BMRB: 51673

1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM1(45-67) peptide

Authors

Blokhin, D., Osetrina, D., Yulmetov, A.

Assembly

amyloidogenic SEM1(45-67) peptide

Entity

1. amyloidogenic SEM1(45-67) peptide (polymer, Thiol state: not present), 23 monomers, 2573.727 Da Detail

GQHYSGQKGK QQTESKGSFS IQY

Formula weight

2573.727 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 116, ¹³C: 99, ¹⁵N: 23 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.763	0.004	1
2	1	1	GLY	C	C	169.876	0.011	1
3	1	1	GLY	CA	C	43.230		1
4	1	2	GLN	H	H	8.538	0.011	1
5	1	2	GLN	HA	H	4.213	0.004	1
6	1	2	GLN	HB2	H	1.825	0.016	1
7	1	2	GLN	HG2	H	2.180	0.005	1
8	1	2	GLN	C	C	175.533	0.005	1
9	1	2	GLN	CA	C	55.860	0.035	1
10	1	2	GLN	CB	C	29.798	0.005	1
11	1	2	GLN	CG	C	33.635	0.022	1
12	1	2	GLN	CD	C	180.211		1
13	1	2	GLN	N	N	119.551		1
14	1	3	HIS	H	H	8.583	0.014	1
15	1	3	HIS	HA	H	4.600	0.004	1
16	1	3	HIS	HB2	H	3.104	0.014	2
17	1	3	HIS	HB3	H	3.021	0.007	2
18	1	3	HIS	HD2	H	7.145	0.005	1
19	1	3	HIS	HE1	H	8.497	0.005	1
20	1	3	HIS	C	C	173.812	0.122	1
21	1	3	HIS	CA	C	55.092	0.102	1
22	1	3	HIS	CB	C	29.204	0.012	1
23	1	3	HIS	CG	C	130.843	0.083	1
24	1	3	HIS	CD2	C	120.062	0.034	1
25	1	3	HIS	CE1	C	136.417	0.041	1
26	1	3	HIS	N	N	120.361		1
27	1	4	TYR	H	H	8.343	0.014	1
28	1	4	TYR	HA	H	4.550	0.002	1
29	1	4	TYR	HB2	H	2.912	0.006	2
30	1	4	TYR	HB3	H	2.861	0.007	2
31	1	4	TYR	HD1	H	7.036	0.005	1
32	1	4	TYR	HD2	H	7.036	0.005	1
33	1	4	TYR	C	C	175.603	0.011	1
34	1	4	TYR	CA	C	57.819	0.006	1
35	1	4	TYR	CB	C	39.124	0.006	1
36	1	4	TYR	CG	C	130.284	0.003	1
37	1	4	TYR	CD1	C	133.255	0.003	1
38	1	4	TYR	CD2	C	133.255	0.003	1
39	1	4	TYR	N	N	123.045		1
40	1	5	SER	H	H	8.354	0.013	1
41	1	5	SER	HA	H	4.344	0.009	1
42	1	5	SER	HB2	H	3.736	0.014	1
43	1	5	SER	C	C	174.635	0.101	1
44	1	5	SER	CA	C	58.187	0.062	1
45	1	5	SER	CB	C	63.962	0.094	1
46	1	5	SER	N	N	119.126		1
47	1	6	GLY	H	H	7.718	0.007	1
48	1	6	GLY	HA2	H	3.834	0.006	1
49	1	6	GLY	C	C	174.521		1
50	1	6	GLY	CA	C	45.288	0.025	1
51	1	6	GLY	N	N	110.237		1
52	1	7	GLN	H	H	8.172	0.005	1
53	1	7	GLN	HA	H	4.238	0.007	1
54	1	7	GLN	HB2	H	1.993	0.005	2
55	1	7	GLN	HB3	H	1.865	0.008	2
56	1	7	GLN	HG2	H	2.264	0.005	1
57	1	7	GLN	C	C	176.344	0.017	1
58	1	7	GLN	CA	C	55.917	0.044	1
59	1	7	GLN	CG	C	33.742		1
60	1	7	GLN	CD	C	180.433		1
61	1	7	GLN	N	N	119.804		1
62	1	8	LYS	H	H	8.396	0.003	1
63	1	8	LYS	HA	H	4.214	0.003	1
64	1	8	LYS	HB2	H	1.672	0.005	2
65	1	8	LYS	HB3	H	1.746	0.006	2
66	1	8	LYS	HG2	H	1.324	0.009	2
67	1	8	LYS	HG3	H	1.366	0.002	2
68	1	8	LYS	HD2	H	1.567	0.007	1
69	1	8	LYS	HE2	H	2.894	0.009	1
70	1	8	LYS	C	C	176.809		1
71	1	8	LYS	CA	C	56.069		1
72	1	8	LYS	CB	C	33.064		1
73	1	8	LYS	CG	C	24.833		1
74	1	8	LYS	CE	C	42.208		1
75	1	8	LYS	N	N	123.076		1
76	1	9	GLY	H	H	8.320	0.016	1
77	1	9	GLY	HA2	H	3.868	0.007	1
78	1	9	GLY	C	C	173.993	0.079	1
79	1	9	GLY	CA	C	45.237	0.047	1
80	1	9	GLY	N	N	110.045		1
81	1	10	LYS	H	H	8.110	0.004	1
82	1	10	LYS	HA	H	4.218	0.006	1
83	1	10	LYS	HB2	H	1.731	0.005	2
84	1	10	LYS	HB3	H	1.641	0.004	2
85	1	10	LYS	HG2	H	1.315	0.009	1
86	1	10	LYS	HD2	H	1.579	0.005	1
87	1	10	LYS	HE2	H	2.895	0.003	1
88	1	10	LYS	C	C	176.606		1
89	1	10	LYS	CA	C	56.597	0.156	1
90	1	10	LYS	CB	C	33.093	0.042	1
91	1	10	LYS	CG	C	24.749	0.048	1
92	1	10	LYS	CD	C	29.065	0.01	1
93	1	10	LYS	CE	C	42.192	0.034	1
94	1	10	LYS	N	N	120.866		1
95	1	11	GLN	H	H	8.388	0.004	1
96	1	11	GLN	HA	H	4.225	0.005	1
97	1	11	GLN	HB2	H	1.989	0.003	2
98	1	11	GLN	HB3	H	1.890	0.006	2
99	1	11	GLN	HG2	H	2.263	0.004	1
100	1	11	GLN	C	C	175.971		1
101	1	11	GLN	CA	C	55.969		1
102	1	11	GLN	CB	C	29.845		1
103	1	11	GLN	N	N	121.724		1
104	1	12	GLN	H	H	8.432	0.004	1
105	1	12	GLN	HA	H	4.311	0.003	1
106	1	12	GLN	HB2	H	2.020	0.009	2
107	1	12	GLN	HB3	H	1.901	0.012	2
108	1	12	GLN	HG2	H	2.271	0.004	1
109	1	12	GLN	HE21	H	7.432	0.001	1
110	1	12	GLN	HE22	H	6.775	0.004	1
111	1	12	GLN	C	C	175.958	0.02	1
112	1	12	GLN	CA	C	55.951	0.045	1
113	1	12	GLN	CB	C	29.581	0.097	1
114	1	12	GLN	CG	C	33.758	0.029	1
115	1	12	GLN	CD	C	180.438	0.011	1
116	1	12	GLN	N	N	122.226		1
117	1	12	GLN	NE2	N	112.286	0.011	1
118	1	13	THR	H	H	8.159	0.012	1
119	1	13	THR	HA	H	4.251	0.009	1
120	1	13	THR	HB	H	4.113	0.005	1
121	1	13	THR	HG21	H	1.110	0.005	1
122	1	13	THR	HG22	H	1.110	0.005	1
123	1	13	THR	HG23	H	1.110	0.005	1
124	1	13	THR	C	C	174.439		1
125	1	13	THR	CA	C	61.987	0.017	1
126	1	13	THR	CB	C	69.824	0.036	1
127	1	13	THR	CG2	C	21.627		1
128	1	13	THR	N	N	115.807		1
129	1	14	GLU	H	H	8.351	0.004	1
130	1	14	GLU	HB2	H	2.029	0.012	2
131	1	14	GLU	HB3	H	1.884	0.005	2
132	1	14	GLU	HG2	H	2.340	0.015	1
133	1	14	GLU	C	C	176.000	0.083	1
134	1	14	GLU	CA	C	55.809		1
135	1	14	GLU	CB	C	29.276	0.133	1
136	1	14	GLU	CG	C	33.385	0.075	1
137	1	14	GLU	CD	C	180.437	0.053	1
138	1	14	GLU	N	N	122.987		1
139	1	15	SER	H	H	8.310	0.013	1
140	1	15	SER	HA	H	4.359	0.007	1
141	1	15	SER	HB2	H	3.771	0.006	1
142	1	15	SER	C	C	174.525	0.024	1
143	1	15	SER	CA	C	58.369		1
144	1	15	SER	CB	C	63.908	0.005	1
145	1	15	SER	N	N	117.444		1
146	1	16	LYS	H	H	8.371	0.003	1
147	1	16	LYS	HA	H	4.250	0.005	1
148	1	16	LYS	HB2	H	1.780	0.009	2
149	1	16	LYS	HB3	H	1.686	0.011	2
150	1	16	LYS	HG2	H	1.335	0.003	2
151	1	16	LYS	HG3	H	1.373	0.001	2
152	1	16	LYS	HD2	H	1.587	0.003	1
153	1	16	LYS	HE2	H	2.896	0.003	1
154	1	16	LYS	HZ1	H	7.429	0.002	1
155	1	16	LYS	HZ2	H	7.429	0.002	1
156	1	16	LYS	HZ3	H	7.429	0.002	1
157	1	16	LYS	C	C	176.915		1
158	1	16	LYS	CA	C	56.593		1
159	1	16	LYS	CB	C	32.986	0.002	1
160	1	16	LYS	CG	C	24.670	0.029	1
161	1	16	LYS	CD	C	29.066		1
162	1	16	LYS	N	N	123.395		1
163	1	17	GLY	H	H	8.310	0.004	1
164	1	17	GLY	HA2	H	3.857	0.008	1
165	1	17	GLY	C	C	173.929	0.064	1
166	1	17	GLY	CA	C	45.260		1
167	1	17	GLY	N	N	109.870		1
168	1	18	SER	H	H	8.041	0.01	1
169	1	18	SER	HA	H	4.326	0.005	1
170	1	18	SER	HB2	H	3.684	0.004	1
171	1	18	SER	C	C	174.217	0.105	1
172	1	18	SER	CA	C	58.328		1
173	1	18	SER	CB	C	63.856		1
174	1	18	SER	N	N	115.537		1
175	1	19	PHE	H	H	8.141	0.003	1
176	1	19	PHE	HA	H	4.604	0.008	1
177	1	19	PHE	HB2	H	3.083	0.007	2
178	1	19	PHE	HB3	H	2.945	0.005	2
179	1	19	PHE	HD1	H	7.164	0.004	1
180	1	19	PHE	HD2	H	7.164	0.004	1
181	1	19	PHE	C	C	175.444	0.036	1
182	1	19	PHE	CA	C	57.649	0.042	1
183	1	19	PHE	CB	C	39.770		1
184	1	19	PHE	CG	C	138.854	0.016	1
185	1	19	PHE	CD1	C	131.907	0.017	1
186	1	19	PHE	CD2	C	131.907	0.017	1
187	1	19	PHE	N	N	121.696		1
188	1	20	SER	H	H	8.076	0.008	1
189	1	20	SER	HA	H	4.353	0.004	1
190	1	20	SER	HB2	H	3.693	0.005	1
191	1	20	SER	C	C	173.808	0.074	1
192	1	20	SER	CA	C	58.112		1
193	1	20	SER	CB	C	63.942	0.042	1
194	1	20	SER	N	N	117.336		1
195	1	21	ILE	H	H	7.988	0.01	1
196	1	21	ILE	HA	H	4.015	0.005	1
197	1	21	ILE	HB	H	1.668	0.004	1
198	1	21	ILE	HG12	H	1.322	0.004	2
199	1	21	ILE	HG13	H	1.020	0.004	2
200	1	21	ILE	HG21	H	0.642	0.004	1
201	1	21	ILE	HG22	H	0.642	0.004	1
202	1	21	ILE	HG23	H	0.642	0.004	1
203	1	21	ILE	HD11	H	0.759	0.003	1
204	1	21	ILE	HD12	H	0.759	0.003	1
205	1	21	ILE	HD13	H	0.759	0.003	1
206	1	21	ILE	C	C	175.430	0.002	1
207	1	21	ILE	CA	C	61.149	0.047	1
208	1	21	ILE	CB	C	38.884	0.005	1
209	1	21	ILE	CG1	C	27.360	0.024	1
210	1	21	ILE	CG2	C	17.331	0.038	1
211	1	21	ILE	CD1	C	13.012		1
212	1	21	ILE	N	N	122.606		1
213	1	22	GLN	H	H	8.182	0.008	1
214	1	22	GLN	HA	H	4.229	0.004	1
215	1	22	GLN	HB2	H	1.916	0.001	2
216	1	22	GLN	HB3	H	1.792	0.007	2
217	1	22	GLN	HG2	H	2.177	0.003	1
218	1	22	GLN	C	C	174.766	0.002	1
219	1	22	GLN	CA	C	55.755	0.127	1
220	1	22	GLN	CB	C	29.865	0.006	1
221	1	22	GLN	CG	C	33.549		1
222	1	22	GLN	CD	C	180.390		1
223	1	22	GLN	N	N	124.352		1
224	1	23	TYR	H	H	7.940	0.014	1
225	1	23	TYR	HA	H	4.407	0.006	1
226	1	23	TYR	HB2	H	3.030	0.007	2
227	1	23	TYR	HB3	H	2.793	0.006	2
228	1	23	TYR	HD1	H	7.028	0.004	1
229	1	23	TYR	HD2	H	7.028	0.004	1
230	1	23	TYR	CA	C	58.257	0.064	1
231	1	23	TYR	CB	C	39.044	0.043	1
232	1	23	TYR	CG	C	131.373		1
233	1	23	TYR	CD1	C	133.083	0.02	1
234	1	23	TYR	CD2	C	133.083	0.02	1
235	1	23	TYR	CE1	C	118.144		1
236	1	23	TYR	CE2	C	118.144		1
237	1	23	TYR	CZ	C	156.998		1
238	1	23	TYR	N	N	125.028		1

Release date

2022-10-26

Citation

Extent of N-Terminus Folding of Semenogelin 1 Cleavage Product Determines Tendency to Amyloid Formation
Osetrina, D.A., Kusova, A.M., Bikmullin, A.G., Klochkova, E.A., Yulmetov, A.R., Semenova, E.A., Mukhametzyanov, T.A., Usachev, K.S., Klochkov, V.V., Blokhin, D.S.
Int. J. Mol. Sci. (2023), 24, 8949-8949, PubMed 37240295 , DOI 10.3390/ijms24108949 , Abstract

Related entities 1. amyloidogenic SEM1(45-67) peptide, : 2 : 13 entities Detail

Interaction partners 1. amyloidogenic SEM1(45-67) peptide, : 6 interactors Detail

Experiments performed 7 experiments Detail