H	1.360
105	1	16	ALA	HB2	H	1.360
106	1	16	ALA	HB3	H	1.360
107	1	16	ALA	CA	C	52.943
108	1	16	ALA	CB	C	19.222
109	1	16	ALA	N	N	124.692

Release date

2023-09-14

Citation

Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
McShan, A.C., Torres, M.P.

Related entities 1. Designed peptide PH1, : 1 entities Detail

Experiments performed 4 experiments Detail