BMRB: 31047

NMR structure of the solution of a mastoparan-like peptide, computationally designed mastoparan-R4

Authors

Freitas, C.D.P., Oshiro, K.G.N., Macedo, M.L.R., Cardoso, M.H., Franco, O.L., Liao, L.M.

Assembly

Mastoparan-R4 peptide

Entity

1. Mastoparan-R4 peptide (polymer, Thiol state: not present), 15 monomers, 1635.114 Da Detail

INLKKLAARI KKKIX

Formula weight

1635.114 Da

Source organism

Vespula lewisii

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 118, ¹³C: 50 assignments Detail

Download

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ILE	HA	H	3.954	0.0	1
2	1	1	ILE	HG21	H	1.001	0.0	1
3	1	1	ILE	HG22	H	1.001	0.0	1
4	1	1	ILE	HG23	H	1.001	0.0	1
5	1	1	ILE	HD11	H	0.945	0.0	1
6	1	1	ILE	HD12	H	0.945	0.0	1
7	1	1	ILE	HD13	H	0.945	0.0	1
8	1	1	ILE	CG2	C	16.489		1
9	1	1	ILE	CD1	C	14.013		1
10	1	2	ASN	H	H	8.566	0.0	1
11	1	2	ASN	HA	H	5.013	0.001	1
12	1	2	ASN	HB2	H	2.776	0.0	2
13	1	2	ASN	HB3	H	3.049	0.0	2
14	1	2	ASN	HD21	H	7.741	0.0	1
15	1	2	ASN	HD22	H	6.919	0.0	1
16	1	2	ASN	CA	C	52.159		1
17	1	3	LEU	H	H	8.695	0.0	1
18	1	3	LEU	HA	H	4.100	0.0	1
19	1	3	LEU	HB2	H	1.827	0.0	2
20	1	3	LEU	HB3	H	1.827	0.0	2
21	1	3	LEU	HD11	H	0.900	0.0	2
22	1	3	LEU	HD12	H	0.900	0.0	2
23	1	3	LEU	HD13	H	0.900	0.0	2
24	1	3	LEU	HD21	H	1.015	0.0	2
25	1	3	LEU	HD22	H	1.015	0.0	2
26	1	3	LEU	HD23	H	1.015	0.0	2
27	1	3	LEU	CA	C	58.303		1
28	1	3	LEU	CB	C	41.585		1
29	1	3	LEU	CD1	C	23.568		2
30	1	3	LEU	CD2	C	25.579		2
31	1	4	LYS	H	H	8.148	0.0	1
32	1	4	LYS	HA	H	3.952	0.0	1
33	1	4	LYS	HB2	H	1.927	0.0	2
34	1	4	LYS	HB3	H	1.927	0.0	2
35	1	4	LYS	HG2	H	1.415	0.0	2
36	1	4	LYS	HG3	H	1.415	0.0	2
37	1	4	LYS	HD2	H	1.671	0.0	2
38	1	4	LYS	HD3	H	1.671	0.0	2
39	1	4	LYS	HE2	H	3.037	0.0	1
40	1	4	LYS	HE3	H	3.037	0.0	1
41	1	4	LYS	CA	C	60.206		1
42	1	4	LYS	CB	C	32.310		1
43	1	4	LYS	CG	C	25.687		1
44	1	4	LYS	CE	C	42.123		1
45	1	5	LYS	H	H	7.782	0.0	1
46	1	5	LYS	HA	H	4.050	0.0	1
47	1	5	LYS	HB2	H	1.866	0.0	2
48	1	5	LYS	HB3	H	1.944	0.0	2
49	1	5	LYS	HG2	H	1.495	0.0	2
50	1	5	LYS	HG3	H	1.495	0.0	2
51	1	5	LYS	HD2	H	1.723	0.0	2
52	1	5	LYS	HD3	H	1.723	0.0	2
53	1	5	LYS	HE2	H	3.011	0.0	2
54	1	5	LYS	HE3	H	3.011	0.0	2
55	1	5	LYS	CA	C	58.969		1
56	1	5	LYS	CB	C	32.342	0.0	1
57	1	5	LYS	CG	C	24.972		1
58	1	5	LYS	CD	C	29.239		1
59	1	5	LYS	CE	C	42.127		1
60	1	6	LEU	H	H	7.871	0.0	1
61	1	6	LEU	HA	H	4.141	0.004	1
62	1	6	LEU	HB2	H	1.829	0.0	2
63	1	6	LEU	HB3	H	1.829	0.0	2
64	1	6	LEU	HD11	H	0.935	0.0	2
65	1	6	LEU	HD12	H	0.935	0.0	2
66	1	6	LEU	HD13	H	0.935	0.0	2
67	1	6	LEU	HD21	H	0.999	0.0	2
68	1	6	LEU	HD22	H	0.999	0.0	2
69	1	6	LEU	HD23	H	0.999	0.0	2
70	1	6	LEU	CA	C	57.959		1
71	1	6	LEU	CB	C	41.648		1
72	1	6	LEU	CD1	C	25.524		2
73	1	6	LEU	CD2	C	23.985		2
74	1	7	ALA	H	H	8.533	0.0	1
75	1	7	ALA	HA	H	3.935	0.001	1
76	1	7	ALA	HB1	H	1.532	0.001	1
77	1	7	ALA	HB2	H	1.532	0.001	1
78	1	7	ALA	HB3	H	1.532	0.001	1
79	1	7	ALA	CA	C	55.380		1
80	1	7	ALA	CB	C	18.244		1
81	1	8	ALA	H	H	7.902	0.0	1
82	1	8	ALA	HA	H	4.072	0.001	1
83	1	8	ALA	HB1	H	1.554	0.0	1
84	1	8	ALA	HB2	H	1.554	0.0	1
85	1	8	ALA	HB3	H	1.554	0.0	1
86	1	8	ALA	CA	C	55.175		1
87	1	8	ALA	CB	C	18.221		1
88	1	9	ARG	H	H	7.872	0.0	1
89	1	9	ARG	HA	H	4.083	0.0	1
90	1	9	ARG	HB2	H	2.102	0.0	2
91	1	9	ARG	HB3	H	2.102	0.0	2
92	1	9	ARG	HG2	H	1.687	0.0	2
93	1	9	ARG	HG3	H	1.687	0.0	2
94	1	9	ARG	HD2	H	3.193	0.001	2
95	1	9	ARG	HD3	H	3.193	0.001	2
96	1	9	ARG	HE	H	7.335	0.0	1
97	1	9	ARG	CA	C	58.860		1
98	1	9	ARG	CB	C	30.402		1
99	1	9	ARG	CG	C	27.703		1
100	1	9	ARG	CD	C	43.768		1
101	1	10	ILE	H	H	8.119	0.0	1
102	1	10	ILE	HA	H	3.623	0.0	1
103	1	10	ILE	HB	H	2.000	0.0	1
104	1	10	ILE	HG12	H	1.061	0.0	2
105	1	10	ILE	HG13	H	1.061	0.0	2
106	1	10	ILE	HG21	H	0.920	0.0	1
107	1	10	ILE	HG22	H	0.920	0.0	1
108	1	10	ILE	HG23	H	0.920	0.0	1
109	1	10	ILE	HD11	H	0.845	0.0	1
110	1	10	ILE	HD12	H	0.845	0.0	1
111	1	10	ILE	HD13	H	0.845	0.0	1
112	1	10	ILE	CA	C	59.602	0.001	1
113	1	10	ILE	CB	C	39.115		1
114	1	10	ILE	CG1	C	31.280		1
115	1	10	ILE	CG2	C	17.803		1
116	1	10	ILE	CD1	C	13.562		1
117	1	11	LYS	H	H	8.523	0.0	1
118	1	11	LYS	HA	H	3.874	0.0	1
119	1	11	LYS	HB2	H	1.990	0.001	2
120	1	11	LYS	HB3	H	1.870	0.0	2
121	1	11	LYS	HG2	H	1.468	0.0	2
122	1	11	LYS	HG3	H	1.468	0.0	2
123	1	11	LYS	HD2	H	1.701	0.0	2
124	1	11	LYS	HD3	H	1.701	0.0	2
125	1	11	LYS	CA	C	59.859		1
126	1	11	LYS	CB	C	32.368	0.0	1
127	1	11	LYS	CG	C	25.022		1
128	1	11	LYS	CD	C	29.298		1
129	1	12	LYS	H	H	7.740	0.0	1
130	1	12	LYS	HA	H	4.062	0.0	1
131	1	12	LYS	HB2	H	1.944	0.0	2
132	1	12	LYS	HB3	H	1.944	0.0	2
133	1	12	LYS	HG2	H	1.543	0.0	1
134	1	12	LYS	HG3	H	1.543	0.0	1
135	1	12	LYS	HD2	H	1.727	0.0	2
136	1	12	LYS	HD3	H	1.727	0.0	2
137	1	12	LYS	CA	C	58.810		1
138	1	12	LYS	CB	C	32.448		1
139	1	12	LYS	CG	C	25.156	0.0	1
140	1	12	LYS	CD	C	29.397		1
141	1	13	LYS	H	H	7.660	0.0	1
142	1	13	LYS	HA	H	4.255	0.0	1
143	1	13	LYS	HB2	H	2.017	0.0	2
144	1	13	LYS	HB3	H	2.017	0.0	2
145	1	13	LYS	HG2	H	1.509	0.0	2
146	1	13	LYS	HG3	H	1.509	0.0	2
147	1	13	LYS	HD2	H	1.729	0.0	2
148	1	13	LYS	HD3	H	1.729	0.0	2
149	1	13	LYS	HE2	H	3.001	0.0	2
150	1	13	LYS	HE3	H	3.001	0.0	2
151	1	13	LYS	CA	C	57.211		1
152	1	13	LYS	CB	C	32.394		1
153	1	13	LYS	CG	C	25.105		1
154	1	13	LYS	CD	C	29.295		1
155	1	13	LYS	CE	C	42.167		1
156	1	14	ILE	H	H	7.894	0.0	1
157	1	14	ILE	HA	H	4.046	0.0	1
158	1	14	ILE	HB	H	1.967	0.0	1
159	1	14	ILE	HG21	H	0.980	0.0	1
160	1	14	ILE	HG22	H	0.980	0.0	1
161	1	14	ILE	HG23	H	0.980	0.0	1
162	1	14	ILE	HD11	H	0.861	0.0	1
163	1	14	ILE	HD12	H	0.861	0.0	1
164	1	14	ILE	HD13	H	0.861	0.0	1
165	1	14	ILE	CA	C	62.422		1
166	1	14	ILE	CB	C	38.698		1
167	1	14	ILE	CG2	C	17.691		1
168	1	14	ILE	CD1	C	13.584		1

Release date

2022-10-13

Citation

NMR structure of the solution of a mastoparan-like peptide, computationally designed mastoparan-R4
Freitas, C.D.P., Oshiro, K.G.N., Macedo, M.L.R., Cardoso, M.H., Franco, O.L., Liao, L.M.

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail