BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.108	0.000	1
2	1	1	ALA	HB1	H	1.541	0.000	1
3	1	1	ALA	HB2	H	1.541	0.000	1
4	1	1	ALA	HB3	H	1.541	0.000	1
5	1	2	ASP	H	H	8.648	0.001	1
6	1	2	ASP	HA	H	4.640	0.001	1
7	1	2	ASP	HB2	H	2.583	0.000	2
8	1	2	ASP	HB3	H	2.697	0.001	2
9	1	3	ASN	H	H	8.423	0.001	1
10	1	3	ASN	HA	H	4.608	0.001	1
11	1	3	ASN	HB2	H	2.613	0.000	1
12	1	3	ASN	HB3	H	2.613	0.000	1
13	1	3	ASN	HD21	H	6.868	0.000	2
14	1	3	ASN	HD22	H	7.524	0.000	2
15	1	4	LYS	H	H	8.267	0.002	1
16	1	4	LYS	HA	H	4.191	0.002	1
17	1	4	LYS	HB2	H	1.648	0.002	2
18	1	4	LYS	HB3	H	1.697	0.000	2
19	1	4	LYS	HG2	H	1.269	0.000	1
20	1	4	LYS	HG3	H	1.269	0.000	1
21	1	4	LYS	HD2	H	1.614	0.000	1
22	1	4	LYS	HD3	H	1.614	0.000	1
23	1	4	LYS	HE2	H	2.959	0.002	1
24	1	4	LYS	HE3	H	2.959	0.002	1
25	1	5	PHE	H	H	8.145	0.000	1
26	1	5	PHE	HA	H	5.009	0.001	1
27	1	5	PHE	HB2	H	3.019	0.003	2
28	1	5	PHE	HB3	H	3.352	0.001	2
29	1	5	PHE	HD1	H	7.149	0.000	1
30	1	5	PHE	HD2	H	7.149	0.000	1
31	1	5	PHE	HE1	H	7.102	0.000	1
32	1	5	PHE	HE2	H	7.102	0.000	1
33	1	6	ASN	H	H	8.452	0.003	1
34	1	6	ASN	HA	H	4.728	0.002	1
35	1	6	ASN	HB2	H	2.946	0.001	2
36	1	6	ASN	HB3	H	3.260	0.001	2
37	1	6	ASN	HD21	H	6.931	0.000	2
38	1	6	ASN	HD22	H	7.521	0.000	2
39	1	7	LYS	H	H	8.350	0.000	1
40	1	7	LYS	HA	H	4.001	0.001	1
41	1	7	LYS	HB2	H	1.827	0.000	2
42	1	7	LYS	HB3	H	1.885	0.000	2
43	1	7	LYS	HG2	H	1.445	0.001	2
44	1	7	LYS	HG3	H	1.523	0.000	2
45	1	7	LYS	HD2	H	1.723	0.000	1
46	1	7	LYS	HD3	H	1.723	0.000	1
47	1	7	LYS	HE2	H	3.026	0.001	1
48	1	7	LYS	HE3	H	3.026	0.001	1
49	1	8	GLU	H	H	8.311	0.000	1
50	1	8	GLU	HA	H	4.117	0.001	1
51	1	8	GLU	HB2	H	2.070	0.000	2
52	1	8	GLU	HB3	H	2.141	0.000	2
53	1	8	GLU	HG2	H	2.357	0.000	1
54	1	8	GLU	HG3	H	2.357	0.000	1
55	1	9	GLN	H	H	8.495	0.000	1
56	1	9	GLN	HA	H	3.911	0.000	1
57	1	9	GLN	HB2	H	2.189	0.000	1
58	1	9	GLN	HB3	H	2.189	0.000	1
59	1	9	GLN	HG2	H	2.454	0.000	1
60	1	9	GLN	HG3	H	2.454	0.000	1
61	1	9	GLN	HE21	H	6.999	0.000	2
62	1	9	GLN	HE22	H	7.256	0.000	2
63	1	10	GLN	H	H	8.614	0.000	1
64	1	10	GLN	HA	H	3.996	0.002	1
65	1	10	GLN	HB2	H	2.207	0.000	1
66	1	10	GLN	HB3	H	2.207	0.000	1
67	1	10	GLN	HG2	H	2.468	0.000	1
68	1	10	GLN	HG3	H	2.468	0.000	1
69	1	10	GLN	HE21	H	6.831	0.000	2
70	1	10	GLN	HE22	H	7.232	0.000	2
71	1	11	ASN	H	H	8.292	0.000	1
72	1	11	ASN	HA	H	4.620	0.002	1
73	1	11	ASN	HB2	H	2.917	0.000	1
74	1	11	ASN	HB3	H	2.917	0.000	1
75	1	11	ASN	HD21	H	7.001	0.000	2
76	1	11	ASN	HD22	H	7.741	0.000	2
77	1	12	ALA	H	H	7.959	0.000	1
78	1	12	ALA	HA	H	4.097	0.000	1
79	1	12	ALA	HB1	H	1.465	0.000	1
80	1	12	ALA	HB2	H	1.465	0.000	1
81	1	12	ALA	HB3	H	1.465	0.000	1
82	1	13	PHE	H	H	8.175	0.000	1
83	1	13	PHE	HA	H	3.881	0.001	1
84	1	13	PHE	HB2	H	3.002	0.000	2
85	1	13	PHE	HB3	H	3.306	0.000	2
86	1	13	PHE	HD1	H	7.059	0.000	1
87	1	13	PHE	HD2	H	7.059	0.000	1
88	1	13	PHE	HE1	H	7.285	0.000	1
89	1	13	PHE	HE2	H	7.285	0.000	1
90	1	14	TYR	H	H	8.149	0.000	1
91	1	14	TYR	HA	H	3.957	0.003	1
92	1	14	TYR	HB2	H	3.222	0.000	1
93	1	14	TYR	HB3	H	3.222	0.000	1
94	1	14	TYR	HD1	H	7.141	0.000	1
95	1	14	TYR	HD2	H	7.141	0.000	1
96	1	14	TYR	HE1	H	6.718	0.000	1
97	1	14	TYR	HE2	H	6.718	0.000	1
98	1	15	GLU	H	H	8.603	0.000	1
99	1	15	GLU	HA	H	4.015	0.000	1
100	1	15	GLU	HB2	H	2.013	0.000	2
101	1	15	GLU	HB3	H	2.182	0.000	2
102	1	15	GLU	HG2	H	2.284	0.000	2
103	1	15	GLU	HG3	H	2.493	0.000	2
104	1	16	ILE	H	H	8.435	0.000	1
105	1	16	ILE	HA	H	3.436	0.002	1
106	1	16	ILE	HB	H	1.806	0.002	1
107	1	16	ILE	HG12	H	1.857	0.000	1
108	1	16	ILE	HG13	H	1.857	0.000	1
109	1	16	ILE	HG21	H	0.792	0.000	1
110	1	16	ILE	HG22	H	0.792	0.000	1
111	1	16	ILE	HG23	H	0.792	0.000	1
112	1	16	ILE	HD11	H	0.554	0.000	1
113	1	16	ILE	HD12	H	0.554	0.000	1
114	1	16	ILE	HD13	H	0.554	0.000	1
115	1	17	LEU	H	H	7.888	0.000	1
116	1	17	LEU	HA	H	3.712	0.001	1
117	1	17	LEU	HB2	H	1.150	0.002	2
118	1	17	LEU	HB3	H	1.506	0.002	2
119	1	17	LEU	HG	H	1.395	0.003	1
120	1	17	LEU	HD11	H	0.590	0.002	2
121	1	17	LEU	HD12	H	0.590	0.002	2
122	1	17	LEU	HD13	H	0.590	0.002	2
123	1	17	LEU	HD21	H	0.679	0.001	2
124	1	17	LEU	HD22	H	0.679	0.001	2
125	1	17	LEU	HD23	H	0.679	0.001	2
126	1	18	HIS	H	H	7.271	0.001	1
127	1	18	HIS	HA	H	4.476	0.000	1
128	1	18	HIS	HB2	H	2.772	0.001	2
129	1	18	HIS	HB3	H	3.481	0.000	2
130	1	18	HIS	HD2	H	7.101	0.000	1
131	1	18	HIS	HE1	H	8.263	0.000	1
132	1	19	LEU	H	H	7.239	0.000	1
133	1	19	LEU	HA	H	4.513	0.001	1
134	1	19	LEU	HB2	H	1.364	0.001	2
135	1	19	LEU	HB3	H	1.749	0.000	2
136	1	19	LEU	HG	H	2.218	0.003	1
137	1	19	LEU	HD11	H	0.692	0.000	2
138	1	19	LEU	HD12	H	0.692	0.000	2
139	1	19	LEU	HD13	H	0.692	0.000	2
140	1	19	LEU	HD21	H	0.847	0.003	2
141	1	19	LEU	HD22	H	0.847	0.003	2
142	1	19	LEU	HD23	H	0.847	0.003	2
143	1	20	PRO	HA	H	4.389	0.001	1
144	1	20	PRO	HB2	H	1.981	0.000	2
145	1	20	PRO	HB3	H	2.316	0.000	2
146	1	20	PRO	HG2	H	2.041	0.000	2
147	1	20	PRO	HG3	H	2.177	0.000	2
148	1	20	PRO	HD2	H	3.816	0.000	2
149	1	20	PRO	HD3	H	4.067	0.000	2
150	1	21	ASN	H	H	8.918	0.000	1
151	1	21	ASN	HA	H	5.002	0.000	1
152	1	21	ASN	HB2	H	2.869	0.001	2
153	1	21	ASN	HB3	H	2.960	0.000	2
154	1	21	ASN	HD21	H	7.088	0.000	2
155	1	21	ASN	HD22	H	7.419	0.000	2
156	1	22	LEU	H	H	6.602	0.000	1
157	1	22	LEU	HA	H	4.537	0.001	1
158	1	22	LEU	HB2	H	1.616	0.000	2
159	1	22	LEU	HB3	H	1.699	0.000	2
160	1	22	LEU	HG	H	1.704	0.000	1
161	1	22	LEU	HD11	H	0.839	0.000	2
162	1	22	LEU	HD12	H	0.839	0.000	2
163	1	22	LEU	HD13	H	0.839	0.000	2
164	1	22	LEU	HD21	H	0.943	0.000	2
165	1	22	LEU	HD22	H	0.943	0.000	2
166	1	22	LEU	HD23	H	0.943	0.000	2
167	1	23	ASN	H	H	8.291	0.000	1
168	1	23	ASN	HA	H	4.895	0.002	1
169	1	23	ASN	HB2	H	2.857	0.000	2
170	1	23	ASN	HB3	H	3.294	0.000	2
171	1	23	ASN	HD21	H	7.044	0.000	2
172	1	23	ASN	HD22	H	7.508	0.000	2
173	1	24	GLU	H	H	8.658	0.000	1
174	1	24	GLU	HA	H	3.933	0.000	1
175	1	24	GLU	HB2	H	2.037	0.000	2
176	1	24	GLU	HB3	H	2.061	0.000	2
177	1	24	GLU	HG2	H	2.370	0.000	1
178	1	24	GLU	HG3	H	2.370	0.000	1
179	1	25	GLU	H	H	8.430	0.000	1
180	1	25	GLU	HA	H	4.102	0.002	1
181	1	25	GLU	HB2	H	2.029	0.000	2
182	1	25	GLU	HB3	H	2.129	0.000	2
183	1	25	GLU	HG2	H	2.347	0.000	1
184	1	25	GLU	HG3	H	2.347	0.000	1
185	1	26	GLN	H	H	8.391	0.000	1
186	1	26	GLN	HA	H	3.838	0.001	1
187	1	26	GLN	HB2	H	2.032	0.000	2
188	1	26	GLN	HB3	H	2.483	0.000	2
189	1	26	GLN	HG2	H	2.299	0.000	2
190	1	26	GLN	HG3	H	2.833	0.000	2
191	1	26	GLN	HE21	H	7.497	0.000	2
192	1	26	GLN	HE22	H	8.019	0.000	2
193	1	27	ARG	H	H	8.636	0.000	1
194	1	27	ARG	HA	H	3.789	0.001	1
195	1	27	ARG	HB2	H	1.732	0.000	2
196	1	27	ARG	HB3	H	1.897	0.000	2
197	1	27	ARG	HG2	H	1.527	0.000	2
198	1	27	ARG	HG3	H	1.732	0.001	2
199	1	27	ARG	HD2	H	3.204	0.000	2
200	1	27	ARG	HD3	H	3.380	0.000	2
201	1	28	ASN	H	H	8.472	0.000	1
202	1	28	ASN	HA	H	4.418	0.002	1
203	1	28	ASN	HB2	H	2.802	0.000	2
204	1	28	ASN	HB3	H	2.909	0.000	2
205	1	28	ASN	HD21	H	6.997	0.000	2
206	1	28	ASN	HD22	H	7.648	0.000	2
207	1	29	ALA	H	H	7.737	0.000	1
208	1	29	ALA	HA	H	4.171	0.000	1
209	1	29	ALA	HB1	H	1.286	0.000	1
210	1	29	ALA	HB2	H	1.286	0.000	1
211	1	29	ALA	HB3	H	1.286	0.000	1
212	1	30	PHE	H	H	7.806	0.002	1
213	1	30	PHE	HA	H	4.295	0.001	1
214	1	30	PHE	HB2	H	3.006	0.000	2
215	1	30	PHE	HB3	H	3.130	0.001	2
216	1	30	PHE	HD1	H	7.295	0.000	1
217	1	30	PHE	HD2	H	7.295	0.000	1
218	1	30	PHE	HE1	H	7.242	0.001	1
219	1	30	PHE	HE2	H	7.242	0.001	1
220	1	30	PHE	HZ	H	7.074	0.000	1
221	1	31	ILE	H	H	8.488	0.000	1
222	1	31	ILE	HA	H	3.757	0.001	1
223	1	31	ILE	HB	H	2.115	0.002	1
224	1	31	ILE	HG12	H	1.383	0.000	1
225	1	31	ILE	HG13	H	1.622	0.000	1
226	1	31	ILE	HG21	H	0.958	0.000	1
227	1	31	ILE	HG22	H	0.958	0.000	1
228	1	31	ILE	HG23	H	0.958	0.000	1
229	1	31	ILE	HD11	H	0.677	0.001	1
230	1	31	ILE	HD12	H	0.677	0.001	1
231	1	31	ILE	HD13	H	0.677	0.001	1
232	1	32	GLN	H	H	8.520	0.000	1
233	1	32	GLN	HA	H	3.942	0.001	1
234	1	32	GLN	HB2	H	2.173	0.000	2
235	1	32	GLN	HB3	H	2.219	0.000	2
236	1	32	GLN	HG2	H	2.429	0.000	1
237	1	32	GLN	HG3	H	2.429	0.000	1
238	1	32	GLN	HE21	H	6.902	0.000	2
239	1	32	GLN	HE22	H	7.752	0.000	2
240	1	33	SER	H	H	7.679	0.000	1
241	1	33	SER	HA	H	4.268	0.003	1
242	1	33	SER	HB2	H	3.932	0.000	2
243	1	33	SER	HB3	H	4.051	0.000	2
244	1	34	LEU	H	H	8.083	0.000	1
245	1	34	LEU	HA	H	3.835	0.001	1
246	1	34	LEU	HB2	H	1.691	0.000	2
247	1	34	LEU	HB3	H	1.844	0.004	2
248	1	34	LEU	HG	H	1.655	0.005	1
249	1	34	LEU	HD11	H	0.740	0.000	2
250	1	34	LEU	HD12	H	0.740	0.000	2
251	1	34	LEU	HD13	H	0.740	0.000	2
252	1	34	LEU	HD21	H	0.792	0.000	2
253	1	34	LEU	HD22	H	0.792	0.000	2
254	1	34	LEU	HD23	H	0.792	0.000	2
255	1	35	LYS	H	H	8.115	0.000	1
256	1	35	LYS	HA	H	4.008	0.000	1
257	1	35	LYS	HB2	H	1.933	0.000	2
258	1	35	LYS	HB3	H	1.989	0.000	2
259	1	35	LYS	HG2	H	1.445	0.000	1
260	1	35	LYS	HG3	H	1.445	0.000	1
261	1	35	LYS	HD2	H	1.684	0.000	1
262	1	35	LYS	HD3	H	1.684	0.000	1
263	1	35	LYS	HE2	H	2.849	0.001	2
264	1	35	LYS	HE3	H	2.896	0.000	2
265	1	36	ASP	H	H	8.000	0.000	1
266	1	36	ASP	HA	H	4.474	0.000	1
267	1	36	ASP	HB2	H	2.749	0.000	2
268	1	36	ASP	HB3	H	2.822	0.000	2
269	1	37	ASP	H	H	7.562	0.001	1
270	1	37	ASP	HA	H	4.954	0.001	1
271	1	37	ASP	HB2	H	2.608	0.002	2
272	1	37	ASP	HB3	H	2.977	0.002	2
273	1	38	PRO	HA	H	4.511	0.002	1
274	1	38	PRO	HB2	H	1.987	0.000	2
275	1	38	PRO	HB3	H	2.268	0.002	2
276	1	38	PRO	HG2	H	2.123	0.001	2
277	1	38	PRO	HG3	H	2.217	0.000	2
278	1	38	PRO	HD2	H	3.691	0.001	2
279	1	38	PRO	HD3	H	3.875	0.000	2
280	1	39	SER	H	H	8.122	0.000	1
281	1	39	SER	HA	H	4.311	0.002	1
282	1	39	SER	HB2	H	3.981	0.000	2
283	1	39	SER	HB3	H	4.047	0.000	2
284	1	40	GLN	H	H	7.842	0.001	1
285	1	40	GLN	HA	H	4.725	0.001	1
286	1	40	GLN	HB2	H	1.944	0.002	2
287	1	40	GLN	HB3	H	2.550	0.000	2
288	1	40	GLN	HG2	H	2.307	0.000	2
289	1	40	GLN	HG3	H	2.423	0.000	2
290	1	40	GLN	HE21	H	6.662	0.000	2
291	1	40	GLN	HE22	H	7.432	0.000	2
292	1	41	SER	H	H	7.597	0.000	1
293	1	41	SER	HA	H	3.763	0.000	1
294	1	41	SER	HB2	H	3.913	0.000	1
295	1	41	SER	HB3	H	3.913	0.000	1
296	1	42	ALA	H	H	8.292	0.000	1
297	1	42	ALA	HA	H	4.045	0.000	1
298	1	42	ALA	HB1	H	1.419	0.000	1
299	1	42	ALA	HB2	H	1.419	0.000	1
300	1	42	ALA	HB3	H	1.419	0.000	1
301	1	43	AIB	H	H	7.970	0.000	1
302	1	43	AIB	HB11	H	1.417	0.000	2
303	1	43	AIB	HB12	H	1.417	0.000	2
304	1	43	AIB	HB13	H	1.417	0.000	2
305	1	43	AIB	HB21	H	1.566	0.000	2
306	1	43	AIB	HB22	H	1.566	0.000	2
307	1	43	AIB	HB23	H	1.566	0.000	2
308	1	44	LEU	H	H	8.328	0.000	1
309	1	44	LEU	HA	H	4.048	0.001	1
310	1	44	LEU	HB2	H	1.266	0.001	2
311	1	44	LEU	HB3	H	1.903	0.000	2
312	1	44	LEU	HG	H	1.905	0.003	1
313	1	44	LEU	HD11	H	0.830	0.002	2
314	1	44	LEU	HD12	H	0.830	0.002	2
315	1	44	LEU	HD13	H	0.830	0.002	2
316	1	44	LEU	HD21	H	1.063	0.001	2
317	1	44	LEU	HD22	H	1.063	0.001	2
318	1	44	LEU	HD23	H	1.063	0.001	2
319	1	45	LEU	H	H	8.312	0.000	1
320	1	45	LEU	HA	H	3.889	0.002	1
321	1	45	LEU	HB2	H	1.527	0.000	2
322	1	45	LEU	HB3	H	1.913	0.002	2
323	1	45	LEU	HG	H	1.550	0.000	1
324	1	45	LEU	HD11	H	0.902	0.000	1
325	1	45	LEU	HD12	H	0.902	0.000	1
326	1	45	LEU	HD13	H	0.902	0.000	1
327	1	45	LEU	HD21	H	0.902	0.000	1
328	1	45	LEU	HD22	H	0.902	0.000	1
329	1	45	LEU	HD23	H	0.902	0.000	1
330	1	46	ALA	H	H	7.717	0.002	1
331	1	46	ALA	HA	H	3.957	0.000	1
332	1	46	ALA	HB1	H	1.521	0.000	1
333	1	46	ALA	HB2	H	1.521	0.000	1
334	1	46	ALA	HB3	H	1.521	0.000	1
335	1	47	AIB	H	H	8.099	0.000	1
336	1	47	AIB	HB11	H	1.407	0.000	2
337	1	47	AIB	HB12	H	1.407	0.000	2
338	1	47	AIB	HB13	H	1.407	0.000	2
339	1	47	AIB	HB21	H	1.676	0.000	2
340	1	47	AIB	HB22	H	1.676	0.000	2
341	1	47	AIB	HB23	H	1.676	0.000	2
342	1	48	ALA	H	H	8.099	0.000	1
343	1	48	ALA	HA	H	3.379	0.001	1
344	1	48	ALA	HB1	H	0.550	0.000	1
345	1	48	ALA	HB2	H	0.550	0.000	1
346	1	48	ALA	HB3	H	0.550	0.000	1
347	1	49	LYS	H	H	8.411	0.000	1
348	1	49	LYS	HA	H	3.650	0.001	1
349	1	49	LYS	HB2	H	1.794	0.000	2
350	1	49	LYS	HB3	H	1.905	0.000	2
351	1	49	LYS	HG2	H	1.310	0.000	1
352	1	49	LYS	HG3	H	1.310	0.000	1
353	1	49	LYS	HD2	H	1.591	0.000	2
354	1	49	LYS	HD3	H	1.677	0.000	2
355	1	49	LYS	HE2	H	2.845	0.000	2
356	1	49	LYS	HE3	H	2.937	0.000	2
357	1	50	AIB	H	H	8.003	0.000	1
358	1	50	AIB	HB11	H	1.410	0.000	2
359	1	50	AIB	HB12	H	1.410	0.000	2
360	1	50	AIB	HB13	H	1.410	0.000	2
361	1	50	AIB	HB21	H	1.575	0.000	2
362	1	50	AIB	HB22	H	1.575	0.000	2
363	1	50	AIB	HB23	H	1.575	0.000	2
364	1	51	LEU	H	H	7.733	0.000	1
365	1	51	LEU	HA	H	3.959	0.001	1
366	1	51	LEU	HB2	H	1.619	0.000	2
367	1	51	LEU	HB3	H	1.815	0.001	2
368	1	51	LEU	HG	H	1.577	0.000	1
369	1	51	LEU	HD11	H	0.897	0.000	2
370	1	51	LEU	HD12	H	0.897	0.000	2
371	1	51	LEU	HD13	H	0.897	0.000	2
372	1	51	LEU	HD21	H	0.950	0.000	2
373	1	51	LEU	HD22	H	0.950	0.000	2
374	1	51	LEU	HD23	H	0.950	0.000	2
375	1	52	ASN	H	H	8.600	0.001	1
376	1	52	ASN	HA	H	3.973	0.000	1
377	1	52	ASN	HB2	H	3.213	0.000	1
378	1	52	ASN	HB3	H	3.213	0.000	1
379	1	52	ASN	HD21	H	6.754	0.000	2
380	1	52	ASN	HD22	H	7.908	0.000	2
381	1	53	ASP	H	H	7.966	0.001	1
382	1	53	ASP	HA	H	4.439	0.000	1
383	1	53	ASP	HB2	H	2.722	0.000	2
384	1	53	ASP	HB3	H	2.795	0.000	2
385	1	54	AIB	H	H	8.161	0.001	1
386	1	54	AIB	HB11	H	1.560	0.000	2
387	1	54	AIB	HB12	H	1.560	0.000	2
388	1	54	AIB	HB13	H	1.560	0.000	2
389	1	54	AIB	HB21	H	1.626	0.000	2
390	1	54	AIB	HB22	H	1.626	0.000	2
391	1	54	AIB	HB23	H	1.626	0.000	2
392	1	55	GLN	H	H	7.573	0.002	1
393	1	55	GLN	HA	H	4.315	0.001	1
394	1	55	GLN	HB2	H	1.822	0.000	2
395	1	55	GLN	HB3	H	2.304	0.000	2
396	1	55	GLN	HG2	H	2.520	0.000	2
397	1	55	GLN	HG3	H	2.649	0.000	2
398	1	55	GLN	HE21	H	7.193	0.000	2
399	1	55	GLN	HE22	H	8.415	0.000	2
400	1	56	ALA	H	H	7.419	0.000	1
401	1	56	ALA	HA	H	4.320	0.000	1
402	1	56	ALA	HB1	H	1.485	0.000	1
403	1	56	ALA	HB2	H	1.485	0.000	1
404	1	56	ALA	HB3	H	1.485	0.000	1
405	1	57	PRO	HA	H	4.445	0.002	1
406	1	57	PRO	HB2	H	1.938	0.000	2
407	1	57	PRO	HB3	H	2.337	0.000	2
408	1	57	PRO	HG2	H	2.090	0.006	2
409	1	57	PRO	HG3	H	2.125	0.001	2
410	1	57	PRO	HD2	H	3.631	0.000	2
411	1	57	PRO	HD3	H	3.803	0.000	2
412	1	58	LYS	H	H	8.495	0.001	1
413	1	58	LYS	HA	H	4.332	0.001	1
414	1	58	LYS	HB2	H	1.789	0.001	2
415	1	58	LYS	HB3	H	1.900	0.003	2
416	1	58	LYS	HG2	H	1.489	0.001	2
417	1	58	LYS	HG3	H	1.546	0.000	2
418	1	58	LYS	HD2	H	1.714	0.001	1
419	1	58	LYS	HD3	H	1.714	0.001	1
420	1	58	LYS	HE2	H	3.067	0.002	1
421	1	58	LYS	HE3	H	3.067	0.002	1
422	1	59	NH2	HN1	H	7.085	0.000	2
423	1	59	NH2	HN2	H	7.576	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: 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: 30983 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-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 3 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib43, Aib47, Aib50, Aib54	natural abundance		1.32 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib43, Aib47, Aib50, Aib54	natural abundance		1.32 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib43, Aib47, Aib50, Aib54	natural abundance		1.32 mM
2	DSS	natural abundance		0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30984_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	OK

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	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	47	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	50	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	54	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	59	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30984_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	423		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: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 59, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 423
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	369	357	96.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	108	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	260	249	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	33	100.0

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

Keywords DE NOVO PROTEIN

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Found 1 Document (0.534 seconds)

BMRB: 30984

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 3 experiments Detail

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Chemical shift validation 3 contents Detail