BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	SER	C	C	173.464	0.002	1
2	1	1	SER	CA	C	57.883	0.000	1
3	1	2	ASP	HA	H	4.522	0.001	1
4	1	2	ASP	HB2	H	2.490	0.004	2
5	1	2	ASP	HB3	H	2.567	0.001	2
6	1	2	ASP	C	C	175.545	0.002	1
7	1	2	ASP	CA	C	54.201	0.043	1
8	1	2	ASP	CB	C	41.315	0.059	1
9	1	2	ASP	CG	C	179.649	0.000	1
10	1	2	ASP	N	N	122.143	0.000	1
11	1	3	ASN	HA	H	4.477	0.002	1
12	1	3	ASN	HB2	H	2.499	0.002	2
13	1	3	ASN	HB3	H	2.499	0.002	2
14	1	3	ASN	HD21	H	7.424	0.000	2
15	1	3	ASN	HD22	H	6.782	0.000	2
16	1	3	ASN	C	C	174.799	0.004	1
17	1	3	ASN	CA	C	53.356	0.049	1
18	1	3	ASN	CB	C	38.688	0.013	1
19	1	3	ASN	CG	C	176.688	0.000	1
20	1	3	ASN	N	N	119.328	0.000	1
21	1	3	ASN	ND2	N	112.841	0.023	1
22	1	4	LYS	H	H	8.177	0.000	1
23	1	4	LYS	HA	H	4.075	0.002	1
24	1	4	LYS	HB2	H	1.548	0.001	2
25	1	4	LYS	HB3	H	1.594	0.001	2
26	1	4	LYS	HG2	H	1.143	0.001	2
27	1	4	LYS	HG3	H	1.143	0.001	2
28	1	4	LYS	HD2	H	1.511	0.001	2
29	1	4	LYS	HD3	H	1.511	0.001	2
30	1	4	LYS	HE2	H	2.862	0.000	2
31	1	4	LYS	HE3	H	2.857	0.005	2
32	1	4	LYS	C	C	176.101	0.005	1
33	1	4	LYS	CA	C	56.462	0.041	1
34	1	4	LYS	CB	C	32.420	0.012	1
35	1	4	LYS	CG	C	24.465	0.021	1
36	1	4	LYS	CD	C	28.942	0.000	1
37	1	4	LYS	CE	C	42.041	0.000	1
38	1	4	LYS	N	N	121.245	0.015	1
39	1	5	PHE	H	H	8.026	0.000	1
40	1	5	PHE	HA	H	4.878	0.001	1
41	1	5	PHE	HB2	H	3.227	0.002	2
42	1	5	PHE	HB3	H	2.925	0.002	2
43	1	5	PHE	HD1	H	7.064	0.000	1
44	1	5	PHE	HD2	H	7.064	0.000	1
45	1	5	PHE	HE1	H	7.026	0.000	1
46	1	5	PHE	HE2	H	7.026	0.000	1
47	1	5	PHE	C	C	176.320	0.009	1
48	1	5	PHE	CA	C	55.781	0.049	1
49	1	5	PHE	CB	C	39.735	0.028	1
50	1	5	PHE	CD2	C	130.855	0.000	1
51	1	5	PHE	CE2	C	131.281	0.000	1
52	1	5	PHE	N	N	119.787	0.005	1
53	1	6	ASN	H	H	8.421	0.000	1
54	1	6	ASN	HA	H	4.623	0.001	1
55	1	6	ASN	HB2	H	2.853	0.002	2
56	1	6	ASN	HB3	H	3.145	0.001	2
57	1	6	ASN	HD21	H	7.472	0.000	2
58	1	6	ASN	HD22	H	6.876	0.000	2
59	1	6	ASN	C	C	175.318	0.001	1
60	1	6	ASN	CA	C	52.284	0.009	1
61	1	6	ASN	CB	C	38.232	0.012	1
62	1	6	ASN	CG	C	175.393	0.010	1
63	1	6	ASN	N	N	120.990	0.016	1
64	1	6	ASN	ND2	N	110.850	0.013	1
65	1	7	LYS	H	H	8.293	0.000	1
66	1	7	LYS	HA	H	4.010	0.002	1
67	1	7	LYS	HB2	H	1.863	0.003	2
68	1	7	LYS	HB3	H	1.863	0.003	2
69	1	7	LYS	HG2	H	1.520	0.003	2
70	1	7	LYS	HG3	H	1.311	0.003	2
71	1	7	LYS	HD2	H	1.630	0.002	2
72	1	7	LYS	HD3	H	1.630	0.002	2
73	1	7	LYS	HE2	H	2.871	0.001	2
74	1	7	LYS	HE3	H	2.871	0.001	2
75	1	7	LYS	C	C	177.995	0.001	1
76	1	7	LYS	CA	C	59.671	0.054	1
77	1	7	LYS	CB	C	32.433	0.022	1
78	1	7	LYS	CG	C	24.931	0.023	1
79	1	7	LYS	CD	C	29.567	0.037	1
80	1	7	LYS	CE	C	41.919	0.000	1
81	1	7	LYS	N	N	119.624	0.013	1
82	1	8	GLU	H	H	8.180	0.000	1
83	1	8	GLU	HA	H	4.008	0.002	1
84	1	8	GLU	HB2	H	1.963	0.002	2
85	1	8	GLU	HB3	H	2.034	0.003	2
86	1	8	GLU	HG2	H	2.229	0.002	2
87	1	8	GLU	HG3	H	2.229	0.002	2
88	1	8	GLU	C	C	179.536	0.000	1
89	1	8	GLU	CA	C	59.575	0.022	1
90	1	8	GLU	CB	C	29.116	0.040	1
91	1	8	GLU	CG	C	36.561	0.016	1
92	1	8	GLU	N	N	119.667	0.008	1
93	1	9	GLN	H	H	8.445	0.000	1
94	1	9	GLN	HA	H	3.769	0.001	1
95	1	9	GLN	HB2	H	1.590	0.002	2
96	1	9	GLN	HB3	H	2.081	0.004	2
97	1	9	GLN	HG2	H	2.331	0.002	2
98	1	9	GLN	HG3	H	2.244	0.002	2
99	1	9	GLN	HE21	H	7.055	0.000	2
100	1	9	GLN	HE22	H	7.272	0.000	2
101	1	9	GLN	C	C	177.040	0.002	1
102	1	9	GLN	CA	C	58.754	0.048	1
103	1	9	GLN	CB	C	27.929	0.030	1
104	1	9	GLN	CG	C	33.908	0.041	1
105	1	9	GLN	CD	C	179.331	0.007	1
106	1	9	GLN	N	N	121.254	0.020	1
107	1	9	GLN	NE2	N	112.083	0.017	1
108	1	10	GLN	H	H	8.509	0.000	1
109	1	10	GLN	HA	H	3.883	0.000	1
110	1	10	GLN	HB2	H	2.104	0.003	2
111	1	10	GLN	HB3	H	2.104	0.003	2
112	1	10	GLN	HG2	H	2.365	0.002	2
113	1	10	GLN	HG3	H	2.365	0.002	2
114	1	10	GLN	HE21	H	7.145	0.000	2
115	1	10	GLN	HE22	H	6.789	0.000	2
116	1	10	GLN	C	C	178.089	0.001	1
117	1	10	GLN	CA	C	58.767	0.047	1
118	1	10	GLN	CB	C	28.539	0.001	1
119	1	10	GLN	CG	C	33.936	0.038	1
120	1	10	GLN	CD	C	179.620	0.007	1
121	1	10	GLN	N	N	118.740	0.028	1
122	1	10	GLN	NE2	N	111.797	0.021	1
123	1	11	ASN	H	H	8.242	0.000	1
124	1	11	ASN	HA	H	4.516	0.002	1
125	1	11	ASN	HB2	H	2.822	0.003	2
126	1	11	ASN	HB3	H	2.822	0.003	2
127	1	11	ASN	HD21	H	6.953	0.000	2
128	1	11	ASN	HD22	H	7.640	0.000	2
129	1	11	ASN	C	C	177.072	0.004	1
130	1	11	ASN	CA	C	56.046	0.045	1
131	1	11	ASN	CB	C	38.176	0.024	1
132	1	11	ASN	CG	C	175.830	0.014	1
133	1	11	ASN	N	N	118.035	0.000	1
134	1	11	ASN	ND2	N	112.278	0.016	1
135	1	12	ALA	H	H	7.836	0.000	1
136	1	12	ALA	HA	H	4.026	0.001	1
137	1	12	ALA	HB1	H	1.370	0.002	1
138	1	12	ALA	HB2	H	1.370	0.002	1
139	1	12	ALA	HB3	H	1.370	0.002	1
140	1	12	ALA	C	C	177.986	0.000	1
141	1	12	ALA	CA	C	55.407	0.034	1
142	1	12	ALA	CB	C	18.273	0.045	1
143	1	12	ALA	N	N	122.725	0.017	1
144	1	13	PHE	H	H	8.136	0.000	1
145	1	13	PHE	HA	H	3.796	0.002	1
146	1	13	PHE	HB2	H	2.920	0.004	2
147	1	13	PHE	HB3	H	3.196	0.002	2
148	1	13	PHE	HD1	H	6.941	0.000	1
149	1	13	PHE	HD2	H	6.941	0.000	1
150	1	13	PHE	HE1	H	7.166	0.000	1
151	1	13	PHE	HE2	H	7.166	0.000	1
152	1	13	PHE	C	C	176.071	0.002	1
153	1	13	PHE	CA	C	60.743	0.085	1
154	1	13	PHE	CB	C	38.841	0.050	1
155	1	13	PHE	CD1	C	131.382	0.000	1
156	1	13	PHE	CE2	C	131.415	0.000	1
157	1	13	PHE	N	N	117.781	0.001	1
158	1	14	TYR	H	H	7.983	0.000	1
159	1	14	TYR	HA	H	3.891	0.002	1
160	1	14	TYR	HB2	H	3.109	0.002	2
161	1	14	TYR	HB3	H	3.139	0.002	2
162	1	14	TYR	HD1	H	7.074	0.000	1
163	1	14	TYR	HD2	H	7.074	0.000	1
164	1	14	TYR	HE1	H	6.656	0.000	1
165	1	14	TYR	HE2	H	6.656	0.000	1
166	1	14	TYR	C	C	178.273	0.000	1
167	1	14	TYR	CA	C	61.998	0.052	1
168	1	14	TYR	CB	C	38.170	0.017	1
169	1	14	TYR	CD2	C	133.227	0.000	1
170	1	14	TYR	CE2	C	118.209	0.000	1
171	1	14	TYR	N	N	117.089	0.017	1
172	1	15	GLU	H	H	8.307	0.000	1
173	1	15	GLU	HA	H	3.911	0.002	1
174	1	15	GLU	HB2	H	1.929	0.002	2
175	1	15	GLU	HB3	H	2.066	0.001	2
176	1	15	GLU	HG2	H	2.371	0.001	2
177	1	15	GLU	HG3	H	2.112	0.003	2
178	1	15	GLU	C	C	179.980	0.003	1
179	1	15	GLU	CA	C	60.334	0.006	1
180	1	15	GLU	CB	C	29.742	0.024	1
181	1	15	GLU	CG	C	36.703	0.060	1
182	1	15	GLU	CD	C	182.169	0.000	1
183	1	15	GLU	N	N	118.958	0.003	1
184	1	16	ILE	H	H	8.268	0.000	1
185	1	16	ILE	HA	H	3.366	0.003	1
186	1	16	ILE	HB	H	1.767	0.001	1
187	1	16	ILE	HG12	H	0.616	0.002	2
188	1	16	ILE	HG13	H	1.698	0.000	2
189	1	16	ILE	HG21	H	0.770	0.003	1
190	1	16	ILE	HG22	H	0.770	0.003	1
191	1	16	ILE	HG23	H	0.770	0.003	1
192	1	16	ILE	HD11	H	0.479	0.001	1
193	1	16	ILE	HD12	H	0.479	0.001	1
194	1	16	ILE	HD13	H	0.479	0.001	1
195	1	16	ILE	C	C	177.717	0.023	1
196	1	16	ILE	CA	C	65.101	0.050	1
197	1	16	ILE	CB	C	37.366	0.000	1
198	1	16	ILE	CG1	C	30.036	0.011	1
199	1	16	ILE	CG2	C	18.346	0.021	1
200	1	16	ILE	CD1	C	13.733	0.031	1
201	1	16	ILE	N	N	119.275	0.006	1
202	1	17	LEU	H	H	7.898	0.000	1
203	1	17	LEU	HA	H	3.618	0.002	1
204	1	17	LEU	HB2	H	1.043	0.002	2
205	1	17	LEU	HB3	H	1.409	0.004	2
206	1	17	LEU	HG	H	1.304	0.003	1
207	1	17	LEU	HD11	H	0.521	0.002	2
208	1	17	LEU	HD12	H	0.521	0.002	2
209	1	17	LEU	HD13	H	0.521	0.002	2
210	1	17	LEU	HD21	H	0.577	0.002	2
211	1	17	LEU	HD22	H	0.577	0.002	2
212	1	17	LEU	HD23	H	0.577	0.002	2
213	1	17	LEU	C	C	176.729	0.002	1
214	1	17	LEU	CA	C	57.351	0.043	1
215	1	17	LEU	CB	C	41.777	0.021	1
216	1	17	LEU	CG	C	26.499	0.012	1
217	1	17	LEU	CD1	C	24.658	0.023	1
218	1	17	LEU	CD2	C	23.453	0.049	1
219	1	17	LEU	N	N	118.123	0.009	1
220	1	18	HIS	H	H	7.104	0.000	1
221	1	18	HIS	HA	H	4.366	0.004	1
222	1	18	HIS	HB2	H	3.327	0.000	2
223	1	18	HIS	HB3	H	2.660	0.001	2
224	1	18	HIS	HD2	H	6.865	0.000	1
225	1	18	HIS	HE1	H	7.854	0.000	1
226	1	18	HIS	C	C	174.595	0.003	1
227	1	18	HIS	CA	C	56.245	0.088	1
228	1	18	HIS	CB	C	29.663	0.002	1
229	1	18	HIS	CD2	C	120.787	0.000	1
230	1	18	HIS	CE1	C	136.659	0.000	1
231	1	18	HIS	N	N	112.304	0.027	1
232	1	19	LEU	H	H	7.135	0.000	1
233	1	19	LEU	HA	H	4.446	0.003	1
234	1	19	LEU	HB2	H	1.275	0.003	2
235	1	19	LEU	HB3	H	1.695	0.003	2
236	1	19	LEU	HG	H	2.127	0.003	1
237	1	19	LEU	HD11	H	0.621	0.001	2
238	1	19	LEU	HD12	H	0.621	0.001	2
239	1	19	LEU	HD13	H	0.621	0.001	2
240	1	19	LEU	HD21	H	0.789	0.002	2
241	1	19	LEU	HD22	H	0.789	0.002	2
242	1	19	LEU	HD23	H	0.789	0.002	2
243	1	19	LEU	C	C	177.202	0.003	1
244	1	19	LEU	CA	C	53.245	0.037	1
245	1	19	LEU	CB	C	40.332	0.021	1
246	1	19	LEU	CG	C	25.237	0.013	1
247	1	19	LEU	CD1	C	27.196	0.000	1
248	1	19	LEU	CD2	C	23.386	0.023	1
249	1	19	LEU	N	N	124.385	0.016	1
250	1	20	PRO	HA	H	4.342	0.002	1
251	1	20	PRO	HB2	H	2.218	0.001	2
252	1	20	PRO	HB3	H	1.900	0.003	2
253	1	20	PRO	HG2	H	1.953	0.002	2
254	1	20	PRO	HG3	H	2.086	0.001	2
255	1	20	PRO	HD2	H	3.746	0.002	2
256	1	20	PRO	HD3	H	3.999	0.001	2
257	1	20	PRO	C	C	177.839	0.011	1
258	1	20	PRO	CA	C	65.025	0.047	1
259	1	20	PRO	CB	C	32.572	0.016	1
260	1	20	PRO	CG	C	27.137	0.000	1
261	1	20	PRO	CD	C	51.397	0.012	1
262	1	20	PRO	N	N	135.831	0.000	1
263	1	21	ASN	H	H	8.820	0.000	1
264	1	21	ASN	HA	H	4.940	0.001	1
265	1	21	ASN	HB2	H	2.823	0.002	2
266	1	21	ASN	HB3	H	2.823	0.002	2
267	1	21	ASN	HD21	H	7.376	0.000	2
268	1	21	ASN	HD22	H	6.919	0.000	2
269	1	21	ASN	C	C	175.534	0.003	1
270	1	21	ASN	CA	C	52.655	0.030	1
271	1	21	ASN	CB	C	38.747	0.010	1
272	1	21	ASN	CG	C	177.016	0.002	1
273	1	21	ASN	N	N	114.367	0.025	1
274	1	21	ASN	ND2	N	114.824	0.016	1
275	1	22	LEU	H	H	6.460	0.000	1
276	1	22	LEU	HA	H	4.503	0.002	1
277	1	22	LEU	HB2	H	1.585	0.001	2
278	1	22	LEU	HB3	H	1.642	0.005	2
279	1	22	LEU	HG	H	1.658	0.000	1
280	1	22	LEU	HD11	H	0.989	0.000	2
281	1	22	LEU	HD12	H	0.989	0.000	2
282	1	22	LEU	HD13	H	0.989	0.000	2
283	1	22	LEU	HD21	H	0.910	0.001	2
284	1	22	LEU	HD22	H	0.910	0.001	2
285	1	22	LEU	HD23	H	0.910	0.001	2
286	1	22	LEU	C	C	176.928	0.003	1
287	1	22	LEU	CA	C	53.901	0.060	1
288	1	22	LEU	CB	C	43.650	0.012	1
289	1	22	LEU	CG	C	27.000	0.000	1
290	1	22	LEU	CD1	C	27.306	0.000	1
291	1	22	LEU	CD2	C	22.261	0.020	1
292	1	22	LEU	N	N	116.963	0.022	1
293	1	23	THR	H	H	8.745	0.000	1
294	1	23	THR	HA	H	4.409	0.000	1
295	1	23	THR	HB	H	4.649	0.001	1
296	1	23	THR	HG21	H	1.193	0.002	1
297	1	23	THR	HG22	H	1.193	0.002	1
298	1	23	THR	HG23	H	1.193	0.002	1
299	1	23	THR	C	C	175.183	0.000	1
300	1	23	THR	CA	C	60.485	0.025	1
301	1	23	THR	CB	C	70.502	0.000	1
302	1	23	THR	CG2	C	21.484	0.018	1
303	1	23	THR	N	N	112.697	0.019	1
304	1	24	GLU	H	H	8.954	0.000	1
305	1	24	GLU	HA	H	3.882	0.000	1
306	1	24	GLU	HB2	H	1.934	0.000	2
307	1	24	GLU	HB3	H	1.934	0.000	2
308	1	24	GLU	HG2	H	2.269	0.000	2
309	1	24	GLU	HG3	H	2.269	0.000	2
310	1	24	GLU	C	C	178.056	0.008	1
311	1	24	GLU	CA	C	59.685	0.029	1
312	1	24	GLU	CB	C	28.987	0.040	1
313	1	24	GLU	CG	C	36.048	0.025	1
314	1	24	GLU	CD	C	183.497	0.000	1
315	1	24	GLU	N	N	121.950	0.020	1
316	1	25	GLU	H	H	8.521	0.000	1
317	1	25	GLU	HA	H	3.930	0.001	1
318	1	25	GLU	HB2	H	1.794	0.003	2
319	1	25	GLU	HB3	H	1.934	0.002	2
320	1	25	GLU	HG2	H	2.177	0.002	2
321	1	25	GLU	HG3	H	2.177	0.002	2
322	1	25	GLU	C	C	180.025	0.012	1
323	1	25	GLU	CA	C	59.853	0.045	1
324	1	25	GLU	CB	C	29.287	0.054	1
325	1	25	GLU	CG	C	36.546	0.029	1
326	1	25	GLU	N	N	117.872	0.003	1
327	1	26	GLN	H	H	7.661	0.000	1
328	1	26	GLN	HA	H	3.698	0.002	1
329	1	26	GLN	HB2	H	2.439	0.002	2
330	1	26	GLN	HB3	H	1.534	0.003	2
331	1	26	GLN	HG2	H	2.282	0.004	2
332	1	26	GLN	HG3	H	2.375	0.002	2
333	1	26	GLN	HE21	H	7.531	0.000	2
334	1	26	GLN	HE22	H	8.166	0.000	2
335	1	26	GLN	C	C	178.465	0.002	1
336	1	26	GLN	CA	C	57.863	0.057	1
337	1	26	GLN	CB	C	28.447	0.028	1
338	1	26	GLN	CG	C	34.039	0.049	1
339	1	26	GLN	CD	C	179.843	0.002	1
340	1	26	GLN	N	N	119.373	0.005	1
341	1	26	GLN	NE2	N	111.601	0.025	1
342	1	27	ARG	H	H	8.669	0.000	1
343	1	27	ARG	HA	H	3.697	0.001	1
344	1	27	ARG	HB2	H	1.678	0.007	2
345	1	27	ARG	HB3	H	1.828	0.001	2
346	1	27	ARG	HG2	H	1.399	0.002	2
347	1	27	ARG	HG3	H	1.666	0.006	2
348	1	27	ARG	HD2	H	3.158	0.002	2
349	1	27	ARG	HD3	H	3.295	0.001	2
350	1	27	ARG	C	C	177.354	0.007	1
351	1	27	ARG	CA	C	60.707	0.021	1
352	1	27	ARG	CB	C	30.474	0.007	1
353	1	27	ARG	CG	C	26.796	0.027	1
354	1	27	ARG	CD	C	42.966	0.028	1
355	1	27	ARG	N	N	119.810	0.022	1
356	1	28	ASN	H	H	8.563	0.000	1
357	1	28	ASN	HA	H	4.307	0.001	1
358	1	28	ASN	HB2	H	2.686	0.001	2
359	1	28	ASN	HB3	H	2.762	0.001	2
360	1	28	ASN	HD21	H	6.940	0.000	2
361	1	28	ASN	HD22	H	7.521	0.000	2
362	1	28	ASN	C	C	178.205	0.007	1
363	1	28	ASN	CA	C	55.846	0.029	1
364	1	28	ASN	CB	C	37.621	0.031	1
365	1	28	ASN	CG	C	175.667	0.002	1
366	1	28	ASN	N	N	115.746	0.022	1
367	1	28	ASN	ND2	N	112.068	0.024	1
368	1	29	GLY	H	H	7.813	0.000	1
369	1	29	GLY	HA2	H	3.675	0.000	2
370	1	29	GLY	HA3	H	3.755	0.000	2
371	1	29	GLY	C	C	176.232	0.005	1
372	1	29	GLY	CA	C	47.090	0.022	1
373	1	29	GLY	N	N	108.572	0.019	1
374	1	30	PHE	H	H	7.688	0.000	1
375	1	30	PHE	HA	H	4.519	0.001	1
376	1	30	PHE	HB2	H	2.933	0.001	2
377	1	30	PHE	HB3	H	2.933	0.001	2
378	1	30	PHE	HD1	H	7.162	0.000	1
379	1	30	PHE	HD2	H	7.162	0.000	1
380	1	30	PHE	HE1	H	7.184	0.000	1
381	1	30	PHE	HE2	H	7.184	0.000	1
382	1	30	PHE	HZ	H	6.967	0.000	1
383	1	30	PHE	C	C	177.768	0.001	1
384	1	30	PHE	CA	C	60.702	0.061	1
385	1	30	PHE	CB	C	39.154	0.000	1
386	1	30	PHE	CD1	C	131.925	0.000	1
387	1	30	PHE	CE1	C	130.617	0.000	1
388	1	30	PHE	CZ	C	129.118	0.000	1
389	1	30	PHE	N	N	121.010	0.015	1
390	1	31	ILE	H	H	8.318	0.000	1
391	1	31	ILE	HA	H	3.620	0.004	1
392	1	31	ILE	HB	H	1.981	0.001	1
393	1	31	ILE	HG12	H	1.199	0.001	2
394	1	31	ILE	HG13	H	1.605	0.000	2
395	1	31	ILE	HG21	H	0.850	0.002	1
396	1	31	ILE	HG22	H	0.850	0.002	1
397	1	31	ILE	HG23	H	0.850	0.002	1
398	1	31	ILE	HD11	H	0.601	0.001	1
399	1	31	ILE	HD12	H	0.601	0.001	1
400	1	31	ILE	HD13	H	0.601	0.001	1
401	1	31	ILE	C	C	177.412	0.005	1
402	1	31	ILE	CA	C	64.682	0.067	1
403	1	31	ILE	CB	C	36.942	0.000	1
404	1	31	ILE	CG1	C	29.128	0.051	1
405	1	31	ILE	CG2	C	17.470	0.011	1
406	1	31	ILE	CD1	C	12.406	0.038	1
407	1	31	ILE	N	N	119.010	0.007	1
408	1	32	GLN	H	H	8.203	0.000	1
409	1	32	GLN	HA	H	3.807	0.001	1
410	1	32	GLN	HB2	H	2.135	0.004	2
411	1	32	GLN	HB3	H	2.135	0.004	2
412	1	32	GLN	HG2	H	2.334	0.002	2
413	1	32	GLN	HG3	H	2.334	0.002	2
414	1	32	GLN	HE21	H	7.848	0.000	2
415	1	32	GLN	HE22	H	6.848	0.000	2
416	1	32	GLN	C	C	177.886	0.005	1
417	1	32	GLN	CA	C	58.754	0.052	1
418	1	32	GLN	CB	C	27.985	0.025	1
419	1	32	GLN	CG	C	33.471	0.033	1
420	1	32	GLN	CD	C	180.301	0.005	1
421	1	32	GLN	N	N	119.223	0.007	1
422	1	32	GLN	NE2	N	116.570	0.026	1
423	1	33	SER	H	H	7.945	0.000	1
424	1	33	SER	HA	H	4.210	0.001	1
425	1	33	SER	HB2	H	4.094	0.003	2
426	1	33	SER	HB3	H	3.864	0.002	2
427	1	33	SER	C	C	175.757	0.007	1
428	1	33	SER	CA	C	62.695	0.043	1
429	1	33	SER	CB	C	62.848	0.042	1
430	1	33	SER	N	N	115.254	0.017	1
431	1	34	LEU	H	H	7.884	0.000	1
432	1	34	LEU	HA	H	3.824	0.001	1
433	1	34	LEU	HB2	H	1.566	0.003	2
434	1	34	LEU	HB3	H	1.772	0.002	2
435	1	34	LEU	HG	H	1.685	0.002	1
436	1	34	LEU	HD11	H	0.683	0.002	2
437	1	34	LEU	HD12	H	0.683	0.002	2
438	1	34	LEU	HD13	H	0.683	0.002	2
439	1	34	LEU	HD21	H	0.652	0.000	2
440	1	34	LEU	HD22	H	0.652	0.000	2
441	1	34	LEU	HD23	H	0.652	0.000	2
442	1	34	LEU	C	C	177.538	0.004	1
443	1	34	LEU	CA	C	57.338	0.037	1
444	1	34	LEU	CB	C	42.737	0.013	1
445	1	34	LEU	CG	C	26.918	0.021	1
446	1	34	LEU	CD1	C	25.629	0.000	1
447	1	34	LEU	CD2	C	25.561	0.000	1
448	1	34	LEU	N	N	122.412	0.021	1
449	1	35	LYS	H	H	7.915	0.000	1
450	1	35	LYS	HA	H	3.914	0.002	1
451	1	35	LYS	HB2	H	1.835	0.006	2
452	1	35	LYS	HB3	H	1.900	0.005	2
453	1	35	LYS	HG2	H	1.311	0.002	2
454	1	35	LYS	HG3	H	1.713	0.002	2
455	1	35	LYS	HD2	H	1.556	0.002	2
456	1	35	LYS	HD3	H	1.556	0.002	2
457	1	35	LYS	HE2	H	2.692	0.002	2
458	1	35	LYS	HE3	H	2.769	0.001	2
459	1	35	LYS	C	C	178.647	0.009	1
460	1	35	LYS	CA	C	59.393	0.032	1
461	1	35	LYS	CB	C	32.607	0.039	1
462	1	35	LYS	CG	C	26.116	0.016	1
463	1	35	LYS	CD	C	29.886	0.000	1
464	1	35	LYS	CE	C	41.933	0.023	1
465	1	35	LYS	N	N	116.622	0.009	1
466	1	36	ASP	H	H	8.067	0.000	1
467	1	36	ASP	HA	H	4.350	0.000	1
468	1	36	ASP	HB2	H	2.611	0.000	2
469	1	36	ASP	HB3	H	2.659	0.003	2
470	1	36	ASP	C	C	177.002	0.003	1
471	1	36	ASP	CA	C	56.652	0.029	1
472	1	36	ASP	CB	C	40.921	0.018	1
473	1	36	ASP	CG	C	178.690	0.000	1
474	1	36	ASP	N	N	118.304	0.022	1
475	1	37	ASP	H	H	7.462	0.000	1
476	1	37	ASP	HA	H	4.829	0.002	1
477	1	37	ASP	HB2	H	2.457	0.001	2
478	1	37	ASP	HB3	H	2.928	0.004	2
479	1	37	ASP	C	C	172.001	0.005	1
480	1	37	ASP	CA	C	51.630	0.048	1
481	1	37	ASP	CB	C	40.864	0.041	1
482	1	37	ASP	CG	C	181.075	0.000	1
483	1	37	ASP	N	N	114.688	0.006	1
484	1	38	PRO	HA	H	4.393	0.001	1
485	1	38	PRO	HB2	H	2.213	0.001	2
486	1	38	PRO	HB3	H	1.878	0.004	2
487	1	38	PRO	HG2	H	2.003	0.001	2
488	1	38	PRO	HG3	H	2.119	0.001	2
489	1	38	PRO	HD2	H	3.568	0.002	2
490	1	38	PRO	HD3	H	3.779	0.002	2
491	1	38	PRO	C	C	178.154	0.002	1
492	1	38	PRO	CA	C	64.136	0.033	1
493	1	38	PRO	CB	C	32.002	0.019	1
494	1	38	PRO	CG	C	27.023	0.003	1
495	1	38	PRO	CD	C	49.861	0.023	1
496	1	38	PRO	N	N	134.778	0.000	1
497	1	39	SER	H	H	8.117	0.000	1
498	1	39	SER	HA	H	4.146	0.001	1
499	1	39	SER	HB2	H	3.923	0.003	2
500	1	39	SER	HB3	H	3.850	0.003	2
501	1	39	SER	C	C	176.107	0.012	1
502	1	39	SER	CA	C	61.193	0.094	1
503	1	39	SER	CB	C	62.968	0.044	1
504	1	39	SER	N	N	113.243	0.023	1
505	1	40	VAL	H	H	7.192	0.000	1
506	1	40	VAL	HA	H	4.777	0.000	1
507	1	40	VAL	HB	H	2.563	0.000	1
508	1	40	VAL	HG11	H	0.817	0.001	2
509	1	40	VAL	HG12	H	0.817	0.001	2
510	1	40	VAL	HG13	H	0.817	0.001	2
511	1	40	VAL	HG21	H	0.915	0.002	2
512	1	40	VAL	HG22	H	0.915	0.002	2
513	1	40	VAL	HG23	H	0.915	0.002	2
514	1	40	VAL	C	C	175.927	0.010	1
515	1	40	VAL	CA	C	60.982	0.006	1
516	1	40	VAL	CB	C	30.427	0.000	1
517	1	40	VAL	CG1	C	21.471	0.054	1
518	1	40	VAL	CG2	C	18.593	0.026	1
519	1	40	VAL	N	N	115.144	0.023	1
520	1	41	SER	H	H	7.476	0.000	1
521	1	41	SER	HA	H	3.709	0.001	1
522	1	41	SER	HB2	H	3.615	0.003	2
523	1	41	SER	HB3	H	3.812	0.001	2
524	1	41	SER	C	C	174.686	0.005	1
525	1	41	SER	CA	C	63.056	0.025	1
526	1	41	SER	CB	C	62.760	0.017	1
527	1	41	SER	N	N	116.577	0.027	1
528	1	42	LYS	H	H	8.419	0.000	1
529	1	42	LYS	HA	H	3.860	0.002	1
530	1	42	LYS	HB2	H	1.660	0.003	2
531	1	42	LYS	HB3	H	1.756	0.001	2
532	1	42	LYS	HG2	H	1.431	0.001	2
533	1	42	LYS	HG3	H	1.297	0.001	2
534	1	42	LYS	HD2	H	1.620	0.001	2
535	1	42	LYS	HD3	H	1.620	0.001	2
536	1	42	LYS	HE2	H	2.925	0.002	2
537	1	42	LYS	HE3	H	2.925	0.002	2
538	1	42	LYS	C	C	179.072	0.000	1
539	1	42	LYS	CA	C	60.092	0.024	1
540	1	42	LYS	CB	C	31.907	0.009	1
541	1	42	LYS	CG	C	25.019	0.038	1
542	1	42	LYS	CD	C	29.171	0.034	1
543	1	42	LYS	CE	C	41.721	0.000	1
544	1	42	LYS	N	N	120.470	0.014	1
545	1	43	GLU	H	H	8.220	0.000	1
546	1	43	GLU	HA	H	4.001	0.002	1
547	1	43	GLU	HB2	H	1.977	0.004	2
548	1	43	GLU	HB3	H	2.197	0.006	2
549	1	43	GLU	HG2	H	2.181	0.003	2
550	1	43	GLU	HG3	H	2.369	0.002	2
551	1	43	GLU	C	C	179.295	0.008	1
552	1	43	GLU	CA	C	59.919	0.033	1
553	1	43	GLU	CB	C	28.916	0.051	1
554	1	43	GLU	CG	C	37.119	0.049	1
555	1	43	GLU	CD	C	183.145	0.000	1
556	1	43	GLU	N	N	121.592	0.016	1
557	1	44	ILE	H	H	8.226	0.000	1
558	1	44	ILE	HA	H	3.724	0.003	1
559	1	44	ILE	HB	H	1.693	0.001	1
560	1	44	ILE	HG12	H	1.263	0.002	2
561	1	44	ILE	HG13	H	1.550	0.003	2
562	1	44	ILE	HG21	H	0.850	0.003	1
563	1	44	ILE	HG22	H	0.850	0.003	1
564	1	44	ILE	HG23	H	0.850	0.003	1
565	1	44	ILE	HD11	H	0.731	0.001	1
566	1	44	ILE	HD12	H	0.731	0.001	1
567	1	44	ILE	HD13	H	0.731	0.001	1
568	1	44	ILE	C	C	177.213	0.001	1
569	1	44	ILE	CA	C	64.011	0.033	1
570	1	44	ILE	CB	C	37.498	0.000	1
571	1	44	ILE	CG1	C	28.590	0.008	1
572	1	44	ILE	CG2	C	17.757	0.021	1
573	1	44	ILE	CD1	C	12.971	0.008	1
574	1	44	ILE	N	N	122.060	0.020	1
575	1	45	LEU	H	H	8.224	0.000	1
576	1	45	LEU	HA	H	3.702	0.001	1
577	1	45	LEU	HB2	H	1.403	0.005	2
578	1	45	LEU	HB3	H	1.740	0.002	2
579	1	45	LEU	HG	H	1.471	0.000	1
580	1	45	LEU	HD11	H	0.810	0.001	2
581	1	45	LEU	HD12	H	0.810	0.001	2
582	1	45	LEU	HD13	H	0.810	0.001	2
583	1	45	LEU	HD21	H	0.799	0.000	2
584	1	45	LEU	HD22	H	0.799	0.000	2
585	1	45	LEU	HD23	H	0.799	0.000	2
586	1	45	LEU	C	C	177.740	0.005	1
587	1	45	LEU	CA	C	57.869	0.044	1
588	1	45	LEU	CB	C	41.692	0.020	1
589	1	45	LEU	CG	C	26.863	0.000	1
590	1	45	LEU	CD1	C	23.812	0.002	1
591	1	45	LEU	CD2	C	25.030	0.000	1
592	1	45	LEU	N	N	119.271	0.007	1
593	1	46	ALA	H	H	7.596	0.000	1
594	1	46	ALA	HA	H	3.931	0.002	1
595	1	46	ALA	HB1	H	1.408	0.002	1
596	1	46	ALA	HB2	H	1.408	0.002	1
597	1	46	ALA	HB3	H	1.408	0.002	1
598	1	46	ALA	C	C	180.692	0.004	1
599	1	46	ALA	CA	C	55.190	0.059	1
600	1	46	ALA	CB	C	17.828	0.042	1
601	1	46	ALA	N	N	119.283	0.003	1
602	1	47	GLU	H	H	7.773	0.000	1
603	1	47	GLU	HA	H	3.920	0.002	1
604	1	47	GLU	HB2	H	2.085	0.002	2
605	1	47	GLU	HB3	H	2.085	0.002	2
606	1	47	GLU	HG2	H	2.370	0.002	2
607	1	47	GLU	HG3	H	2.370	0.002	2
608	1	47	GLU	C	C	178.440	0.004	1
609	1	47	GLU	CA	C	59.079	0.046	1
610	1	47	GLU	CB	C	29.289	0.070	1
611	1	47	GLU	CG	C	35.808	0.039	1
612	1	47	GLU	CD	C	182.784	0.000	1
613	1	47	GLU	N	N	120.020	0.019	1
614	1	48	ALA	H	H	8.231	0.000	1
615	1	48	ALA	HA	H	3.387	0.001	1
616	1	48	ALA	HB1	H	0.451	0.001	1
617	1	48	ALA	HB2	H	0.451	0.001	1
618	1	48	ALA	HB3	H	0.451	0.001	1
619	1	48	ALA	C	C	179.270	0.007	1
620	1	48	ALA	CA	C	55.123	0.040	1
621	1	48	ALA	CB	C	17.749	0.044	1
622	1	48	ALA	N	N	123.363	0.024	1
623	1	49	LYS	H	H	8.394	0.000	1
624	1	49	LYS	HA	H	3.682	0.001	1
625	1	49	LYS	HB2	H	1.666	0.002	2
626	1	49	LYS	HB3	H	1.851	0.001	2
627	1	49	LYS	HG2	H	1.246	0.002	2
628	1	49	LYS	HG3	H	1.532	0.001	2
629	1	49	LYS	HD2	H	1.596	0.002	2
630	1	49	LYS	HD3	H	1.507	0.000	2
631	1	49	LYS	HE2	H	2.756	0.002	2
632	1	49	LYS	HE3	H	2.857	0.001	2
633	1	49	LYS	C	C	178.335	0.003	1
634	1	49	LYS	CA	C	60.174	0.043	1
635	1	49	LYS	CB	C	32.026	0.017	1
636	1	49	LYS	CG	C	26.541	0.012	1
637	1	49	LYS	CD	C	29.156	0.042	1
638	1	49	LYS	CE	C	41.777	0.101	1
639	1	49	LYS	N	N	117.846	0.020	1
640	1	50	LYS	H	H	7.658	0.000	1
641	1	50	LYS	HA	H	3.896	0.002	1
642	1	50	LYS	HB2	H	1.741	0.009	2
643	1	50	LYS	HB3	H	1.782	0.004	2
644	1	50	LYS	HG2	H	1.346	0.006	2
645	1	50	LYS	HG3	H	1.429	0.001	2
646	1	50	LYS	HD2	H	1.622	0.000	2
647	1	50	LYS	HD3	H	1.622	0.000	2
648	1	50	LYS	HE2	H	2.923	0.000	2
649	1	50	LYS	HE3	H	2.923	0.000	2
650	1	50	LYS	C	C	179.519	0.014	1
651	1	50	LYS	CA	C	59.708	0.022	1
652	1	50	LYS	CB	C	32.193	0.019	1
653	1	50	LYS	CG	C	24.686	0.046	1
654	1	50	LYS	CD	C	29.012	0.000	1
655	1	50	LYS	CE	C	41.969	0.000	1
656	1	50	LYS	N	N	120.222	0.017	1
657	1	51	LEU	H	H	7.935	0.000	1
658	1	51	LEU	HA	H	4.113	0.002	1
659	1	51	LEU	HB2	H	1.629	0.002	2
660	1	51	LEU	HB3	H	1.699	0.002	2
661	1	51	LEU	HG	H	1.516	0.002	1
662	1	51	LEU	HD11	H	0.922	0.001	2
663	1	51	LEU	HD12	H	0.922	0.001	2
664	1	51	LEU	HD13	H	0.922	0.001	2
665	1	51	LEU	HD21	H	0.952	0.002	2
666	1	51	LEU	HD22	H	0.952	0.002	2
667	1	51	LEU	HD23	H	0.952	0.002	2
668	1	51	LEU	C	C	177.824	0.003	1
669	1	51	LEU	CA	C	57.510	0.050	1
670	1	51	LEU	CB	C	41.856	0.014	1
671	1	51	LEU	CG	C	26.876	0.000	1
672	1	51	LEU	CD1	C	23.774	0.038	1
673	1	51	LEU	CD2	C	24.778	0.011	1
674	1	51	LEU	N	N	122.073	0.024	1
675	1	52	ASN	H	H	8.458	0.000	1
676	1	52	ASN	HA	H	3.914	0.002	1
677	1	52	ASN	HB2	H	2.326	0.003	2
678	1	52	ASN	HB3	H	3.017	0.002	2
679	1	52	ASN	HD21	H	6.790	0.000	2
680	1	52	ASN	HD22	H	7.872	0.000	2
681	1	52	ASN	C	C	177.361	0.011	1
682	1	52	ASN	CA	C	57.915	0.062	1
683	1	52	ASN	CB	C	41.824	0.013	1
684	1	52	ASN	CG	C	173.521	0.005	1
685	1	52	ASN	N	N	116.971	0.017	1
686	1	52	ASN	ND2	N	116.152	0.032	1
687	1	53	ASP	H	H	8.183	0.000	1
688	1	53	ASP	HA	H	4.377	0.002	1
689	1	53	ASP	HB2	H	2.623	0.001	2
690	1	53	ASP	HB3	H	2.689	0.002	2
691	1	53	ASP	C	C	178.666	0.001	1
692	1	53	ASP	CA	C	56.882	0.072	1
693	1	53	ASP	CB	C	39.948	0.026	1
694	1	53	ASP	CG	C	179.064	0.000	1
695	1	53	ASP	N	N	118.772	0.018	1
696	1	54	ALA	H	H	7.976	0.000	1
697	1	54	ALA	HA	H	4.165	0.001	1
698	1	54	ALA	HB1	H	1.522	0.002	1
699	1	54	ALA	HB2	H	1.522	0.002	1
700	1	54	ALA	HB3	H	1.522	0.002	1
701	1	54	ALA	C	C	179.066	0.009	1
702	1	54	ALA	CA	C	54.307	0.059	1
703	1	54	ALA	CB	C	18.486	0.008	1
704	1	54	ALA	N	N	123.023	0.012	1
705	1	55	GLN	H	H	7.473	0.000	1
706	1	55	GLN	HA	H	4.304	0.001	1
707	1	55	GLN	HB2	H	2.401	0.001	2
708	1	55	GLN	HB3	H	1.750	0.001	2
709	1	55	GLN	HG2	H	2.560	0.001	2
710	1	55	GLN	HG3	H	2.224	0.006	2
711	1	55	GLN	HE21	H	7.222	0.000	2
712	1	55	GLN	HE22	H	9.010	0.000	2
713	1	55	GLN	C	C	173.866	0.008	1
714	1	55	GLN	CA	C	54.981	0.031	1
715	1	55	GLN	CB	C	28.274	0.027	1
716	1	55	GLN	CG	C	35.933	0.026	1
717	1	55	GLN	CD	C	181.394	0.006	1
718	1	55	GLN	N	N	115.053	0.019	1
719	1	55	GLN	NE2	N	111.505	0.029	1
720	1	56	ALA	H	H	7.037	0.000	1
721	1	56	ALA	HA	H	4.269	0.001	1
722	1	56	ALA	HB1	H	1.366	0.001	1
723	1	56	ALA	HB2	H	1.366	0.001	1
724	1	56	ALA	HB3	H	1.366	0.001	1
725	1	56	ALA	C	C	175.232	0.010	1
726	1	56	ALA	CA	C	51.028	0.038	1
727	1	56	ALA	CB	C	17.856	0.033	1
728	1	56	ALA	N	N	124.523	0.016	1
729	1	57	PRO	HA	H	4.338	0.002	1
730	1	57	PRO	HB2	H	1.881	0.003	2
731	1	57	PRO	HB3	H	2.226	0.003	2
732	1	57	PRO	HG2	H	1.977	0.001	2
733	1	57	PRO	HG3	H	2.022	0.001	2
734	1	57	PRO	HD2	H	3.545	0.002	2
735	1	57	PRO	HD3	H	3.708	0.001	2
736	1	57	PRO	C	C	175.824	0.003	1
737	1	57	PRO	CA	C	63.275	0.034	1
738	1	57	PRO	CB	C	31.909	0.040	1
739	1	57	PRO	CG	C	27.449	0.003	1
740	1	57	PRO	CD	C	50.498	0.020	1
741	1	57	PRO	N	N	136.702	0.000	1
742	1	58	LYS	H	H	7.995	0.000	1
743	1	58	LYS	HA	H	4.101	0.002	1
744	1	58	LYS	HB2	H	1.622	0.002	2
745	1	58	LYS	HB3	H	1.779	0.000	2
746	1	58	LYS	HG2	H	1.358	0.002	2
747	1	58	LYS	HG3	H	1.358	0.002	2
748	1	58	LYS	HD2	H	1.599	0.001	2
749	1	58	LYS	HD3	H	1.599	0.001	2
750	1	58	LYS	HE2	H	2.951	0.001	2
751	1	58	LYS	HE3	H	2.951	0.001	2
752	1	58	LYS	C	C	181.206	0.000	1
753	1	58	LYS	CA	C	57.340	0.034	1
754	1	58	LYS	CB	C	33.780	0.003	1
755	1	58	LYS	CG	C	24.640	0.006	1
756	1	58	LYS	CD	C	28.891	0.005	1
757	1	58	LYS	CE	C	42.341	0.000	1
758	1	58	LYS	N	N	127.458	0.020	1

Release date

2020-07-13

Citation

NMR Structure Determinations of Small Proteins Using only One Fractionally 20% ¹³C- and Uniformly 100% ¹⁵N-Labeled Sample
Heikkinen, H.A., Backlund, S.M., Iwai, H.
Molecules (2021), 26, 747-747, PubMed 33535444 , DOI 10.3390/molecules26030747 , Abstract

Related entities 1. Immunoglobulin G binding protein A, : 1 : 7 : 183 entities Detail

Interaction partners 1. Immunoglobulin G binding protein A, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

3 3D HNCA

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

4 2D CACO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

5 2D CON

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

6 3D HCCH-COSY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

7 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

8 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

9 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

10 3D HNCACBi

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

11 3D HNCO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

12 3D HNCOi

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

13 2D CACO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

14 2D CON

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

15 3D HCCH-COSY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protein A C domain	[U-20% 13C; U-100% 15N]		5.6 mM

16 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Protein A C domain	[U-20% 13C; U-100% 15N]		2.8 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34430_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34430_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	758		100.0 (chain: 1, length: 58)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 58, Sequence coverage: 100.0%

--------10--------20--------30--------40--------50--------
SDNKFNKEQQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAPK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SDNKFNKEQQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAPK

Total number of assignments
- ¹³C chemical shifts: 272
- ¹H chemical shifts: 418
- ¹⁵N chemical shifts: 68

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	ASP	CG	179.649
3	ASN	CG	176.688
6	ASN	CG	175.393
9	GLN	CD	179.331
10	GLN	CD	179.62
11	ASN	CG	175.83
15	GLU	CD	182.169
20	PRO	N	135.831
21	ASN	CG	177.016
24	GLU	CD	183.497
26	GLN	CD	179.843
28	ASN	CG	175.667
32	GLN	CD	180.301
36	ASP	CG	178.69
37	ASP	CG	181.075
38	PRO	N	134.778
43	GLU	CD	183.145
47	GLU	CD	182.784
52	ASN	CG	173.521
53	ASP	CG	179.064
55	GLN	CD	181.394
57	PRO	N	136.702

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	264	253	95.8
¹H chemical shifts	375	366	97.6
¹⁵N chemical shifts	67	65	97.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	116	116	100.0
¹H chemical shifts	114	110	96.5
¹⁵N chemical shifts	55	54	98.2

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	148	137	92.6
¹H chemical shifts	261	256	98.1
¹⁵N chemical shifts	12	11	91.7

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	26	26	100.0
¹H chemical shifts	26	26	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	21	11	52.4
¹H chemical shifts	21	19	90.5

Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Keywords PROTEIN BINDING, immune system, immunoglobulin-binding protein, three-helix bundle

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Found 1 Document (0.422 seconds)

BMRB: 34430

Related entities 1. Immunoglobulin G binding protein A, : 1 : 7 : 183 entities Detail

Interaction partners 1. Immunoglobulin G binding protein A, : 1 interactors Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail