BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.095	0.000	1
2	1	1	ALA	HB1	H	1.529	0.000	1
3	1	1	ALA	HB2	H	1.529	0.000	1
4	1	1	ALA	HB3	H	1.529	0.000	1
5	1	2	ASP	H	H	8.788	0.001	1
6	1	2	ASP	HA	H	4.633	0.001	1
7	1	2	ASP	HB2	H	2.583	0.001	2
8	1	2	ASP	HB3	H	2.708	0.002	2
9	1	3	ASN	H	H	8.584	0.000	1
10	1	3	ASN	HA	H	4.588	0.000	1
11	1	3	ASN	HB2	H	2.577	0.000	1
12	1	3	ASN	HB3	H	2.577	0.000	1
13	1	3	ASN	HD21	H	6.971	0.000	2
14	1	3	ASN	HD22	H	7.624	0.000	2
15	1	4	LYS	H	H	8.414	0.001	1
16	1	4	LYS	HA	H	4.166	0.000	1
17	1	4	LYS	HB2	H	1.654	0.000	2
18	1	4	LYS	HB3	H	1.689	0.000	2
19	1	4	LYS	HG2	H	1.250	0.001	1
20	1	4	LYS	HG3	H	1.250	0.001	1
21	1	4	LYS	HD2	H	1.608	0.000	1
22	1	4	LYS	HD3	H	1.608	0.000	1
23	1	4	LYS	HE2	H	2.944	0.001	1
24	1	4	LYS	HE3	H	2.944	0.001	1
25	1	5	PHE	H	H	8.285	0.002	1
26	1	5	PHE	HA	H	4.973	0.000	1
27	1	5	PHE	HB2	H	3.010	0.000	2
28	1	5	PHE	HB3	H	3.328	0.002	2
29	1	5	PHE	HD1	H	7.170	0.000	1
30	1	5	PHE	HD2	H	7.170	0.000	1
31	1	5	PHE	HE1	H	7.106	0.000	1
32	1	5	PHE	HE2	H	7.106	0.000	1
33	1	6	ASN	H	H	8.535	0.000	1
34	1	6	ASN	HA	H	4.702	0.001	1
35	1	6	ASN	HB2	H	2.950	0.000	2
36	1	6	ASN	HB3	H	3.236	0.000	2
37	1	6	ASN	HD21	H	7.012	0.000	2
38	1	6	ASN	HD22	H	7.644	0.000	2
39	1	7	LYS	H	H	8.484	0.000	1
40	1	7	LYS	HA	H	3.992	0.000	1
41	1	7	LYS	HB2	H	1.826	0.000	2
42	1	7	LYS	HB3	H	1.884	0.000	2
43	1	7	LYS	HG2	H	1.435	0.000	2
44	1	7	LYS	HG3	H	1.510	0.000	2
45	1	7	LYS	HD2	H	1.716	0.000	1
46	1	7	LYS	HD3	H	1.716	0.000	1
47	1	7	LYS	HE2	H	3.011	0.000	1
48	1	7	LYS	HE3	H	3.011	0.000	1
49	1	8	GLU	H	H	8.391	0.000	1
50	1	8	GLU	HA	H	4.110	0.001	1
51	1	8	GLU	HB2	H	2.069	0.000	2
52	1	8	GLU	HB3	H	2.162	0.000	2
53	1	8	GLU	HG2	H	2.374	0.000	1
54	1	8	GLU	HG3	H	2.374	0.000	1
55	1	9	GLN	H	H	8.630	0.000	1
56	1	9	GLN	HA	H	3.874	0.001	1
57	1	9	GLN	HB2	H	1.660	0.000	2
58	1	9	GLN	HB3	H	2.160	0.000	2
59	1	9	GLN	HG2	H	2.243	0.000	2
60	1	9	GLN	HG3	H	2.423	0.000	2
61	1	9	GLN	HE21	H	7.254	0.000	2
62	1	9	GLN	HE22	H	7.441	0.000	2
63	1	10	GLN	H	H	8.629	0.000	1
64	1	10	GLN	HA	H	3.989	0.002	1
65	1	10	GLN	HB2	H	2.200	0.000	1
66	1	10	GLN	HB3	H	2.200	0.000	1
67	1	10	GLN	HG2	H	2.483	0.000	1
68	1	10	GLN	HG3	H	2.483	0.000	1
69	1	10	GLN	HE21	H	6.984	0.000	2
70	1	10	GLN	HE22	H	7.364	0.000	2
71	1	11	ASN	H	H	8.343	0.000	1
72	1	11	ASN	HA	H	4.605	0.001	1
73	1	11	ASN	HB2	H	2.907	0.000	1
74	1	11	ASN	HB3	H	2.907	0.000	1
75	1	11	ASN	HD21	H	7.125	0.000	2
76	1	11	ASN	HD22	H	7.872	0.000	2
77	1	12	ALA	H	H	8.013	0.000	1
78	1	12	ALA	HA	H	4.114	0.001	1
79	1	12	ALA	HB1	H	1.474	0.000	1
80	1	12	ALA	HB2	H	1.474	0.000	1
81	1	12	ALA	HB3	H	1.474	0.000	1
82	1	13	PHE	H	H	8.341	0.000	1
83	1	13	PHE	HA	H	3.961	0.001	1
84	1	13	PHE	HB2	H	3.061	0.000	2
85	1	13	PHE	HB3	H	3.343	0.000	2
86	1	13	PHE	HD1	H	7.105	0.000	1
87	1	13	PHE	HD2	H	7.105	0.000	1
88	1	13	PHE	HE1	H	7.288	0.000	1
89	1	13	PHE	HE2	H	7.288	0.000	1
90	1	13	PHE	HZ	H	7.157	0.000	1
91	1	14	TYR	H	H	8.098	0.000	1
92	1	14	TYR	HA	H	3.991	0.002	1
93	1	14	TYR	HB2	H	3.230	0.000	2
94	1	14	TYR	HB3	H	3.267	0.000	2
95	1	14	TYR	HD1	H	6.693	0.000	1
96	1	14	TYR	HD2	H	6.693	0.000	1
97	1	14	TYR	HE1	H	7.135	0.000	1
98	1	14	TYR	HE2	H	7.135	0.000	1
99	1	15	GLU	H	H	8.638	0.000	1
100	1	15	GLU	HA	H	4.035	0.002	1
101	1	15	GLU	HB2	H	2.059	0.000	2
102	1	15	GLU	HB3	H	2.195	0.000	2
103	1	15	GLU	HG2	H	2.281	0.002	2
104	1	15	GLU	HG3	H	2.567	0.002	2
105	1	16	ILE	H	H	8.572	0.000	1
106	1	16	ILE	HA	H	3.445	0.000	1
107	1	16	ILE	HB	H	1.924	0.001	1
108	1	16	ILE	HG12	H	1.743	0.000	1
109	1	16	ILE	HG13	H	1.743	0.000	1
110	1	16	ILE	HG21	H	0.826	0.000	1
111	1	16	ILE	HG22	H	0.826	0.000	1
112	1	16	ILE	HG23	H	0.826	0.000	1
113	1	16	ILE	HD11	H	0.568	0.000	1
114	1	16	ILE	HD12	H	0.568	0.000	1
115	1	16	ILE	HD13	H	0.568	0.000	1
116	1	17	LEU	H	H	7.886	0.000	1
117	1	17	LEU	HA	H	3.736	0.001	1
118	1	17	LEU	HB2	H	1.117	0.001	2
119	1	17	LEU	HB3	H	1.538	0.004	2
120	1	17	LEU	HG	H	1.459	0.002	1
121	1	17	LEU	HD11	H	0.621	0.001	2
122	1	17	LEU	HD12	H	0.621	0.001	2
123	1	17	LEU	HD13	H	0.621	0.001	2
124	1	17	LEU	HD21	H	0.682	0.001	2
125	1	17	LEU	HD22	H	0.682	0.001	2
126	1	17	LEU	HD23	H	0.682	0.001	2
127	1	18	HIS	H	H	7.336	0.000	1
128	1	18	HIS	HA	H	4.479	0.002	1
129	1	18	HIS	HB2	H	2.750	0.000	2
130	1	18	HIS	HB3	H	3.469	0.000	2
131	1	18	HIS	HD2	H	7.071	0.000	1
132	1	18	HIS	HE1	H	8.268	0.000	1
133	1	19	LEU	H	H	7.298	0.000	1
134	1	19	LEU	HA	H	4.539	0.001	1
135	1	19	LEU	HB2	H	1.440	0.000	2
136	1	19	LEU	HB3	H	1.734	0.000	2
137	1	19	LEU	HG	H	2.156	0.001	1
138	1	19	LEU	HD11	H	0.688	0.000	2
139	1	19	LEU	HD12	H	0.688	0.000	2
140	1	19	LEU	HD13	H	0.688	0.000	2
141	1	19	LEU	HD21	H	0.872	0.000	2
142	1	19	LEU	HD22	H	0.872	0.000	2
143	1	19	LEU	HD23	H	0.872	0.000	2
144	1	20	PRO	HA	H	4.408	0.000	1
145	1	20	PRO	HB2	H	2.325	0.000	1
146	1	20	PRO	HB3	H	2.325	0.000	1
147	1	20	PRO	HG2	H	2.181	0.000	1
148	1	20	PRO	HG3	H	2.181	0.000	1
149	1	20	PRO	HD2	H	3.847	0.000	2
150	1	20	PRO	HD3	H	4.053	0.000	2
151	1	21	ASN	H	H	8.763	0.000	1
152	1	21	ASN	HA	H	5.014	0.000	1
153	1	21	ASN	HB2	H	2.901	0.000	2
154	1	21	ASN	HB3	H	3.063	0.000	2
155	1	21	ASN	HD21	H	7.199	0.000	2
156	1	21	ASN	HD22	H	7.535	0.000	2
157	1	22	LEU	H	H	6.598	0.000	1
158	1	22	LEU	HA	H	4.619	0.000	1
159	1	22	LEU	HB2	H	1.689	0.000	1
160	1	22	LEU	HB3	H	1.689	0.000	1
161	1	22	LEU	HG	H	1.716	0.000	1
162	1	22	LEU	HD11	H	0.831	0.000	2
163	1	22	LEU	HD12	H	0.831	0.000	2
164	1	22	LEU	HD13	H	0.831	0.000	2
165	1	22	LEU	HD21	H	0.926	0.000	2
166	1	22	LEU	HD22	H	0.926	0.000	2
167	1	22	LEU	HD23	H	0.926	0.000	2
168	1	23	ASN	H	H	8.620	0.000	1
169	1	23	ASN	HA	H	4.904	0.001	1
170	1	23	ASN	HB2	H	2.840	0.001	2
171	1	23	ASN	HB3	H	3.324	0.000	2
172	1	23	ASN	HD21	H	7.082	0.000	2
173	1	23	ASN	HD22	H	7.519	0.000	2
174	1	24	GLU	H	H	8.619	0.000	1
175	1	24	GLU	HA	H	3.924	0.002	1
176	1	24	GLU	HB2	H	2.013	0.000	1
177	1	24	GLU	HB3	H	2.013	0.000	1
178	1	24	GLU	HG2	H	2.371	0.000	1
179	1	24	GLU	HG3	H	2.371	0.000	1
180	1	25	GLU	H	H	8.274	0.000	1
181	1	25	GLU	HA	H	4.054	0.000	1
182	1	25	GLU	HB2	H	2.075	0.000	2
183	1	25	GLU	HB3	H	2.128	0.000	2
184	1	25	GLU	HG2	H	2.371	0.000	1
185	1	25	GLU	HG3	H	2.371	0.000	1
186	1	26	GLN	H	H	8.712	0.000	1
187	1	26	GLN	HA	H	4.044	0.000	1
188	1	26	GLN	HB2	H	2.380	0.000	2
189	1	26	GLN	HB3	H	2.443	0.000	2
190	1	26	GLN	HG2	H	2.795	0.000	1
191	1	26	GLN	HG3	H	2.795	0.000	1
192	1	26	GLN	HE21	H	7.085	0.000	2
193	1	26	GLN	HE22	H	7.948	0.000	2
194	1	27	ARG	H	H	8.686	0.000	1
195	1	27	ARG	HA	H	3.800	0.001	1
196	1	27	ARG	HB2	H	1.715	0.000	2
197	1	27	ARG	HB3	H	1.925	0.002	2
198	1	27	ARG	HG2	H	1.493	0.000	2
199	1	27	ARG	HG3	H	1.756	0.000	2
200	1	27	ARG	HD2	H	3.150	0.000	2
201	1	27	ARG	HD3	H	3.325	0.000	2
202	1	28	ASN	H	H	8.539	0.000	1
203	1	28	ASN	HA	H	4.416	0.000	1
204	1	28	ASN	HB2	H	2.795	0.000	2
205	1	28	ASN	HB3	H	2.915	0.000	2
206	1	28	ASN	HD21	H	7.085	0.000	2
207	1	28	ASN	HD22	H	7.728	0.000	2
208	1	29	ALA	H	H	8.032	0.000	1
209	1	29	ALA	HA	H	4.192	0.001	1
210	1	29	ALA	HB1	H	1.385	0.002	1
211	1	29	ALA	HB2	H	1.385	0.002	1
212	1	29	ALA	HB3	H	1.385	0.002	1
213	1	30	PHE	H	H	8.141	0.000	1
214	1	30	PHE	HA	H	4.284	0.002	1
215	1	30	PHE	HB2	H	2.981	0.000	2
216	1	30	PHE	HB3	H	3.147	0.001	2
217	1	30	PHE	HD1	H	7.326	0.000	1
218	1	30	PHE	HD2	H	7.326	0.000	1
219	1	30	PHE	HE1	H	7.356	0.000	1
220	1	30	PHE	HE2	H	7.356	0.000	1
221	1	30	PHE	HZ	H	7.092	0.001	1
222	1	31	ILE	H	H	8.480	0.000	1
223	1	31	ILE	HA	H	3.757	0.002	1
224	1	31	ILE	HB	H	2.091	0.002	1
225	1	31	ILE	HG12	H	1.336	0.000	2
226	1	31	ILE	HG13	H	1.703	0.000	2
227	1	31	ILE	HG21	H	0.924	0.000	1
228	1	31	ILE	HG22	H	0.924	0.000	1
229	1	31	ILE	HG23	H	0.924	0.000	1
230	1	31	ILE	HD11	H	0.728	0.001	1
231	1	31	ILE	HD12	H	0.728	0.001	1
232	1	31	ILE	HD13	H	0.728	0.001	1
233	1	32	GLN	H	H	8.243	0.000	1
234	1	32	GLN	HA	H	3.937	0.001	1
235	1	32	GLN	HB2	H	2.194	0.000	1
236	1	32	GLN	HB3	H	2.194	0.000	1
237	1	32	GLN	HG2	H	2.415	0.000	1
238	1	32	GLN	HG3	H	2.415	0.000	1
239	1	33	SER	H	H	8.137	0.000	1
240	1	33	SER	HA	H	4.278	0.001	1
241	1	33	SER	HB2	H	4.002	0.000	2
242	1	33	SER	HB3	H	4.053	0.000	2
243	1	34	LEU	H	H	8.261	0.001	1
244	1	34	LEU	HA	H	3.811	0.000	1
245	1	34	LEU	HB2	H	1.668	0.000	2
246	1	34	LEU	HB3	H	1.906	0.000	2
247	1	34	LEU	HG	H	1.760	0.003	1
248	1	34	LEU	HD11	H	0.795	0.001	2
249	1	34	LEU	HD12	H	0.795	0.001	2
250	1	34	LEU	HD13	H	0.795	0.001	2
251	1	34	LEU	HD21	H	0.835	0.000	2
252	1	34	LEU	HD22	H	0.835	0.000	2
253	1	34	LEU	HD23	H	0.835	0.000	2
254	1	35	LYS	H	H	7.904	0.000	1
255	1	35	LYS	HA	H	4.021	0.001	1
256	1	35	LYS	HB2	H	1.828	0.000	2
257	1	35	LYS	HB3	H	2.026	0.000	2
258	1	35	LYS	HG2	H	1.428	0.002	1
259	1	35	LYS	HG3	H	1.428	0.002	1
260	1	35	LYS	HD2	H	1.648	0.000	2
261	1	35	LYS	HD3	H	1.693	0.000	2
262	1	35	LYS	HE2	H	2.766	0.000	2
263	1	35	LYS	HE3	H	2.874	0.000	2
264	1	36	ASP	H	H	8.126	0.000	1
265	1	36	ASP	HA	H	4.471	0.001	1
266	1	36	ASP	HB2	H	2.782	0.000	1
267	1	36	ASP	HB3	H	2.782	0.000	1
268	1	37	ASP	H	H	7.804	0.000	1
269	1	37	ASP	HA	H	5.011	0.000	1
270	1	37	ASP	HB2	H	2.604	0.000	2
271	1	37	ASP	HB3	H	3.000	0.000	2
272	1	38	PRO	HA	H	4.494	0.000	1
273	1	38	PRO	HB2	H	2.021	0.000	2
274	1	38	PRO	HB3	H	2.342	0.000	2
275	1	38	PRO	HG2	H	2.126	0.000	2
276	1	38	PRO	HG3	H	2.234	0.000	2
277	1	38	PRO	HD2	H	3.660	0.000	2
278	1	38	PRO	HD3	H	3.868	0.000	2
279	1	39	SER	H	H	8.305	0.000	1
280	1	39	SER	HA	H	4.209	0.000	1
281	1	39	SER	HB2	H	3.986	0.000	1
282	1	39	SER	HB3	H	3.986	0.000	1
283	1	40	GLN	H	H	7.743	0.000	1
284	1	40	GLN	HA	H	4.731	0.001	1
285	1	40	GLN	HB2	H	1.917	0.000	2
286	1	40	GLN	HB3	H	2.593	0.000	2
287	1	40	GLN	HG2	H	2.323	0.000	2
288	1	40	GLN	HG3	H	2.426	0.000	2
289	1	40	GLN	HE21	H	6.920	0.000	2
290	1	40	GLN	HE22	H	7.755	0.000	2
291	1	41	SER	H	H	7.649	0.000	1
292	1	41	SER	HA	H	3.769	0.001	1
293	1	41	SER	HB2	H	3.878	0.000	1
294	1	41	SER	HB3	H	3.878	0.000	1
295	1	42	ALA	H	H	8.389	0.000	1
296	1	42	ALA	HA	H	4.095	0.000	1
297	1	42	ALA	HB1	H	1.389	0.002	1
298	1	42	ALA	HB2	H	1.389	0.002	1
299	1	42	ALA	HB3	H	1.389	0.002	1
300	1	43	B3X	H	H	7.626	0.000	1
301	1	43	B3X	HA1	H	2.484	0.000	2
302	1	43	B3X	HA2	H	2.621	0.000	2
303	1	43	B3X	HB	H	4.704	0.001	1
304	1	43	B3X	HE21	H	7.039	0.000	2
305	1	43	B3X	HE22	H	7.720	0.000	2
306	1	43	B3X	HG2	H	2.491	0.000	2
307	1	43	B3X	HG3	H	2.552	0.000	2
308	1	44	LEU	H	H	8.526	0.000	1
309	1	44	LEU	HA	H	4.140	0.000	1
310	1	44	LEU	HB2	H	1.346	0.000	2
311	1	44	LEU	HB3	H	1.980	0.000	2
312	1	44	LEU	HG	H	1.831	0.002	1
313	1	44	LEU	HD11	H	0.838	0.000	2
314	1	44	LEU	HD12	H	0.838	0.000	2
315	1	44	LEU	HD13	H	0.838	0.000	2
316	1	44	LEU	HD21	H	1.051	0.000	2
317	1	44	LEU	HD22	H	1.051	0.000	2
318	1	44	LEU	HD23	H	1.051	0.000	2
319	1	45	LEU	H	H	8.505	0.000	1
320	1	45	LEU	HA	H	3.894	0.001	1
321	1	45	LEU	HB2	H	1.545	0.000	2
322	1	45	LEU	HB3	H	1.993	0.000	2
323	1	45	LEU	HG	H	1.550	0.000	1
324	1	45	LEU	HD11	H	0.905	0.000	1
325	1	45	LEU	HD12	H	0.905	0.000	1
326	1	45	LEU	HD13	H	0.905	0.000	1
327	1	45	LEU	HD21	H	0.905	0.000	1
328	1	45	LEU	HD22	H	0.905	0.000	1
329	1	45	LEU	HD23	H	0.905	0.000	1
330	1	46	ALA	H	H	7.427	0.000	1
331	1	46	ALA	HA	H	4.005	0.001	1
332	1	46	ALA	HB1	H	1.579	0.000	1
333	1	46	ALA	HB2	H	1.579	0.000	1
334	1	46	ALA	HB3	H	1.579	0.000	1
335	1	47	B3E	H	H	7.640	0.000	1
336	1	47	B3E	HA1	H	2.498	0.002	2
337	1	47	B3E	HA2	H	2.815	0.002	2
338	1	47	B3E	HB	H	4.166	0.000	1
339	1	47	B3E	HD2	H	2.296	0.000	2
340	1	47	B3E	HD3	H	2.346	0.000	2
341	1	47	B3E	HG2	H	1.930	0.000	2
342	1	47	B3E	HG3	H	2.061	0.000	2
343	1	48	ALA	H	H	8.595	0.000	1
344	1	48	ALA	HA	H	3.390	0.003	1
345	1	48	ALA	HB1	H	0.603	0.000	1
346	1	48	ALA	HB2	H	0.603	0.000	1
347	1	48	ALA	HB3	H	0.603	0.000	1
348	1	49	LYS	H	H	8.503	0.000	1
349	1	49	LYS	HA	H	3.739	0.000	1
350	1	49	LYS	HB2	H	1.827	0.000	1
351	1	49	LYS	HB3	H	1.827	0.000	1
352	1	49	LYS	HG2	H	1.331	0.002	1
353	1	49	LYS	HG3	H	1.331	0.002	1
354	1	49	LYS	HD2	H	1.900	0.000	1
355	1	49	LYS	HD3	H	1.900	0.000	1
356	1	49	LYS	HE2	H	2.819	0.001	2
357	1	49	LYS	HE3	H	2.964	0.001	2
358	1	50	B3K	H	H	7.089	0.000	1
359	1	50	B3K	HA1	H	2.342	0.000	2
360	1	50	B3K	HA2	H	2.427	0.000	2
361	1	50	B3K	HB	H	4.218	0.001	1
362	1	50	B3K	HG2	H	1.649	0.000	2
363	1	50	B3K	HG3	H	1.726	0.000	2
364	1	50	B3K	HD2	H	1.486	0.002	1
365	1	50	B3K	HD3	H	1.486	0.002	1
366	1	50	B3K	HE2	H	1.682	0.000	1
367	1	50	B3K	HE3	H	1.682	0.000	1
368	1	50	B3K	HF1	H	2.974	0.001	1
369	1	50	B3K	HF2	H	2.974	0.001	1
370	1	51	LEU	H	H	7.951	0.000	1
371	1	51	LEU	HA	H	4.071	0.002	1
372	1	51	LEU	HB2	H	1.593	0.000	2
373	1	51	LEU	HB3	H	1.774	0.000	2
374	1	51	LEU	HG	H	1.706	0.003	1
375	1	51	LEU	HD11	H	0.978	0.000	2
376	1	51	LEU	HD12	H	0.978	0.000	2
377	1	51	LEU	HD13	H	0.978	0.000	2
378	1	51	LEU	HD21	H	1.025	0.000	2
379	1	51	LEU	HD22	H	1.025	0.000	2
380	1	51	LEU	HD23	H	1.025	0.000	2
381	1	52	ASN	H	H	8.915	0.000	1
382	1	52	ASN	HA	H	4.127	0.000	1
383	1	52	ASN	HB2	H	2.411	0.000	2
384	1	52	ASN	HB3	H	3.219	0.001	2
385	1	52	ASN	HD21	H	6.716	0.000	2
386	1	52	ASN	HD22	H	7.978	0.000	2
387	1	53	ASP	H	H	7.955	0.000	1
388	1	53	ASP	HA	H	4.599	0.000	1
389	1	53	ASP	HB2	H	2.670	0.001	2
390	1	53	ASP	HB3	H	2.818	0.001	2
391	1	54	B3A	H	H	7.512	0.001	1
392	1	54	B3A	HA1	H	2.421	0.000	2
393	1	54	B3A	HA2	H	2.688	0.000	2
394	1	54	B3A	HB	H	4.245	0.001	1
395	1	54	B3A	HG1	H	1.276	0.001	1
396	1	54	B3A	HG2	H	1.276	0.001	1
397	1	54	B3A	HG3	H	1.276	0.001	1
398	1	55	GLN	H	H	8.441	0.001	1
399	1	55	GLN	HA	H	4.302	0.001	1
400	1	55	GLN	HB2	H	1.940	0.001	2
401	1	55	GLN	HB3	H	2.057	0.000	2
402	1	55	GLN	HG2	H	2.376	0.003	2
403	1	55	GLN	HG3	H	2.435	0.000	2
404	1	56	ALA	H	H	8.001	0.000	1
405	1	56	ALA	HA	H	4.549	0.000	1
406	1	56	ALA	HB1	H	1.399	0.002	1
407	1	56	ALA	HB2	H	1.399	0.002	1
408	1	56	ALA	HB3	H	1.399	0.002	1
409	1	57	PRO	HA	H	4.443	0.000	1
410	1	57	PRO	HB2	H	1.925	0.000	2
411	1	57	PRO	HB3	H	2.335	0.000	2
412	1	57	PRO	HG2	H	2.066	0.000	1
413	1	57	PRO	HG3	H	2.066	0.000	1
414	1	57	PRO	HD2	H	3.660	0.002	2
415	1	57	PRO	HD3	H	3.837	0.002	2
416	1	58	LYS	H	H	8.616	0.001	1
417	1	58	LYS	HA	H	4.273	0.001	1
418	1	58	LYS	HB2	H	1.793	0.000	2
419	1	58	LYS	HB3	H	1.865	0.003	2
420	1	58	LYS	HG2	H	1.480	0.002	2
421	1	58	LYS	HG3	H	1.531	0.003	2
422	1	58	LYS	HD2	H	1.706	0.000	1
423	1	58	LYS	HD3	H	1.706	0.000	1
424	1	58	LYS	HE2	H	3.027	0.003	1
425	1	58	LYS	HE3	H	3.027	0.003	1
426	1	59	NH2	HN1	H	7.219	0.000	2
427	1	59	NH2	HN2	H	7.706	0.000	2

Release date

2022-02-02

Citation

Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
Horne, W.S., Santhouse, J.R., Leung, J.M.G., Chong, L.T.
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: 30981 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 2
  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: 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 : 75 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-N43, beta3-E47, beta3-K50, beta3-A54	natural abundance		0.9 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-N43, beta3-E47, beta3-K50, beta3-A54	natural abundance		0.9 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-N43, beta3-E47, beta3-K50, beta3-A54	natural abundance		0.9 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: beta3-N43, beta3-E47, beta3-K50, beta3-A54	natural abundance		0.9 mM
2	DSS	natural abundance		0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30983_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	43	B3X	(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID	Assigned chemical shifts
1	47	B3E	(3S)-3-AMINOHEXANEDIOIC ACID	Assigned chemical shifts
1	50	B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	Assigned chemical shifts
1	54	B3A	(3S)-3-AMINOBUTANOIC ACID	Assigned chemical shifts
1	59	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30983_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	427		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: 427
- 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
43	B3X
47	B3E
50	B3K
54	B3A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	349	342	98.0

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	244	238	97.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	25	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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BMRB: 30983

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 75 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