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 : 99 : 81 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

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Found 1 Document (0.662 seconds)

BMRB: 30981

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Immunoglobulin G binding protein A, : 2 : 99 : 81 entities Detail

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

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail