BMRB: 34785

SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ

Authors

Soeldner, B.

Assembly

Spectrin alpha chain, non-erythrocytic 1

Entity

1. Spectrin alpha chain, non-erythrocytic 1 (polymer, Thiol state: not present), 62 monomers, 7219.162 Da Detail

MDETGKELVL ALYDYQEKSP REVTMKKGDI LTLLNSTNKD WWKVEVNDRQ GFVPAAYVKK LD

Formula weight

7219.162 Da

Source organism

Gallus gallus

Exptl. method

solid-state NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 364, ¹³C: 234, ¹⁵N: 57 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	7	GLU	H	H	8.491	0.017	1
2	1	7	GLU	HA	H	4.453	0.056	1
3	1	7	GLU	C	C	167.004	0	1
4	1	7	GLU	CA	C	55.837	0.105	1
5	1	7	GLU	CB	C	30.714	0.132	1
6	1	7	GLU	N	N	120.825	0.099	1
7	1	8	LEU	H	H	8.137	0.011	1
8	1	8	LEU	HA	H	5.467	0.015	1
9	1	8	LEU	HB2	H	1.046	0.016	2
10	1	8	LEU	HB3	H	1.267	0.047	2
11	1	8	LEU	HG	H	1.151	0.021	1
12	1	8	LEU	HD11	H	-0.297	0.025	2
13	1	8	LEU	HD12	H	-0.297	0.025	2
14	1	8	LEU	HD13	H	-0.297	0.025	2
15	1	8	LEU	HD21	H	0.709	0.017	2
16	1	8	LEU	HD22	H	0.709	0.017	2
17	1	8	LEU	HD23	H	0.709	0.017	2
18	1	8	LEU	C	C	169.413	0	1
19	1	8	LEU	CA	C	52.865	0.096	1
20	1	8	LEU	CB	C	45.65	0.304	1
21	1	8	LEU	CG	C	26.191	0.206	1
22	1	8	LEU	CD1	C	22.365	0.13	2
23	1	8	LEU	CD2	C	23.248	0.141	2
24	1	8	LEU	N	N	120.583	0.132	1
25	1	9	VAL	H	H	9.137	0.018	1
26	1	9	VAL	HA	H	5.34	0.021	1
27	1	9	VAL	HB	H	2.129	0.017	1
28	1	9	VAL	HG11	H	0.91	0.011	2
29	1	9	VAL	HG12	H	0.91	0.011	2
30	1	9	VAL	HG13	H	0.91	0.011	2
31	1	9	VAL	HG21	H	1.139	0.017	2
32	1	9	VAL	HG22	H	1.139	0.017	2
33	1	9	VAL	HG23	H	1.139	0.017	2
34	1	9	VAL	C	C	165.137	0	1
35	1	9	VAL	CA	C	57.512	0.098	1
36	1	9	VAL	CB	C	35.557	0.115	1
37	1	9	VAL	CG1	C	20.56	0.175	2
38	1	9	VAL	CG2	C	23.698	0.146	2
39	1	9	VAL	N	N	111.098	0.139	1
40	1	10	LEU	H	H	9.208	0.027	1
41	1	10	LEU	HA	H	5.243	0.012	1
42	1	10	LEU	HB2	H	1.531	0.021	2
43	1	10	LEU	HB3	H	1.971	0.06	2
44	1	10	LEU	HG	H	1.326	0.02	1
45	1	10	LEU	HD11	H	0.942	0.022	2
46	1	10	LEU	HD12	H	0.942	0.022	2
47	1	10	LEU	HD13	H	0.942	0.022	2
48	1	10	LEU	HD21	H	0.966	0.015	2
49	1	10	LEU	HD22	H	0.966	0.015	2
50	1	10	LEU	HD23	H	0.966	0.015	2
51	1	10	LEU	C	C	168.963	0	1
52	1	10	LEU	CA	C	52.609	0.123	1
53	1	10	LEU	CB	C	46.385	0.078	1
54	1	10	LEU	CG	C	27.082	0.058	1
55	1	10	LEU	CD1	C	24.001	0.091	2
56	1	10	LEU	CD2	C	26.463	0.12	2
57	1	10	LEU	N	N	124.009	0.147	1
58	1	11	ALA	H	H	9.516	0.014	1
59	1	11	ALA	HA	H	4.701	0.019	1
60	1	11	ALA	HB1	H	1.777	0.025	1
61	1	11	ALA	HB2	H	1.777	0.025	1
62	1	11	ALA	HB3	H	1.777	0.025	1
63	1	11	ALA	C	C	170.401	0	1
64	1	11	ALA	CA	C	52.589	0.119	1
65	1	11	ALA	CB	C	19.392	0.137	1
66	1	11	ALA	N	N	128.064	0.09	1
67	1	12	LEU	H	H	9.503	0.022	1
68	1	12	LEU	HA	H	3.955	0.018	1
69	1	12	LEU	HB2	H	0.727	0.014	2
70	1	12	LEU	HB3	H	1.373	0.028	2
71	1	12	LEU	HG	H	1.573	0.015	1
72	1	12	LEU	HD11	H	0.749	0.023	2
73	1	12	LEU	HD12	H	0.749	0.023	2
74	1	12	LEU	HD13	H	0.749	0.023	2
75	1	12	LEU	HD21	H	0.876	0.014	2
76	1	12	LEU	HD22	H	0.876	0.014	2
77	1	12	LEU	HD23	H	0.876	0.014	2
78	1	12	LEU	C	C	167.419	0	1
79	1	12	LEU	CA	C	55.752	0.116	1
80	1	12	LEU	CB	C	42.861	0.086	1
81	1	12	LEU	CG	C	26.491	0.103	1
82	1	12	LEU	CD1	C	21.612	0.163	2
83	1	12	LEU	CD2	C	25.422	0.123	2
84	1	12	LEU	N	N	128.35	0.15	1
85	1	13	TYR	H	H	7.193	0.021	1
86	1	13	TYR	HA	H	4.699	0.023	1
87	1	13	TYR	HB2	H	1.962	0.037	2
88	1	13	TYR	HB3	H	3.328	0.011	2
89	1	13	TYR	C	C	166.136	0	1
90	1	13	TYR	CA	C	55.252	0.196	1
91	1	13	TYR	CB	C	43.429	0.217	1
92	1	13	TYR	N	N	110.147	0.089	1
93	1	14	ASP	H	H	8.634	0.023	1
94	1	14	ASP	HA	H	4.745	0.022	1
95	1	14	ASP	HB2	H	2.753	0.021	2
96	1	14	ASP	HB3	H	2.968	0.013	2
97	1	14	ASP	C	C	168.926	0	1
98	1	14	ASP	CA	C	54.673	0.16	1
99	1	14	ASP	CB	C	41.735	0.117	1
100	1	14	ASP	N	N	117.458	0.131	1
101	1	15	TYR	H	H	8.724	0.033	1
102	1	15	TYR	HA	H	4.727	0.016	1
103	1	15	TYR	HB2	H	3.206	0.019	2
104	1	15	TYR	HB3	H	3.206	0.019	2
105	1	15	TYR	C	C	165.167	0	1
106	1	15	TYR	CA	C	60.127	0.164	1
107	1	15	TYR	CB	C	43.511	0.134	1
108	1	15	TYR	N	N	118.456	0.206	1
109	1	16	GLN	H	H	7.881	0.016	1
110	1	16	GLN	HA	H	4.641	0.018	1
111	1	16	GLN	HB2	H	1.906	0.031	2
112	1	16	GLN	HB3	H	1.906	0.031	2
113	1	16	GLN	HG2	H	2.408	0.011	2
114	1	16	GLN	HG3	H	2.408	0.011	2
115	1	16	GLN	C	C	166.539	0	1
116	1	16	GLN	CA	C	54.1	0.161	1
117	1	16	GLN	CB	C	29.065	0.089	1
118	1	16	GLN	CG	C	33.714	0.11	1
119	1	16	GLN	N	N	126.589	0.128	1
120	1	17	GLU	H	H	7.948	0.021	1
121	1	17	GLU	HA	H	4.463	0.025	1
122	1	17	GLU	HB2	H	1.742	0.011	2
123	1	17	GLU	HB3	H	2.102	0.016	2
124	1	17	GLU	HG2	H	2.029	0.017	2
125	1	17	GLU	HG3	H	2.188	0.021	2
126	1	17	GLU	C	C	168.206	0	1
127	1	17	GLU	CA	C	55.832	0.1	1
128	1	17	GLU	CB	C	30.993	0.242	1
129	1	17	GLU	CG	C	34.926	0.172	1
130	1	17	GLU	N	N	122.739	0.108	1
131	1	18	LYS	H	H	8.896	0.026	1
132	1	18	LYS	HA	H	4.603	0.016	1
133	1	18	LYS	HB2	H	2.049	0.022	2
134	1	18	LYS	HB3	H	2.226	0.02	2
135	1	18	LYS	HG2	H	1.615	0.033	2
136	1	18	LYS	HG3	H	1.79	0.033	2
137	1	18	LYS	C	C	167.005	0	1
138	1	18	LYS	CA	C	54.623	0.177	1
139	1	18	LYS	CB	C	33.984	0.109	1
140	1	18	LYS	CG	C	23.962	0.179	1
141	1	18	LYS	CD	C	29.61	0	1
142	1	18	LYS	N	N	120.015	0.347	1
143	1	19	SER	H	H	7.422	0.024	1
144	1	19	SER	HA	H	4.131	0.023	1
145	1	19	SER	HB2	H	3.357	0.02	2
146	1	19	SER	HB3	H	3.526	0.026	2
147	1	19	SER	C	C	165.628	0	1
148	1	19	SER	CA	C	56.589	0.135	1
149	1	19	SER	CB	C	63.38	0.106	1
150	1	19	SER	N	N	111.416	0.12	1
151	1	20	PRO	HA	H	4.528	0.017	1
152	1	20	PRO	HB2	H	2.09	0.016	2
153	1	20	PRO	HB3	H	2.57	0.013	2
154	1	20	PRO	HG2	H	1.43	0.016	2
155	1	20	PRO	HG3	H	1.906	0.012	2
156	1	20	PRO	HD2	H	1.693	0.013	2
157	1	20	PRO	HD3	H	2.717	0.021	2
158	1	20	PRO	C	C	169.452	0	1
159	1	20	PRO	CA	C	65.202	0.137	1
160	1	20	PRO	CB	C	31.626	0.11	1
161	1	20	PRO	CG	C	27.129	0.15	1
162	1	20	PRO	CD	C	49.937	0.08	1
163	1	21	ARG	H	H	8.062	0.156	1
164	1	21	ARG	C	C	169.166	0	1
165	1	21	ARG	CA	C	55.418	0	1
166	1	21	ARG	CB	C	28.482	0	1
167	1	21	ARG	N	N	112.629	0.129	1
168	1	22	GLU	H	H	7.944	0.015	1
169	1	22	GLU	HA	H	5.443	0.021	1
170	1	22	GLU	HB2	H	1.978	0.025	2
171	1	22	GLU	HB3	H	2.167	0.037	2
172	1	22	GLU	HG2	H	2.228	0.053	2
173	1	22	GLU	HG3	H	2.507	0.017	2
174	1	22	GLU	C	C	167.195	0	1
175	1	22	GLU	CA	C	55.842	0.155	1
176	1	22	GLU	CB	C	33.608	0.131	1
177	1	22	GLU	CG	C	37.271	0.133	1
178	1	22	GLU	N	N	122.905	0.106	1
179	1	23	VAL	H	H	7.753	0.03	1
180	1	23	VAL	HA	H	4.733	0.011	1
181	1	23	VAL	HB	H	2.018	0.023	1
182	1	23	VAL	HG11	H	0.711	0.026	2
183	1	23	VAL	HG12	H	0.711	0.026	2
184	1	23	VAL	HG13	H	0.711	0.026	2
185	1	23	VAL	HG21	H	0.73	0.025	2
186	1	23	VAL	HG22	H	0.73	0.025	2
187	1	23	VAL	HG23	H	0.73	0.025	2
188	1	23	VAL	C	C	164.438	0	1
189	1	23	VAL	CA	C	59.301	0.146	1
190	1	23	VAL	CB	C	35.263	0.147	1
191	1	23	VAL	CG1	C	19.767	0.118	2
192	1	23	VAL	CG2	C	21.45	0.126	2
193	1	23	VAL	N	N	112.079	0.244	1
194	1	24	THR	H	H	6.593	0.034	1
195	1	24	THR	HA	H	5.399	0.007	1
196	1	24	THR	HB	H	4.03	0.02	1
197	1	24	THR	HG21	H	1.506	0.015	1
198	1	24	THR	HG22	H	1.506	0.015	1
199	1	24	THR	HG23	H	1.506	0.015	1
200	1	24	THR	C	C	166.672	0	1
201	1	24	THR	CA	C	61.927	0.073	1
202	1	24	THR	CB	C	71.525	0.091	1
203	1	24	THR	CG2	C	21.319	0.189	1
204	1	24	THR	N	N	116.957	0.113	1
205	1	25	MET	H	H	9.627	0.021	1
206	1	25	MET	HA	H	5.149	0.009	1
207	1	25	MET	HB2	H	1.895	0.014	2
208	1	25	MET	HB3	H	2.344	0.028	2
209	1	25	MET	HG2	H	2.347	0.025	2
210	1	25	MET	HG3	H	2.747	0.018	2
211	1	25	MET	HE1	H	2.384	0.021	1
212	1	25	MET	HE2	H	2.384	0.021	1
213	1	25	MET	HE3	H	2.384	0.021	1
214	1	25	MET	C	C	165.891	0	1
215	1	25	MET	CA	C	53.73	0.075	1
216	1	25	MET	CB	C	36.261	0.123	1
217	1	25	MET	CG	C	31.513	0.179	1
218	1	25	MET	CE	C	19.264	0.132	1
219	1	25	MET	N	N	121.475	0.125	1
220	1	26	LYS	H	H	9.288	0.017	1
221	1	26	LYS	HA	H	5.067	0.017	1
222	1	26	LYS	HB2	H	1.887	0.022	2
223	1	26	LYS	HB3	H	1.887	0.022	2
224	1	26	LYS	HG2	H	1.532	0.021	2
225	1	26	LYS	HG3	H	1.532	0.021	2
226	1	26	LYS	HD2	H	1.86	0.042	2
227	1	26	LYS	HD3	H	1.86	0.042	2
228	1	26	LYS	HE2	H	2.611	0	2
229	1	26	LYS	HE3	H	3.15	0.007	2
230	1	26	LYS	C	C	167.456	0	1
231	1	26	LYS	CA	C	53.36	0.23	1
232	1	26	LYS	CB	C	33.982	0.13	1
233	1	26	LYS	CG	C	24.227	0.203	1
234	1	26	LYS	CD	C	28.839	0.306	1
235	1	26	LYS	CE	C	41.958	0.188	1
236	1	26	LYS	N	N	125.123	0.153	1
237	1	27	LYS	H	H	9.282	0.024	1
238	1	27	LYS	HA	H	3.387	0.022	1
239	1	27	LYS	HB2	H	1.227	0.027	2
240	1	27	LYS	HB3	H	1.666	0.041	2
241	1	27	LYS	HG2	H	1.211	0.029	2
242	1	27	LYS	HG3	H	1.211	0.029	2
243	1	27	LYS	HD2	H	1.771	0.02	2
244	1	27	LYS	HD3	H	1.771	0.02	2
245	1	27	LYS	HE2	H	3.101	0.022	2
246	1	27	LYS	HE3	H	3.101	0.022	2
247	1	27	LYS	C	C	170.336	0	1
248	1	27	LYS	CA	C	58.33	0.099	1
249	1	27	LYS	CB	C	32.247	0.125	1
250	1	27	LYS	CG	C	24.071	0.12	1
251	1	27	LYS	CD	C	29.456	0.093	1
252	1	27	LYS	CE	C	41.764	0.147	1
253	1	27	LYS	N	N	122.348	0.104	1
254	1	28	GLY	H	H	9.143	0.016	1
255	1	28	GLY	HA2	H	3.626	0.019	2
256	1	28	GLY	HA3	H	4.545	0.018	2
257	1	28	GLY	C	C	166.055	0	1
258	1	28	GLY	CA	C	44.924	0.124	1
259	1	28	GLY	N	N	117.018	0.126	1
260	1	29	ASP	H	H	8.645	0.017	1
261	1	29	ASP	HA	H	4.892	0.014	1
262	1	29	ASP	HB2	H	2.571	0.014	2
263	1	29	ASP	HB3	H	3.069	0.024	2
264	1	29	ASP	C	C	167.622	0	1
265	1	29	ASP	CA	C	55.106	0.116	1
266	1	29	ASP	CB	C	42.015	0.128	1
267	1	29	ASP	N	N	122.382	0.142	1
268	1	30	ILE	H	H	8.876	0.019	1
269	1	30	ILE	HA	H	5.097	0.009	1
270	1	30	ILE	HB	H	2.475	0.018	1
271	1	30	ILE	HG12	H	1.721	0.022	2
272	1	30	ILE	HG13	H	1.721	0.022	2
273	1	30	ILE	HG21	H	0.883	0.026	1
274	1	30	ILE	HG22	H	0.883	0.026	1
275	1	30	ILE	HG23	H	0.883	0.026	1
276	1	30	ILE	HD11	H	1.104	0.009	1
277	1	30	ILE	HD12	H	1.104	0.009	1
278	1	30	ILE	HD13	H	1.104	0.009	1
279	1	30	ILE	C	C	169.146	0	1
280	1	30	ILE	CA	C	58.014	0.091	1
281	1	30	ILE	CB	C	35.532	0.09	1
282	1	30	ILE	CG1	C	26.502	0.223	1
283	1	30	ILE	CG2	C	17.753	0.084	1
284	1	30	ILE	CD1	C	11.008	0.071	1
285	1	30	ILE	N	N	120.11	0.175	1
286	1	31	LEU	H	H	9.775	0.012	1
287	1	31	LEU	HA	H	5.156	0.01	1
288	1	31	LEU	HB2	H	1.594	0.024	2
289	1	31	LEU	HB3	H	1.766	0.036	2
290	1	31	LEU	HG	H	1.828	0.012	1
291	1	31	LEU	HD11	H	0.932	0.004	2
292	1	31	LEU	HD12	H	0.932	0.004	2
293	1	31	LEU	HD13	H	0.932	0.004	2
294	1	31	LEU	HD21	H	1.084	0.012	2
295	1	31	LEU	HD22	H	1.084	0.012	2
296	1	31	LEU	HD23	H	1.084	0.012	2
297	1	31	LEU	C	C	168.979	0	1
298	1	31	LEU	CA	C	52.88	0.063	1
299	1	31	LEU	CB	C	42.593	0.152	1
300	1	31	LEU	CG	C	27.389	0.104	1
301	1	31	LEU	CD1	C	26.42	0.153	2
302	1	31	LEU	CD2	C	27.288	0.117	2
303	1	31	LEU	N	N	128.782	0.132	1
304	1	32	THR	H	H	8.409	0.016	1
305	1	32	THR	HA	H	4.754	0.016	1
306	1	32	THR	HB	H	4.325	0.014	1
307	1	32	THR	HG21	H	1.351	0.016	1
308	1	32	THR	HG22	H	1.351	0.016	1
309	1	32	THR	HG23	H	1.351	0.016	1
310	1	32	THR	C	C	166.092	0	1
311	1	32	THR	CA	C	62.681	0.095	1
312	1	32	THR	CB	C	69.294	0.096	1
313	1	32	THR	CG2	C	22.79	0.158	1
314	1	32	THR	N	N	119.155	0.138	1
315	1	33	LEU	H	H	9.123	0.015	1
316	1	33	LEU	HA	H	4.405	0.018	1
317	1	33	LEU	HB2	H	1.092	0.022	2
318	1	33	LEU	HB3	H	1.896	0.012	2
319	1	33	LEU	HG	H	1.315	0.017	1
320	1	33	LEU	HD11	H	0.469	0.022	2
321	1	33	LEU	HD12	H	0.469	0.022	2
322	1	33	LEU	HD13	H	0.469	0.022	2
323	1	33	LEU	HD21	H	0.803	0.03	2
324	1	33	LEU	HD22	H	0.803	0.03	2
325	1	33	LEU	HD23	H	0.803	0.03	2
326	1	33	LEU	C	C	166.965	0	1
327	1	33	LEU	CA	C	54.902	0.115	1
328	1	33	LEU	CB	C	42.899	0.09	1
329	1	33	LEU	CG	C	26.519	0.125	1
330	1	33	LEU	CD1	C	23.693	0.07	2
331	1	33	LEU	CD2	C	25.301	0.169	2
332	1	33	LEU	N	N	130.518	0.111	1
333	1	34	LEU	H	H	9.18	0.029	1
334	1	34	LEU	HA	H	4.687	0.019	1
335	1	34	LEU	HB2	H	1.595	0.042	2
336	1	34	LEU	HB3	H	1.595	0.042	2
337	1	34	LEU	HG	H	1.611	0.022	1
338	1	34	LEU	HD11	H	0.773	0.035	2
339	1	34	LEU	HD12	H	0.773	0.035	2
340	1	34	LEU	HD13	H	0.773	0.035	2
341	1	34	LEU	HD21	H	0.824	0.012	2
342	1	34	LEU	HD22	H	0.824	0.012	2
343	1	34	LEU	HD23	H	0.824	0.012	2
344	1	34	LEU	C	C	169.912	0	1
345	1	34	LEU	CA	C	54.864	0.118	1
346	1	34	LEU	CB	C	42.902	0.092	1
347	1	34	LEU	CG	C	26.61	0.135	1
348	1	34	LEU	CD1	C	22.052	0.164	2
349	1	34	LEU	CD2	C	25.687	0.128	2
350	1	34	LEU	N	N	125.83	0.113	1
351	1	35	ASN	H	H	7.678	0.022	1
352	1	35	ASN	HA	H	4.901	0.009	1
353	1	35	ASN	HB2	H	2.735	0.023	2
354	1	35	ASN	HB3	H	2.97	0.007	2
355	1	35	ASN	HD21	H	7.042	0.043	1
356	1	35	ASN	HD22	H	8.253	0.027	1
357	1	35	ASN	C	C	166.994	0	1
358	1	35	ASN	CA	C	54.029	0.094	1
359	1	35	ASN	CB	C	40.399	0.105	1
360	1	35	ASN	CG	C	168.166	0	1
361	1	35	ASN	N	N	114.192	0.101	1
362	1	35	ASN	ND2	N	116.678	0.152	1
363	1	36	SER	H	H	9.564	0.03	1
364	1	36	SER	HA	H	4.142	0.022	1
365	1	36	SER	HB2	H	2.081	0.023	2
366	1	36	SER	HB3	H	2.915	0.023	2
367	1	36	SER	C	C	166.111	0	1
368	1	36	SER	CA	C	56.744	0.124	1
369	1	36	SER	CB	C	61.882	0.09	1
370	1	36	SER	N	N	125.255	0.205	1
371	1	37	THR	H	H	8.409	0.023	1
372	1	37	THR	HA	H	4.22	0.012	1
373	1	37	THR	HB	H	4.456	0.018	1
374	1	37	THR	HG21	H	1.581	0.016	1
375	1	37	THR	HG22	H	1.581	0.016	1
376	1	37	THR	HG23	H	1.581	0.016	1
377	1	37	THR	C	C	168.3	0	1
378	1	37	THR	CA	C	64.828	0.101	1
379	1	37	THR	CB	C	70.458	0.118	1
380	1	37	THR	CG2	C	22.403	0.145	1
381	1	37	THR	N	N	112.905	0.105	1
382	1	38	ASN	H	H	9.576	0.021	1
383	1	38	ASN	HA	H	5.169	0.017	1
384	1	38	ASN	HB2	H	3.213	0.029	2
385	1	38	ASN	HB3	H	4.015	0.041	2
386	1	38	ASN	C	C	167.266	0	1
387	1	38	ASN	CA	C	54.05	0.166	1
388	1	38	ASN	CB	C	41.336	0.092	1
389	1	38	ASN	N	N	126.039	0.077	1
390	1	39	LYS	H	H	8.862	0.025	1
391	1	39	LYS	HA	H	4.36	0.013	1
392	1	39	LYS	HB2	H	1.928	0.02	2
393	1	39	LYS	HB3	H	1.928	0.02	2
394	1	39	LYS	HG2	H	1.473	0.023	2
395	1	39	LYS	HG3	H	1.473	0.023	2
396	1	39	LYS	HD2	H	1.786	0.013	2
397	1	39	LYS	HD3	H	1.786	0.013	2
398	1	39	LYS	HE2	H	3.12	0.015	2
399	1	39	LYS	HE3	H	3.12	0.015	2
400	1	39	LYS	C	C	168.728	0	1
401	1	39	LYS	CA	C	58.319	0.083	1
402	1	39	LYS	CB	C	32.767	0.089	1
403	1	39	LYS	CG	C	23.644	0.114	1
404	1	39	LYS	CD	C	29.344	0.111	1
405	1	39	LYS	CE	C	41.822	0.16	1
406	1	39	LYS	N	N	121.645	0.13	1
407	1	40	ASP	H	H	8.17	0.022	1
408	1	40	ASP	HA	H	4.686	0.022	1
409	1	40	ASP	HB2	H	2.232	0.02	2
410	1	40	ASP	HB3	H	2.855	0.018	2
411	1	40	ASP	C	C	169.531	0	1
412	1	40	ASP	CA	C	55.513	0.09	1
413	1	40	ASP	CB	C	44.149	0.086	1
414	1	40	ASP	N	N	115.801	0.149	1
415	1	41	TRP	H	H	8.663	0.014	1
416	1	41	TRP	HA	H	5.112	0.009	1
417	1	41	TRP	HB2	H	2.722	0.006	2
418	1	41	TRP	HB3	H	3.064	0.011	2
419	1	41	TRP	HE1	H	10.211	0.02	1
420	1	41	TRP	C	C	166.773	0	1
421	1	41	TRP	CA	C	55.911	0.073	1
422	1	41	TRP	CB	C	32.361	0.084	1
423	1	41	TRP	N	N	122.818	0.139	1
424	1	41	TRP	NE1	N	128.812	0.094	1
425	1	42	TRP	H	H	9.491	0.018	1
426	1	42	TRP	HA	H	5.712	0.021	1
427	1	42	TRP	HB2	H	2.816	0.026	2
428	1	42	TRP	HB3	H	3.116	0.015	2
429	1	42	TRP	HE1	H	9.567	0.017	1
430	1	42	TRP	C	C	166.766	0	1
431	1	42	TRP	CA	C	53.635	0.154	1
432	1	42	TRP	CB	C	31.608	0.146	1
433	1	42	TRP	N	N	124.213	0.109	1
434	1	42	TRP	NE1	N	130.137	0.087	1
435	1	43	LYS	H	H	9.176	0.03	1
436	1	43	LYS	HA	H	4.401	0.021	1
437	1	43	LYS	HB2	H	1.133	0.008	2
438	1	43	LYS	HB3	H	1.133	0.008	2
439	1	43	LYS	HG2	H	0.27	0.027	2
440	1	43	LYS	HG3	H	1.017	0.024	2
441	1	43	LYS	HD2	H	1.457	0.017	2
442	1	43	LYS	HD3	H	1.457	0.017	2
443	1	43	LYS	HE2	H	2.721	0.036	2
444	1	43	LYS	HE3	H	2.721	0.036	2
445	1	43	LYS	C	C	167.942	0	1
446	1	43	LYS	CA	C	54.993	0.163	1
447	1	43	LYS	CB	C	34.58	0.039	1
448	1	43	LYS	CG	C	26.06	0.152	1
449	1	43	LYS	CD	C	29.31	0.068	1
450	1	43	LYS	CE	C	41.726	0.143	1
451	1	43	LYS	N	N	123.88	0.189	1
452	1	44	VAL	H	H	9.725	0.013	1
453	1	44	VAL	HA	H	5.469	0.017	1
454	1	44	VAL	HB	H	2.256	0.03	1
455	1	44	VAL	HG11	H	0.902	0.017	2
456	1	44	VAL	HG12	H	0.902	0.017	2
457	1	44	VAL	HG13	H	0.902	0.017	2
458	1	44	VAL	HG21	H	0.903	0.021	2
459	1	44	VAL	HG22	H	0.903	0.021	2
460	1	44	VAL	HG23	H	0.903	0.021	2
461	1	44	VAL	C	C	165.684	0	1
462	1	44	VAL	CA	C	58.868	0.092	1
463	1	44	VAL	CB	C	36.472	0.144	1
464	1	44	VAL	CG1	C	18.425	0.1	2
465	1	44	VAL	CG2	C	20.777	0.176	2
466	1	44	VAL	N	N	122.499	0.109	1
467	1	45	GLU	H	H	9.078	0.025	1
468	1	45	GLU	HA	H	5.43	0.014	1
469	1	45	GLU	HB2	H	1.956	0.013	2
470	1	45	GLU	HB3	H	1.956	0.013	2
471	1	45	GLU	HG2	H	2.289	0.028	2
472	1	45	GLU	HG3	H	2.289	0.028	2
473	1	45	GLU	C	C	167.648	0	1
474	1	45	GLU	CA	C	54.595	0.092	1
475	1	45	GLU	CB	C	33.762	0.087	1
476	1	45	GLU	CG	C	37.375	0.118	1
477	1	45	GLU	N	N	120.093	0.113	1
478	1	46	VAL	H	H	9.079	0.031	1
479	1	46	VAL	C	C	167.806	0	1
480	1	46	VAL	CA	C	60.424	0	1
481	1	46	VAL	CB	C	33.996	0	1
482	1	46	VAL	CG1	C	19.589	0	2
483	1	46	VAL	CG2	C	21.107	0	2
484	1	46	VAL	N	N	125.913	0.123	1
485	1	47	ASN	HD21	H	7.365	0.014	1
486	1	47	ASN	HD22	H	7.879	0.016	1
487	1	47	ASN	ND2	N	114.553	0.197	1
488	1	48	ASP	C	C	167.682	0	1
489	1	49	ARG	H	H	8.265	0.022	1
490	1	49	ARG	HA	H	4.848	0.009	1
491	1	49	ARG	HB2	H	1.954	0.014	2
492	1	49	ARG	HB3	H	2.111	0.017	2
493	1	49	ARG	HG2	H	1.758	0.018	2
494	1	49	ARG	HG3	H	2.025	0.016	2
495	1	49	ARG	HD2	H	3.405	0.012	2
496	1	49	ARG	HD3	H	3.567	0.009	2
497	1	49	ARG	C	C	167.086	0	1
498	1	49	ARG	CA	C	55.229	0.054	1
499	1	49	ARG	CB	C	33.882	0.104	1
500	1	49	ARG	CG	C	27.147	0.152	1
501	1	49	ARG	CD	C	43.628	0.065	1
502	1	49	ARG	N	N	119.678	0.121	1
503	1	50	GLN	H	H	8.609	0.023	1
504	1	50	GLN	HA	H	5.754	0.008	1
505	1	50	GLN	HB2	H	1.686	0.027	2
506	1	50	GLN	HB3	H	2.076	0.021	2
507	1	50	GLN	HG2	H	2.322	0.018	2
508	1	50	GLN	HG3	H	2.574	0.013	2
509	1	50	GLN	HE21	H	6.887	0.006	1
510	1	50	GLN	HE22	H	8.033	0.039	1
511	1	50	GLN	C	C	168.449	0	1
512	1	50	GLN	CA	C	53.223	0.074	1
513	1	50	GLN	CB	C	31.294	0.154	1
514	1	50	GLN	CG	C	33.483	0.155	1
515	1	50	GLN	CD	C	172.315	0	1
516	1	50	GLN	N	N	116.921	0.177	1
517	1	50	GLN	NE2	N	111.944	0.155	1
518	1	51	GLY	H	H	8.947	0.024	1
519	1	51	GLY	HA2	H	3.976	0.02	2
520	1	51	GLY	HA3	H	4.252	0.013	2
521	1	51	GLY	C	C	163.029	0	1
522	1	51	GLY	CA	C	45.672	0.087	1
523	1	51	GLY	N	N	107.418	0.076	1
524	1	52	PHE	H	H	9.449	0.024	1
525	1	52	PHE	HA	H	5.732	0.026	1
526	1	52	PHE	HB2	H	2.682	0.023	2
527	1	52	PHE	HB3	H	3.36	0.005	2
528	1	52	PHE	C	C	167.887	0	1
529	1	52	PHE	CA	C	58.966	0.112	1
530	1	52	PHE	CB	C	42.285	0.123	1
531	1	52	PHE	N	N	119.058	0.102	1
532	1	53	VAL	H	H	9.087	0.019	1
533	1	53	VAL	HA	H	4.958	0.013	1
534	1	53	VAL	HB	H	1.97	0.004	1
535	1	53	VAL	HG11	H	0.741	0.016	2
536	1	53	VAL	HG12	H	0.741	0.016	2
537	1	53	VAL	HG13	H	0.741	0.016	2
538	1	53	VAL	HG21	H	1.197	0.013	2
539	1	53	VAL	HG22	H	1.197	0.013	2
540	1	53	VAL	HG23	H	1.197	0.013	2
541	1	53	VAL	C	C	165.036	0	1
542	1	53	VAL	CA	C	58.128	0.089	1
543	1	53	VAL	CB	C	33.538	0.051	1
544	1	53	VAL	CG1	C	16.947	0.117	2
545	1	53	VAL	CG2	C	22.182	0.148	2
546	1	53	VAL	N	N	110.548	0.167	1
547	1	54	PRO	HA	H	3.497	0.021	1
548	1	54	PRO	HB2	H	0.381	0.029	2
549	1	54	PRO	HB3	H	1.142	0.029	2
550	1	54	PRO	HG2	H	0.364	0.047	2
551	1	54	PRO	HG3	H	0.7	0.041	2
552	1	54	PRO	HD2	H	2.355	0.046	2
553	1	54	PRO	HD3	H	2.62	0.039	2
554	1	54	PRO	C	C	169.978	0	1
555	1	54	PRO	CA	C	61.675	0.13	1
556	1	54	PRO	CB	C	29.906	0.099	1
557	1	54	PRO	CG	C	27.903	0.192	1
558	1	54	PRO	CD	C	49.946	0.109	1
559	1	55	ALA	H	H	7.723	0.016	1
560	1	55	ALA	HA	H	2.754	0.014	1
561	1	55	ALA	HB1	H	-0.108	0.015	1
562	1	55	ALA	HB2	H	-0.108	0.015	1
563	1	55	ALA	HB3	H	-0.108	0.015	1
564	1	55	ALA	C	C	171.248	0	1
565	1	55	ALA	CA	C	54.244	0.119	1
566	1	55	ALA	CB	C	15.387	0.138	1
567	1	55	ALA	N	N	129.752	0.088	1
568	1	56	ALA	H	H	8.633	0.046	1
569	1	56	ALA	HA	H	4.064	0.012	1
570	1	56	ALA	HB1	H	1.272	0.022	1
571	1	56	ALA	HB2	H	1.272	0.022	1
572	1	56	ALA	HB3	H	1.272	0.022	1
573	1	56	ALA	C	C	170.278	0	1
574	1	56	ALA	CA	C	53.066	0.151	1
575	1	56	ALA	CB	C	17.799	0.138	1
576	1	56	ALA	N	N	114.474	0.149	1
577	1	57	TYR	H	H	7.425	0.022	1
578	1	57	TYR	HA	H	5.032	0.002	1
579	1	57	TYR	HB2	H	3.1	0.019	2
580	1	57	TYR	HB3	H	3.784	0.014	2
581	1	57	TYR	C	C	166.664	0	1
582	1	57	TYR	CA	C	54.357	0.183	1
583	1	57	TYR	CB	C	37.214	0.197	1
584	1	57	TYR	N	N	112.966	0.117	1
585	1	58	VAL	H	H	7.669	0.017	1
586	1	58	VAL	HA	H	5.695	0.017	1
587	1	58	VAL	HB	H	1.987	0.008	1
588	1	58	VAL	HG11	H	0.879	0.015	2
589	1	58	VAL	HG12	H	0.879	0.015	2
590	1	58	VAL	HG13	H	0.879	0.015	2
591	1	58	VAL	HG21	H	0.896	0.021	2
592	1	58	VAL	HG22	H	0.896	0.021	2
593	1	58	VAL	HG23	H	0.896	0.021	2
594	1	58	VAL	C	C	166.15	0	1
595	1	58	VAL	CA	C	57.933	0.11	1
596	1	58	VAL	CB	C	35.37	0.056	1
597	1	58	VAL	CG1	C	19.466	0.121	2
598	1	58	VAL	CG2	C	22.129	0.173	2
599	1	58	VAL	N	N	111.382	0.172	1
600	1	59	LYS	H	H	8.921	0.021	1
601	1	59	LYS	HA	H	5.018	0.015	1
602	1	59	LYS	HB2	H	1.851	0.014	2
603	1	59	LYS	HB3	H	1.851	0.014	2
604	1	59	LYS	HG2	H	1.596	0.014	2
605	1	59	LYS	HG3	H	1.596	0.014	2
606	1	59	LYS	HD2	H	1.852	0.012	2
607	1	59	LYS	HD3	H	1.852	0.012	2
608	1	59	LYS	HE2	H	3.157	0.011	2
609	1	59	LYS	HE3	H	3.157	0.011	2
610	1	59	LYS	C	C	168.746	0	1
611	1	59	LYS	CA	C	53.954	0.052	1
612	1	59	LYS	CB	C	36.906	0.084	1
613	1	59	LYS	CG	C	24.347	0.093	1
614	1	59	LYS	CD	C	29.416	0.12	1
615	1	59	LYS	CE	C	42.233	0.135	1
616	1	59	LYS	N	N	119.802	0.212	1
617	1	60	LYS	H	H	9.494	0.026	1
618	1	60	LYS	HA	H	4.555	0.018	1
619	1	60	LYS	HB2	H	1.968	0.019	2
620	1	60	LYS	HB3	H	2.134	0.007	2
621	1	60	LYS	HG2	H	1.489	0.02	2
622	1	60	LYS	HG3	H	1.804	0.011	2
623	1	60	LYS	HD2	H	1.774	0.021	2
624	1	60	LYS	HD3	H	1.774	0.021	2
625	1	60	LYS	HE2	H	2.725	0.034	2
626	1	60	LYS	HE3	H	2.966	0.022	2
627	1	60	LYS	C	C	168.893	0	1
628	1	60	LYS	CA	C	58.266	0.08	1
629	1	60	LYS	CB	C	32.875	0.146	1
630	1	60	LYS	CG	C	25.75	0.129	1
631	1	60	LYS	CD	C	29.524	0.178	1
632	1	60	LYS	CE	C	41.687	0.139	1
633	1	60	LYS	N	N	127.103	0.143	1
634	1	61	LEU	H	H	8.402	0.02	1
635	1	61	LEU	HA	H	4.671	0.013	1
636	1	61	LEU	HB2	H	1.43	0.02	2
637	1	61	LEU	HB3	H	1.741	0.018	2
638	1	61	LEU	HG	H	1.789	0.015	1
639	1	61	LEU	HD11	H	0.995	0.021	2
640	1	61	LEU	HD12	H	0.995	0.021	2
641	1	61	LEU	HD13	H	0.995	0.021	2
642	1	61	LEU	HD21	H	0.997	0.017	2
643	1	61	LEU	HD22	H	0.997	0.017	2
644	1	61	LEU	HD23	H	0.997	0.017	2
645	1	61	LEU	C	C	167.907	0	1
646	1	61	LEU	CA	C	53.952	0.084	1
647	1	61	LEU	CB	C	41.615	0.202	1
648	1	61	LEU	CG	C	26.484	0.132	1
649	1	61	LEU	CD1	C	22.777	0.099	2
650	1	61	LEU	CD2	C	26.44	0.203	2
651	1	61	LEU	N	N	125.903	0.125	1
652	1	62	ASP	H	H	8.178	0.031	1
653	1	62	ASP	CA	C	55.92	0	1
654	1	62	ASP	CB	C	42.715	0	1
655	1	62	ASP	N	N	128.463	0.081	1

Release date

2023-02-27

Citation

Integrated Assessment of the Structure and Dynamics of Solid Proteins
Soldner, B., Grohe, K., Neidig, P., Auch, J., Blach, S., Klein, A., Vasa, S.K., Schafer, L.V., Linser, R.
J. Phys. Chem. Lett. (2023), 14, 1725-1731, PubMed 36757335 , DOI 10.1021/acs.jpclett.2c03398 , Abstract

Related entities 1. Spectrin alpha chain, non-erythrocytic 1, : 1 : 11 : 2 : 36 : 273 entities Detail

Interaction partners 1. Spectrin alpha chain, non-erythrocytic 1, : 5 interactors Detail

Experiments performed 3 experiments Detail