BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.088	0.001	1
2	1	1	ALA	HB1	H	1.521	0.000	1
3	1	1	ALA	HB2	H	1.521	0.000	1
4	1	1	ALA	HB3	H	1.521	0.000	1
5	1	2	ASP	H	H	8.789	0.001	1
6	1	2	ASP	HA	H	4.625	0.000	1
7	1	2	ASP	HB2	H	2.581	0.002	2
8	1	2	ASP	HB3	H	2.703	0.002	2
9	1	3	ASN	H	H	8.582	0.001	1
10	1	3	ASN	HA	H	4.627	0.000	1
11	1	3	ASN	HB2	H	2.668	0.000	1
12	1	3	ASN	HB3	H	2.668	0.000	1
13	1	3	ASN	HD21	H	6.971	0.000	2
14	1	3	ASN	HD22	H	7.664	0.000	2
15	1	4	LYS	H	H	8.437	0.001	1
16	1	4	LYS	HA	H	4.191	0.002	1
17	1	4	LYS	HB2	H	1.674	0.000	2
18	1	4	LYS	HB3	H	1.726	0.000	2
19	1	4	LYS	HG2	H	1.279	0.003	1
20	1	4	LYS	HG3	H	1.279	0.003	1
21	1	4	LYS	HD2	H	1.621	0.004	1
22	1	4	LYS	HD3	H	1.621	0.004	1
23	1	4	LYS	HE2	H	2.950	0.002	1
24	1	4	LYS	HE3	H	2.950	0.002	1
25	1	5	PHE	H	H	8.335	0.004	1
26	1	5	PHE	HA	H	4.970	0.000	1
27	1	5	PHE	HB2	H	3.035	0.003	2
28	1	5	PHE	HB3	H	3.363	0.002	2
29	1	5	PHE	HD1	H	7.181	0.000	1
30	1	5	PHE	HD2	H	7.181	0.000	1
31	1	5	PHE	HE1	H	7.098	0.002	1
32	1	5	PHE	HE2	H	7.098	0.002	1
33	1	5	PHE	HZ	H	7.041	0.001	1
34	1	6	ASN	H	H	8.349	0.001	1
35	1	6	ASN	HA	H	4.702	0.000	1
36	1	6	ASN	HB2	H	2.923	0.000	2
37	1	6	ASN	HB3	H	3.211	0.004	2
38	1	6	ASN	HD21	H	7.012	0.000	2
39	1	6	ASN	HD22	H	7.617	0.000	2
40	1	7	LYS	H	H	8.464	0.000	1
41	1	7	LYS	HA	H	3.992	0.001	1
42	1	7	LYS	HB2	H	1.823	0.000	2
43	1	7	LYS	HB3	H	1.877	0.000	2
44	1	7	LYS	HG2	H	1.419	0.000	2
45	1	7	LYS	HG3	H	1.515	0.000	2
46	1	7	LYS	HD2	H	1.712	0.005	1
47	1	7	LYS	HD3	H	1.712	0.005	1
48	1	7	LYS	HE2	H	3.008	0.001	1
49	1	7	LYS	HE3	H	3.008	0.001	1
50	1	8	GLU	H	H	8.410	0.000	1
51	1	8	GLU	HA	H	4.114	0.001	1
52	1	8	GLU	HB2	H	2.074	0.001	2
53	1	8	GLU	HB3	H	2.143	0.001	2
54	1	8	GLU	HG2	H	2.370	0.000	1
55	1	8	GLU	HG3	H	2.370	0.000	1
56	1	9	GLN	H	H	8.566	0.000	1
57	1	9	GLN	HA	H	3.931	0.003	1
58	1	9	GLN	HB2	H	2.113	0.000	2
59	1	9	GLN	HB3	H	2.379	0.000	2
60	1	9	GLN	HG2	H	2.492	0.000	1
61	1	9	GLN	HG3	H	2.492	0.000	1
62	1	9	GLN	HE21	H	6.979	0.000	2
63	1	9	GLN	HE22	H	7.415	0.000	2
64	1	10	GLN	H	H	8.598	0.000	1
65	1	10	GLN	HA	H	4.048	0.003	1
66	1	10	GLN	HB2	H	2.215	0.000	1
67	1	10	GLN	HB3	H	2.215	0.000	1
68	1	10	GLN	HG2	H	2.482	0.000	1
69	1	10	GLN	HG3	H	2.482	0.000	1
70	1	10	GLN	HE21	H	7.067	0.000	2
71	1	10	GLN	HE22	H	7.414	0.000	2
72	1	11	ASN	H	H	8.377	0.001	1
73	1	11	ASN	HA	H	4.626	0.001	1
74	1	11	ASN	HB2	H	2.910	0.002	1
75	1	11	ASN	HB3	H	2.910	0.002	1
76	1	11	ASN	HD21	H	7.154	0.000	2
77	1	11	ASN	HD22	H	7.851	0.000	2
78	1	12	ALA	H	H	8.064	0.000	1
79	1	12	ALA	HA	H	4.098	0.001	1
80	1	12	ALA	HB1	H	1.498	0.000	1
81	1	12	ALA	HB2	H	1.498	0.000	1
82	1	12	ALA	HB3	H	1.498	0.000	1
83	1	13	PHE	H	H	8.322	0.000	1
84	1	13	PHE	HA	H	3.903	0.000	1
85	1	13	PHE	HB2	H	3.071	0.000	2
86	1	13	PHE	HB3	H	3.333	0.000	2
87	1	13	PHE	HD1	H	7.076	0.000	1
88	1	13	PHE	HD2	H	7.076	0.000	1
89	1	13	PHE	HE1	H	7.372	0.000	1
90	1	13	PHE	HE2	H	7.372	0.000	1
91	1	14	TYR	H	H	8.281	0.000	1
92	1	14	TYR	HA	H	3.763	0.001	1
93	1	14	TYR	HB2	H	3.199	0.000	1
94	1	14	TYR	HB3	H	3.199	0.000	1
95	1	14	TYR	HD1	H	7.131	0.000	1
96	1	14	TYR	HD2	H	7.131	0.000	1
97	1	14	TYR	HE1	H	6.746	0.000	1
98	1	14	TYR	HE2	H	6.746	0.000	1
99	1	15	GLU	H	H	8.519	0.000	1
100	1	15	GLU	HA	H	4.006	0.001	1
101	1	15	GLU	HB2	H	1.994	0.000	2
102	1	15	GLU	HB3	H	2.145	0.000	2
103	1	15	GLU	HG2	H	2.220	0.001	2
104	1	15	GLU	HG3	H	2.526	0.000	2
105	1	16	ILE	H	H	8.603	0.000	1
106	1	16	ILE	HA	H	3.366	0.003	1
107	1	16	ILE	HB	H	1.724	0.001	1
108	1	16	ILE	HG12	H	1.967	0.000	1
109	1	16	ILE	HG13	H	1.967	0.000	1
110	1	16	ILE	HG21	H	0.717	0.001	1
111	1	16	ILE	HG22	H	0.717	0.001	1
112	1	16	ILE	HG23	H	0.717	0.001	1
113	1	16	ILE	HD11	H	0.563	0.001	1
114	1	16	ILE	HD12	H	0.563	0.001	1
115	1	16	ILE	HD13	H	0.563	0.001	1
116	1	17	LEU	H	H	8.211	0.000	1
117	1	17	LEU	HA	H	3.654	0.001	1
118	1	17	LEU	HB2	H	1.048	0.002	2
119	1	17	LEU	HB3	H	1.255	0.002	2
120	1	17	LEU	HG	H	1.032	0.000	1
121	1	17	LEU	HD11	H	0.479	0.001	2
122	1	17	LEU	HD12	H	0.479	0.001	2
123	1	17	LEU	HD13	H	0.479	0.001	2
124	1	17	LEU	HD21	H	0.609	0.000	2
125	1	17	LEU	HD22	H	0.609	0.000	2
126	1	17	LEU	HD23	H	0.609	0.000	2
127	1	18	HIS	H	H	7.077	0.001	1
128	1	18	HIS	HA	H	4.472	0.001	1
129	1	18	HIS	HB2	H	2.775	0.002	2
130	1	18	HIS	HB3	H	3.445	0.001	2
131	1	18	HIS	HD2	H	6.962	0.000	1
132	1	18	HIS	HE1	H	8.288	0.000	1
133	1	19	LEU	H	H	7.141	0.000	1
134	1	19	LEU	HA	H	4.493	0.001	1
135	1	19	LEU	HB2	H	1.373	0.000	2
136	1	19	LEU	HB3	H	1.624	0.000	2
137	1	19	LEU	HG	H	2.202	0.003	1
138	1	19	LEU	HD11	H	0.658	0.002	2
139	1	19	LEU	HD12	H	0.658	0.002	2
140	1	19	LEU	HD13	H	0.658	0.002	2
141	1	19	LEU	HD21	H	0.852	0.001	2
142	1	19	LEU	HD22	H	0.852	0.001	2
143	1	19	LEU	HD23	H	0.852	0.001	2
144	1	20	PRO	HA	H	4.449	0.003	1
145	1	20	PRO	HB2	H	1.984	0.000	2
146	1	20	PRO	HB3	H	2.309	0.000	2
147	1	20	PRO	HG2	H	2.182	0.001	1
148	1	20	PRO	HG3	H	2.182	0.001	1
149	1	20	PRO	HD2	H	3.813	0.001	2
150	1	20	PRO	HD3	H	4.078	0.000	2
151	1	21	ASN	H	H	8.993	0.000	1
152	1	21	ASN	HA	H	5.002	0.000	1
153	1	21	ASN	HB2	H	2.903	0.000	1
154	1	21	ASN	HB3	H	2.903	0.000	1
155	1	21	ASN	HD21	H	7.008	0.000	2
156	1	21	ASN	HD22	H	7.587	0.000	2
157	1	22	LEU	H	H	6.502	0.002	1
158	1	22	LEU	HA	H	4.385	0.002	1
159	1	22	LEU	HB2	H	1.534	0.001	2
160	1	22	LEU	HB3	H	1.628	0.000	2
161	1	22	LEU	HG	H	1.628	0.003	1
162	1	22	LEU	HD11	H	0.843	0.000	2
163	1	22	LEU	HD12	H	0.843	0.000	2
164	1	22	LEU	HD13	H	0.843	0.000	2
165	1	22	LEU	HD21	H	0.903	0.001	2
166	1	22	LEU	HD22	H	0.903	0.001	2
167	1	22	LEU	HD23	H	0.903	0.001	2
168	1	23	ASN	H	H	8.591	0.000	1
169	1	23	ASN	HA	H	4.950	0.001	1
170	1	23	ASN	HB2	H	2.771	0.000	2
171	1	23	ASN	HB3	H	3.213	0.001	2
172	1	23	ASN	HD21	H	7.179	0.000	2
173	1	23	ASN	HD22	H	7.835	0.000	2
174	1	24	GLU	H	H	8.662	0.000	1
175	1	24	GLU	HA	H	4.059	0.001	1
176	1	24	GLU	HB2	H	1.969	0.000	1
177	1	24	GLU	HB3	H	1.969	0.000	1
178	1	24	GLU	HG2	H	2.497	0.000	1
179	1	24	GLU	HG3	H	2.497	0.000	1
180	1	25	B3E	H	H	7.739	0.001	1
181	1	25	B3E	HA1	H	2.331	0.000	2
182	1	25	B3E	HA2	H	2.622	0.000	2
183	1	25	B3E	HB	H	4.346	0.001	1
184	1	25	B3E	HD2	H	1.977	0.000	2
185	1	25	B3E	HD3	H	2.237	0.000	2
186	1	25	B3E	HG2	H	1.747	0.000	2
187	1	25	B3E	HG3	H	1.917	0.000	2
188	1	26	GLN	H	H	8.598	0.000	1
189	1	26	GLN	HA	H	3.855	0.001	1
190	1	26	GLN	HB2	H	2.003	0.000	2
191	1	26	GLN	HB3	H	2.682	0.000	2
192	1	26	GLN	HG2	H	2.587	0.000	1
193	1	26	GLN	HG3	H	2.587	0.000	1
194	1	26	GLN	HE21	H	8.438	0.000	2
195	1	26	GLN	HE22	H	7.774	0.000	2
196	1	27	ARG	H	H	8.701	0.000	1
197	1	27	ARG	HA	H	3.720	0.002	1
198	1	27	ARG	HB2	H	1.747	0.000	2
199	1	27	ARG	HB3	H	1.813	0.000	2
200	1	27	ARG	HG2	H	1.364	0.000	2
201	1	27	ARG	HG3	H	1.634	0.000	2
202	1	27	ARG	HD2	H	3.180	0.000	2
203	1	27	ARG	HD3	H	3.500	0.000	2
204	1	28	B3X	H	H	7.584	0.000	1
205	1	28	B3X	HA1	H	2.434	0.000	2
206	1	28	B3X	HA2	H	2.311	0.000	2
207	1	28	B3X	HB	H	4.571	0.002	1
208	1	28	B3X	HE21	H	6.650	0.000	2
209	1	28	B3X	HE22	H	7.677	0.000	2
210	1	28	B3X	HG2	H	2.483	0.000	2
211	1	28	B3X	HG3	H	2.771	0.000	2
212	1	29	ALA	H	H	8.177	0.000	1
213	1	29	ALA	HA	H	3.933	0.001	1
214	1	29	ALA	HB1	H	1.283	0.000	1
215	1	29	ALA	HB2	H	1.283	0.000	1
216	1	29	ALA	HB3	H	1.283	0.000	1
217	1	30	PHE	H	H	8.360	0.000	1
218	1	30	PHE	HA	H	4.406	0.002	1
219	1	30	PHE	HB2	H	2.931	0.000	2
220	1	30	PHE	HB3	H	3.356	0.001	2
221	1	30	PHE	HD1	H	7.310	0.000	1
222	1	30	PHE	HD2	H	7.310	0.000	1
223	1	30	PHE	HE1	H	7.093	0.000	1
224	1	30	PHE	HE2	H	7.093	0.000	1
225	1	30	PHE	HZ	H	7.311	0.000	1
226	1	31	ILE	H	H	8.595	0.000	1
227	1	31	ILE	HA	H	3.787	0.000	1
228	1	31	ILE	HB	H	2.038	0.003	1
229	1	31	ILE	HG12	H	1.787	0.000	1
230	1	31	ILE	HG13	H	1.787	0.000	1
231	1	31	ILE	HG21	H	1.096	0.003	1
232	1	31	ILE	HG22	H	1.096	0.003	1
233	1	31	ILE	HG23	H	1.096	0.003	1
234	1	31	ILE	HD11	H	0.727	0.001	1
235	1	31	ILE	HD12	H	0.727	0.001	1
236	1	31	ILE	HD13	H	0.727	0.001	1
237	1	32	B3Q	H8	H	2.481	0.000	1
238	1	32	B3Q	HA	H	2.387	0.001	2
239	1	32	B3Q	HAA	H	2.538	0.003	2
240	1	32	B3Q	HB	H	4.268	0.001	1
241	1	32	B3Q	HG	H	1.908	0.000	2
242	1	32	B3Q	HGA	H	2.027	0.000	2
243	1	32	B3Q	HN	H	8.194	0.000	1
244	1	33	SER	H	H	8.053	0.001	1
245	1	33	SER	HA	H	4.006	0.000	1
246	1	33	SER	HB2	H	4.162	0.000	1
247	1	33	SER	HB3	H	4.162	0.000	1
248	1	34	LEU	H	H	8.344	0.000	1
249	1	34	LEU	HA	H	3.832	0.001	1
250	1	34	LEU	HB2	H	1.719	0.001	2
251	1	34	LEU	HB3	H	1.775	0.000	2
252	1	34	LEU	HG	H	1.780	0.002	1
253	1	34	LEU	HD11	H	0.914	0.002	1
254	1	34	LEU	HD12	H	0.914	0.002	1
255	1	34	LEU	HD13	H	0.914	0.002	1
256	1	34	LEU	HD21	H	0.914	0.002	1
257	1	34	LEU	HD22	H	0.914	0.002	1
258	1	34	LEU	HD23	H	0.914	0.002	1
259	1	35	B3K	H	H	7.603	0.000	1
260	1	35	B3K	HA1	H	2.354	0.001	2
261	1	35	B3K	HA2	H	2.478	0.001	2
262	1	35	B3K	HB	H	4.111	0.002	1
263	1	35	B3K	HD2	H	1.438	0.000	1
264	1	35	B3K	HE2	H	1.717	0.000	1
265	1	35	B3K	HF1	H	2.962	0.000	1
266	1	35	B3K	HG2	H	1.614	0.000	2
267	1	35	B3K	HG3	H	1.718	0.000	2
268	1	36	ASP	H	H	8.233	0.000	1
269	1	36	ASP	HA	H	4.258	0.000	1
270	1	36	ASP	HB2	H	2.871	0.001	2
271	1	36	ASP	HB3	H	2.711	0.000	2
272	1	37	ASP	H	H	8.220	0.003	1
273	1	37	ASP	HA	H	4.984	0.001	1
274	1	37	ASP	HB2	H	2.637	0.002	2
275	1	37	ASP	HB3	H	3.002	0.001	2
276	1	38	PRO	HA	H	4.519	0.000	1
277	1	38	PRO	HB2	H	1.965	0.000	2
278	1	38	PRO	HB3	H	2.333	0.001	2
279	1	38	PRO	HG2	H	2.113	0.003	2
280	1	38	PRO	HG3	H	2.278	0.000	2
281	1	38	PRO	HD2	H	3.728	0.001	2
282	1	38	PRO	HD3	H	3.912	0.000	2
283	1	39	SER	H	H	8.217	0.000	1
284	1	39	SER	HA	H	4.305	0.001	1
285	1	39	SER	HB2	H	3.948	0.001	2
286	1	39	SER	HB3	H	4.050	0.001	2
287	1	40	GLN	H	H	7.793	0.000	1
288	1	40	GLN	HA	H	4.643	0.002	1
289	1	40	GLN	HB2	H	2.023	0.002	2
290	1	40	GLN	HB3	H	2.673	0.000	2
291	1	40	GLN	HG2	H	2.328	0.000	2
292	1	40	GLN	HG3	H	2.469	0.000	2
293	1	40	GLN	HE21	H	7.005	0.000	2
294	1	40	GLN	HE22	H	7.718	0.000	2
295	1	41	SER	H	H	7.771	0.000	1
296	1	41	SER	HA	H	3.738	0.000	1
297	1	41	SER	HB2	H	3.772	0.000	2
298	1	41	SER	HB3	H	4.011	0.001	2
299	1	42	ALA	H	H	8.612	0.000	1
300	1	42	ALA	HA	H	4.144	0.001	1
301	1	42	ALA	HB1	H	1.429	0.000	1
302	1	42	ALA	HB2	H	1.429	0.000	1
303	1	42	ALA	HB3	H	1.429	0.000	1
304	1	43	ASN	H	H	8.066	0.000	1
305	1	43	ASN	HA	H	4.547	0.001	1
306	1	43	ASN	HB2	H	2.904	0.000	1
307	1	43	ASN	HB3	H	2.904	0.000	1
308	1	43	ASN	HD21	H	7.060	0.000	2
309	1	43	ASN	HD22	H	7.874	0.000	2
310	1	44	LEU	H	H	8.653	0.000	1
311	1	44	LEU	HA	H	4.212	0.001	1
312	1	44	LEU	HB2	H	1.432	0.000	2
313	1	44	LEU	HB3	H	1.817	0.000	2
314	1	44	LEU	HG	H	1.878	0.002	1
315	1	44	LEU	HD11	H	0.834	0.000	2
316	1	44	LEU	HD12	H	0.834	0.000	2
317	1	44	LEU	HD13	H	0.834	0.000	2
318	1	44	LEU	HD21	H	1.114	0.001	2
319	1	44	LEU	HD22	H	1.114	0.001	2
320	1	44	LEU	HD23	H	1.114	0.001	2
321	1	45	LEU	H	H	8.527	0.000	1
322	1	45	LEU	HA	H	3.852	0.001	1
323	1	45	LEU	HB2	H	1.452	0.006	2
324	1	45	LEU	HB3	H	2.062	0.003	2
325	1	45	LEU	HG	H	1.536	0.001	1
326	1	45	LEU	HD11	H	0.913	0.002	1
327	1	45	LEU	HD12	H	0.913	0.002	1
328	1	45	LEU	HD13	H	0.913	0.002	1
329	1	45	LEU	HD21	H	0.913	0.002	1
330	1	45	LEU	HD22	H	0.913	0.002	1
331	1	45	LEU	HD23	H	0.913	0.002	1
332	1	46	ALA	H	H	7.668	0.000	1
333	1	46	ALA	HA	H	4.051	0.001	1
334	1	46	ALA	HB1	H	1.550	0.000	1
335	1	46	ALA	HB2	H	1.550	0.000	1
336	1	46	ALA	HB3	H	1.550	0.000	1
337	1	47	GLU	H	H	8.166	0.000	1
338	1	47	GLU	HA	H	4.069	0.002	1
339	1	47	GLU	HB2	H	2.299	0.000	2
340	1	47	GLU	HB3	H	2.363	0.000	2
341	1	47	GLU	HG2	H	2.516	0.000	2
342	1	47	GLU	HG3	H	2.607	0.001	2
343	1	48	ALA	H	H	8.705	0.000	1
344	1	48	ALA	HA	H	3.537	0.000	1
345	1	48	ALA	HB1	H	0.522	0.000	1
346	1	48	ALA	HB2	H	0.522	0.000	1
347	1	48	ALA	HB3	H	0.522	0.000	1
348	1	49	LYS	H	H	8.619	0.000	1
349	1	49	LYS	HA	H	3.770	0.002	1
350	1	49	LYS	HB2	H	1.759	0.000	2
351	1	49	LYS	HB3	H	1.969	0.000	2
352	1	49	LYS	HG2	H	1.338	0.001	1
353	1	49	LYS	HG3	H	1.338	0.001	1
354	1	49	LYS	HD2	H	1.672	0.003	1
355	1	49	LYS	HD3	H	1.672	0.003	1
356	1	49	LYS	HE2	H	2.837	0.000	2
357	1	49	LYS	HE3	H	2.947	0.000	2
358	1	50	LYS	H	H	7.662	0.000	1
359	1	50	LYS	HA	H	4.126	0.002	1
360	1	50	LYS	HB2	H	1.958	0.001	1
361	1	50	LYS	HB3	H	1.958	0.001	1
362	1	50	LYS	HG2	H	1.423	0.000	1
363	1	50	LYS	HG3	H	1.423	0.000	1
364	1	50	LYS	HD2	H	1.623	0.000	2
365	1	50	LYS	HD3	H	1.732	0.000	2
366	1	50	LYS	HE2	H	2.974	0.000	1
367	1	50	LYS	HE3	H	2.974	0.000	1
368	1	51	LEU	H	H	7.931	0.000	1
369	1	51	LEU	HA	H	4.181	0.000	1
370	1	51	LEU	HB2	H	1.698	0.003	2
371	1	51	LEU	HB3	H	1.794	0.000	2
372	1	51	LEU	HG	H	1.587	0.000	1
373	1	51	LEU	HD11	H	0.996	0.002	1
374	1	51	LEU	HD12	H	0.996	0.002	1
375	1	51	LEU	HD13	H	0.996	0.002	1
376	1	51	LEU	HD21	H	0.996	0.002	1
377	1	51	LEU	HD22	H	0.996	0.002	1
378	1	51	LEU	HD23	H	0.996	0.002	1
379	1	52	ASN	H	H	8.666	0.000	1
380	1	52	ASN	HA	H	3.941	0.001	1
381	1	52	ASN	HB2	H	2.381	0.001	2
382	1	52	ASN	HB3	H	3.109	0.001	2
383	1	52	ASN	HD21	H	6.974	0.000	2
384	1	52	ASN	HD22	H	8.005	0.000	2
385	1	53	ASP	H	H	8.313	0.001	1
386	1	53	ASP	HA	H	4.469	0.000	1
387	1	53	ASP	HB2	H	2.724	0.000	2
388	1	53	ASP	HB3	H	2.776	0.000	2
389	1	54	ALA	H	H	8.049	0.000	1
390	1	54	ALA	HA	H	4.256	0.001	1
391	1	54	ALA	HB1	H	1.606	0.000	1
392	1	54	ALA	HB2	H	1.606	0.000	1
393	1	54	ALA	HB3	H	1.606	0.000	1
394	1	55	GLN	H	H	7.585	0.000	1
395	1	55	GLN	HA	H	4.398	0.002	1
396	1	55	GLN	HB2	H	1.782	0.000	2
397	1	55	GLN	HB3	H	2.215	0.190	2
398	1	55	GLN	HG2	H	2.499	0.000	2
399	1	55	GLN	HG3	H	2.648	0.000	2
400	1	55	GLN	HE21	H	7.368	0.000	2
401	1	55	GLN	HE22	H	8.832	0.000	2
402	1	56	ALA	H	H	7.145	0.000	1
403	1	56	ALA	HA	H	4.347	0.001	1
404	1	56	ALA	HB1	H	1.447	0.000	1
405	1	56	ALA	HB2	H	1.447	0.000	1
406	1	56	ALA	HB3	H	1.447	0.000	1
407	1	57	PRO	HA	H	4.433	0.000	1
408	1	57	PRO	HB2	H	1.929	0.000	2
409	1	57	PRO	HB3	H	2.333	0.001	2
410	1	57	PRO	HG2	H	2.084	0.000	1
411	1	57	PRO	HG3	H	2.084	0.000	1
412	1	57	PRO	HD2	H	3.632	0.001	2
413	1	57	PRO	HD3	H	3.796	0.002	2
414	1	58	LYS	H	H	8.668	0.001	1
415	1	58	LYS	HA	H	4.297	0.001	1
416	1	58	LYS	HB2	H	1.782	0.000	2
417	1	58	LYS	HB3	H	1.878	0.000	2
418	1	58	LYS	HG2	H	1.533	0.000	1
419	1	58	LYS	HG3	H	1.533	0.000	1
420	1	58	LYS	HD2	H	1.692	0.000	1
421	1	58	LYS	HD3	H	1.692	0.000	1
422	1	58	LYS	HE2	H	3.040	0.000	1
423	1	58	LYS	HE3	H	3.040	0.000	1
424	1	58	LYS	HZ1	H	7.583	0.000	1
425	1	58	LYS	HZ2	H	7.583	0.000	1
426	1	58	LYS	HZ3	H	7.583	0.000	1
427	1	59	NH2	HN1	H	6.897	0.000	2
428	1	59	NH2	HN2	H	7.696	0.000	2

Release date

2022-02-02

Citation

Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Chem. Sci. (2022), 13, 11798-11806, PubMed 36320921 , DOI 10.1039/d2sc04427g , Abstract

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 30980 released on 2022-02-02
    Title B Domain of Staphylococcal protein A: Native backbone
  BMRB: 30982 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 2
  BMRB: 30983 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 3
  BMRB: 30984 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 3

Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 76 entities Detail

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

More details for 1 interactors identified by 1 citations

Experiments performed 4 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-E25, beta3-N27, beta3-Q32, beta3-K35	natural abundance		0.5 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-E25, beta3-N27, beta3-Q32, beta3-K35	natural abundance		0.5 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-E25, beta3-N27, beta3-Q32, beta3-K35	natural abundance		0.5 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-E25, beta3-N27, beta3-Q32, beta3-K35	natural abundance		0.5 mM
2	DSS	natural abundance		0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30981_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	25	B3E	(3S)-3-AMINOHEXANEDIOIC ACID	Assigned chemical shifts
1	28	B3X	(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID	Assigned chemical shifts
1	32	B3Q	(3S)-3,6-diamino-6-oxohexanoic acid	Assigned chemical shifts
1	35	B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	Assigned chemical shifts
1	59	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30981_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	428		100.0 (chain: 1, length: 59)
1	Chemical shift references	chem_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 59, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 428
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID
25	B3E
28	B3X
32	B3Q
35	B3K

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
58	LYS	HZ1	7.583
58	LYS	HZ2	7.583
58	LYS	HZ3	7.583

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	344	341	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	105	104	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	239	237	99.2

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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	20	95.2

Keywords DE NOVO PROTEIN

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.457 seconds)

BMRB: 30981

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 76 entities Detail

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

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail