BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.125	0.000	1
2	1	1	ALA	HB1	H	1.548	0.000	1
3	1	1	ALA	HB2	H	1.548	0.000	1
4	1	1	ALA	HB3	H	1.548	0.000	1
5	1	2	ASP	H	H	8.680	0.000	1
6	1	2	ASP	HA	H	4.666	0.000	1
7	1	2	ASP	HB2	H	2.734	0.001	2
8	1	2	ASP	HB3	H	2.621	0.005	2
9	1	3	ASN	H	H	8.471	0.000	1
10	1	3	ASN	HA	H	4.651	0.000	1
11	1	3	ASN	HB2	H	2.742	0.000	1
12	1	3	ASN	HB3	H	2.742	0.000	1
13	1	3	ASN	HD21	H	6.864	0.000	2
14	1	3	ASN	HD22	H	7.576	0.000	2
15	1	4	LYS	H	H	8.223	0.000	1
16	1	4	LYS	HA	H	4.200	0.002	1
17	1	4	LYS	HB2	H	1.728	0.000	2
18	1	4	LYS	HB3	H	1.672	0.000	2
19	1	4	LYS	HG2	H	1.267	0.000	1
20	1	4	LYS	HG3	H	1.267	0.000	1
21	1	4	LYS	HD2	H	1.618	0.000	1
22	1	4	LYS	HD3	H	1.618	0.000	1
23	1	4	LYS	HE2	H	2.963	0.000	1
24	1	4	LYS	HE3	H	2.963	0.000	1
25	1	5	PHE	H	H	8.214	0.000	1
26	1	5	PHE	HA	H	4.934	0.000	1
27	1	5	PHE	HB2	H	3.321	0.000	2
28	1	5	PHE	HB3	H	2.988	0.000	2
29	1	5	PHE	HD1	H	7.194	0.000	1
30	1	5	PHE	HD2	H	7.194	0.000	1
31	1	5	PHE	HE1	H	7.065	0.000	1
32	1	5	PHE	HE2	H	7.065	0.000	1
33	1	5	PHE	HZ	H	6.992	0.000	1
34	1	6	ASN	H	H	8.345	0.000	1
35	1	6	ASN	HA	H	4.755	0.004	1
36	1	6	ASN	HB2	H	3.227	0.001	2
37	1	6	ASN	HB3	H	2.957	0.001	2
38	1	6	ASN	HD21	H	6.952	0.000	2
39	1	6	ASN	HD22	H	7.539	0.000	2
40	1	7	LYS	H	H	8.383	0.000	1
41	1	7	LYS	HA	H	3.982	0.003	1
42	1	7	LYS	HB2	H	1.870	0.000	2
43	1	7	LYS	HB3	H	1.833	0.002	2
44	1	7	LYS	HG2	H	1.511	0.000	2
45	1	7	LYS	HG3	H	1.456	0.000	2
46	1	7	LYS	HD2	H	1.717	0.001	1
47	1	7	LYS	HD3	H	1.717	0.001	1
48	1	7	LYS	HE2	H	3.024	0.002	1
49	1	7	LYS	HE3	H	3.024	0.002	1
50	1	8	GLU	H	H	8.342	0.000	1
51	1	8	GLU	HA	H	4.114	0.001	1
52	1	8	GLU	HB2	H	2.125	0.000	2
53	1	8	GLU	HB3	H	2.072	0.000	2
54	1	8	GLU	HG2	H	2.343	0.000	1
55	1	8	GLU	HG3	H	2.343	0.000	1
56	1	9	GLN	H	H	8.386	0.000	1
57	1	9	GLN	HA	H	3.913	0.002	1
58	1	9	GLN	HB2	H	2.160	0.000	2
59	1	9	GLN	HB3	H	1.515	0.000	2
60	1	9	GLN	HG2	H	2.373	0.000	1
61	1	9	GLN	HG3	H	2.373	0.000	1
62	1	9	GLN	HE21	H	6.811	0.000	2
63	1	9	GLN	HE22	H	7.311	0.000	2
64	1	10	GLN	H	H	8.454	0.000	1
65	1	10	GLN	HA	H	3.977	0.000	1
66	1	10	GLN	HB2	H	2.163	0.000	1
67	1	10	GLN	HB3	H	2.163	0.000	1
68	1	10	GLN	HG2	H	2.356	0.000	1
69	1	10	GLN	HG3	H	2.356	0.000	1
70	1	10	GLN	HE21	H	6.809	0.000	2
71	1	10	GLN	HE22	H	7.554	0.000	2
72	1	11	ASN	H	H	8.355	0.000	1
73	1	11	ASN	HA	H	4.600	0.000	1
74	1	11	ASN	HB2	H	2.916	0.002	1
75	1	11	ASN	HB3	H	2.916	0.002	1
76	1	11	ASN	HD21	H	6.988	0.000	2
77	1	11	ASN	HD22	H	7.743	0.000	2
78	1	12	ALA	H	H	8.022	0.000	1
79	1	12	ALA	HA	H	4.088	0.001	1
80	1	12	ALA	HB1	H	1.458	0.000	1
81	1	12	ALA	HB2	H	1.458	0.000	1
82	1	12	ALA	HB3	H	1.458	0.000	1
83	1	13	PHE	H	H	8.052	0.000	1
84	1	13	PHE	HA	H	3.862	0.000	1
85	1	13	PHE	HB2	H	3.170	0.000	2
86	1	13	PHE	HB3	H	3.065	0.002	2
87	1	13	PHE	HD1	H	7.017	0.001	1
88	1	13	PHE	HD2	H	7.017	0.001	1
89	1	13	PHE	HE1	H	7.066	0.000	1
90	1	13	PHE	HE2	H	7.066	0.000	1
91	1	14	TYR	H	H	8.042	0.000	1
92	1	14	TYR	HA	H	3.913	0.000	1
93	1	14	TYR	HB2	H	3.165	0.000	1
94	1	14	TYR	HB3	H	3.165	0.000	1
95	1	14	TYR	HD1	H	7.079	0.000	1
96	1	14	TYR	HD2	H	7.079	0.000	1
97	1	14	TYR	HE1	H	6.662	0.000	1
98	1	14	TYR	HE2	H	6.662	0.000	1
99	1	15	GLU	H	H	8.659	0.000	1
100	1	15	GLU	HA	H	4.018	0.001	1
101	1	15	GLU	HB2	H	2.164	0.000	2
102	1	15	GLU	HB3	H	2.006	0.000	2
103	1	15	GLU	HG2	H	2.469	0.001	2
104	1	15	GLU	HG3	H	2.275	0.001	2
105	1	16	ILE	H	H	8.327	0.000	1
106	1	16	ILE	HA	H	3.409	0.001	1
107	1	16	ILE	HB	H	1.808	0.001	1
108	1	16	ILE	HG12	H	1.812	0.000	1
109	1	16	ILE	HG13	H	1.812	0.000	1
110	1	16	ILE	HG21	H	0.768	0.001	1
111	1	16	ILE	HG22	H	0.768	0.001	1
112	1	16	ILE	HG23	H	0.768	0.001	1
113	1	16	ILE	HD11	H	0.532	0.000	1
114	1	16	ILE	HD12	H	0.532	0.000	1
115	1	16	ILE	HD13	H	0.532	0.000	1
116	1	17	LEU	H	H	7.667	0.000	1
117	1	17	LEU	HA	H	3.779	0.001	1
118	1	17	LEU	HB2	H	1.570	0.000	2
119	1	17	LEU	HB3	H	1.225	0.000	2
120	1	17	LEU	HG	H	1.570	0.002	1
121	1	17	LEU	HD11	H	0.602	0.000	2
122	1	17	LEU	HD12	H	0.602	0.000	2
123	1	17	LEU	HD13	H	0.602	0.000	2
124	1	17	LEU	HD21	H	0.673	0.000	2
125	1	17	LEU	HD22	H	0.673	0.000	2
126	1	17	LEU	HD23	H	0.673	0.000	2
127	1	18	HIS	H	H	7.416	0.000	1
128	1	18	HIS	HA	H	4.516	0.001	1
129	1	18	HIS	HB2	H	3.417	0.001	2
130	1	18	HIS	HB3	H	2.797	0.000	2
131	1	18	HIS	HD2	H	7.112	0.000	1
132	1	18	HIS	HE1	H	8.333	0.000	1
133	1	19	LEU	H	H	7.323	0.000	1
134	1	19	LEU	HA	H	4.483	0.002	1
135	1	19	LEU	HB2	H	1.711	0.003	2
136	1	19	LEU	HB3	H	1.391	0.002	2
137	1	19	LEU	HG	H	2.188	0.002	1
138	1	19	LEU	HD11	H	0.681	0.000	2
139	1	19	LEU	HD12	H	0.681	0.000	2
140	1	19	LEU	HD13	H	0.681	0.000	2
141	1	19	LEU	HD21	H	0.876	0.000	2
142	1	19	LEU	HD22	H	0.876	0.000	2
143	1	19	LEU	HD23	H	0.876	0.000	2
144	1	20	PRO	HA	H	4.412	0.001	1
145	1	20	PRO	HB2	H	2.334	0.000	2
146	1	20	PRO	HB3	H	1.998	0.000	2
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	4.040	0.000	2
150	1	20	PRO	HD3	H	3.813	0.000	2
151	1	21	ASN	H	H	8.913	0.000	1
152	1	21	ASN	HA	H	5.021	0.000	1
153	1	21	ASN	HB2	H	2.911	0.000	1
154	1	21	ASN	HB3	H	2.911	0.000	1
155	1	21	ASN	HD21	H	7.004	0.000	2
156	1	21	ASN	HD22	H	7.410	0.000	2
157	1	22	LEU	H	H	6.538	0.000	1
158	1	22	LEU	HA	H	4.441	0.001	1
159	1	22	LEU	HB2	H	1.693	0.000	2
160	1	22	LEU	HB3	H	1.638	0.000	2
161	1	22	LEU	HG	H	1.702	0.002	1
162	1	22	LEU	HD11	H	0.882	0.000	2
163	1	22	LEU	HD12	H	0.882	0.000	2
164	1	22	LEU	HD13	H	0.882	0.000	2
165	1	22	LEU	HD21	H	0.968	0.001	2
166	1	22	LEU	HD22	H	0.968	0.001	2
167	1	22	LEU	HD23	H	0.968	0.001	2
168	1	23	ASN	H	H	8.602	0.000	1
169	1	23	ASN	HA	H	4.933	0.000	1
170	1	23	ASN	HB2	H	3.215	0.001	2
171	1	23	ASN	HB3	H	2.849	0.002	2
172	1	23	ASN	HD21	H	6.875	0.000	2
173	1	23	ASN	HD22	H	7.422	0.000	2
174	1	24	GLU	H	H	8.617	0.001	1
175	1	24	GLU	HA	H	3.911	0.002	1
176	1	24	GLU	HB2	H	2.065	0.000	2
177	1	24	GLU	HB3	H	2.029	0.000	2
178	1	24	GLU	HG2	H	2.400	0.000	1
179	1	24	GLU	HG3	H	2.400	0.000	1
180	1	25	AIB	H	H	8.182	0.000	1
181	1	25	AIB	HB11	H	1.449	0.000	2
182	1	25	AIB	HB12	H	1.449	0.000	2
183	1	25	AIB	HB13	H	1.449	0.000	2
184	1	25	AIB	HB21	H	1.477	0.000	2
185	1	25	AIB	HB22	H	1.477	0.000	2
186	1	25	AIB	HB23	H	1.477	0.000	2
187	1	26	GLN	H	H	8.388	0.000	1
188	1	26	GLN	HA	H	3.965	0.001	1
189	1	26	GLN	HB2	H	2.352	0.000	2
190	1	26	GLN	HB3	H	1.829	0.000	2
191	1	26	GLN	HG2	H	2.499	0.002	1
192	1	26	GLN	HG3	H	2.499	0.002	1
193	1	26	GLN	HE21	H	7.560	0.000	2
194	1	26	GLN	HE22	H	8.236	0.000	2
195	1	27	ARG	H	H	8.388	0.000	1
196	1	27	ARG	HA	H	3.728	0.002	1
197	1	27	ARG	HB2	H	1.891	0.000	2
198	1	27	ARG	HB3	H	1.806	0.000	2
199	1	27	ARG	HG2	H	1.709	0.000	2
200	1	27	ARG	HG3	H	1.508	0.000	2
201	1	27	ARG	HD2	H	3.381	0.000	2
202	1	27	ARG	HD3	H	3.178	0.000	2
203	1	28	AIB	H	H	8.220	0.000	1
204	1	28	AIB	HB11	H	1.674	0.000	1
205	1	28	AIB	HB12	H	1.674	0.000	1
206	1	28	AIB	HB13	H	1.674	0.000	1
207	1	29	ALA	H	H	8.047	0.000	1
208	1	29	ALA	HA	H	4.226	0.002	1
209	1	29	ALA	HB1	H	1.458	0.000	1
210	1	29	ALA	HB2	H	1.458	0.000	1
211	1	29	ALA	HB3	H	1.458	0.000	1
212	1	30	PHE	H	H	8.050	0.000	1
213	1	30	PHE	HA	H	4.335	0.002	1
214	1	30	PHE	HB2	H	3.065	0.000	2
215	1	30	PHE	HB3	H	2.970	0.000	2
216	1	30	PHE	HD1	H	7.292	0.000	1
217	1	30	PHE	HD2	H	7.292	0.000	1
218	1	30	PHE	HE1	H	7.120	0.001	1
219	1	30	PHE	HE2	H	7.120	0.001	1
220	1	30	PHE	HZ	H	7.293	0.000	1
221	1	31	ILE	H	H	7.896	0.000	1
222	1	31	ILE	HA	H	3.688	0.002	1
223	1	31	ILE	HB	H	2.194	0.001	1
224	1	31	ILE	HG12	H	1.516	0.000	2
225	1	31	ILE	HG13	H	1.390	0.001	2
226	1	31	ILE	HG21	H	0.881	0.000	1
227	1	31	ILE	HG22	H	0.881	0.000	1
228	1	31	ILE	HG23	H	0.881	0.000	1
229	1	31	ILE	HD11	H	0.767	0.000	1
230	1	31	ILE	HD12	H	0.767	0.000	1
231	1	31	ILE	HD13	H	0.767	0.000	1
232	1	32	AIB	H	H	8.046	0.000	1
233	1	32	AIB	HB11	H	1.459	0.000	2
234	1	32	AIB	HB12	H	1.459	0.000	2
235	1	32	AIB	HB13	H	1.459	0.000	2
236	1	32	AIB	HB21	H	1.570	0.000	2
237	1	32	AIB	HB22	H	1.570	0.000	2
238	1	32	AIB	HB23	H	1.570	0.000	2
239	1	33	SER	H	H	7.707	0.001	1
240	1	33	SER	HA	H	4.181	0.002	1
241	1	33	SER	HB2	H	4.052	0.000	2
242	1	33	SER	HB3	H	3.925	0.001	2
243	1	34	LEU	H	H	8.029	0.000	1
244	1	34	LEU	HA	H	3.714	0.002	1
245	1	34	LEU	HB2	H	1.726	0.002	2
246	1	34	LEU	HB3	H	1.519	0.000	2
247	1	34	LEU	HG	H	1.621	0.003	1
248	1	34	LEU	HD11	H	0.768	0.002	1
249	1	34	LEU	HD12	H	0.768	0.002	1
250	1	34	LEU	HD13	H	0.768	0.002	1
251	1	34	LEU	HD21	H	0.768	0.002	1
252	1	34	LEU	HD22	H	0.768	0.002	1
253	1	34	LEU	HD23	H	0.768	0.002	1
254	1	35	AIB	H	H	8.111	0.001	1
255	1	35	AIB	HB11	H	1.430	0.000	2
256	1	35	AIB	HB12	H	1.430	0.000	2
257	1	35	AIB	HB13	H	1.430	0.000	2
258	1	35	AIB	HB21	H	1.464	0.000	2
259	1	35	AIB	HB22	H	1.464	0.000	2
260	1	35	AIB	HB23	H	1.464	0.000	2
261	1	36	ASP	H	H	7.504	0.000	1
262	1	36	ASP	HA	H	4.518	0.002	1
263	1	36	ASP	HB2	H	2.861	0.000	2
264	1	36	ASP	HB3	H	2.813	0.000	2
265	1	37	ASP	H	H	7.554	0.000	1
266	1	37	ASP	HA	H	4.956	0.003	1
267	1	37	ASP	HB2	H	2.999	0.003	2
268	1	37	ASP	HB3	H	2.667	0.002	2
269	1	38	PRO	HA	H	4.458	0.000	1
270	1	38	PRO	HB2	H	2.225	0.000	2
271	1	38	PRO	HB3	H	2.058	0.000	2
272	1	38	PRO	HG2	H	2.160	0.002	1
273	1	38	PRO	HG3	H	2.160	0.002	1
274	1	38	PRO	HD2	H	3.918	0.001	2
275	1	38	PRO	HD3	H	3.766	0.001	2
276	1	39	SER	H	H	8.237	0.000	1
277	1	39	SER	HA	H	4.415	0.000	1
278	1	39	SER	HB2	H	4.090	0.001	2
279	1	39	SER	HB3	H	4.027	0.000	2
280	1	40	GLN	H	H	7.913	0.000	1
281	1	40	GLN	HA	H	4.669	0.001	1
282	1	40	GLN	HB2	H	2.671	0.001	2
283	1	40	GLN	HB3	H	2.001	0.000	2
284	1	40	GLN	HG2	H	2.483	0.000	2
285	1	40	GLN	HG3	H	2.344	0.000	2
286	1	40	GLN	HE21	H	6.864	0.000	2
287	1	40	GLN	HE22	H	7.591	0.000	2
288	1	41	SER	H	H	7.772	0.001	1
289	1	41	SER	HA	H	3.781	0.001	1
290	1	41	SER	HB2	H	3.962	0.003	2
291	1	41	SER	HB3	H	3.833	0.001	2
292	1	42	ALA	H	H	8.479	0.000	1
293	1	42	ALA	HA	H	4.142	0.000	1
294	1	42	ALA	HB1	H	1.452	0.000	1
295	1	42	ALA	HB2	H	1.452	0.000	1
296	1	42	ALA	HB3	H	1.452	0.000	1
297	1	43	ASN	H	H	7.973	0.000	1
298	1	43	ASN	HA	H	4.550	0.002	1
299	1	43	ASN	HB2	H	2.912	0.001	1
300	1	43	ASN	HB3	H	2.912	0.001	1
301	1	43	ASN	HD21	H	7.002	0.000	2
302	1	43	ASN	HD22	H	7.785	0.000	2
303	1	44	LEU	H	H	8.581	0.000	1
304	1	44	LEU	HA	H	4.198	0.003	1
305	1	44	LEU	HB2	H	1.841	0.000	2
306	1	44	LEU	HB3	H	1.330	0.000	2
307	1	44	LEU	HG	H	1.879	0.003	1
308	1	44	LEU	HD11	H	0.841	0.001	2
309	1	44	LEU	HD12	H	0.841	0.001	2
310	1	44	LEU	HD13	H	0.841	0.001	2
311	1	44	LEU	HD21	H	1.098	0.000	2
312	1	44	LEU	HD22	H	1.098	0.000	2
313	1	44	LEU	HD23	H	1.098	0.000	2
314	1	45	LEU	H	H	8.483	0.000	1
315	1	45	LEU	HA	H	3.833	0.001	1
316	1	45	LEU	HB2	H	1.864	0.000	2
317	1	45	LEU	HB3	H	1.528	0.000	2
318	1	45	LEU	HG	H	1.572	0.003	1
319	1	45	LEU	HD11	H	0.902	0.000	1
320	1	45	LEU	HD12	H	0.902	0.000	1
321	1	45	LEU	HD13	H	0.902	0.000	1
322	1	45	LEU	HD21	H	0.902	0.000	1
323	1	45	LEU	HD22	H	0.902	0.000	1
324	1	45	LEU	HD23	H	0.902	0.000	1
325	1	46	ALA	H	H	7.708	0.000	1
326	1	46	ALA	HA	H	4.066	0.001	1
327	1	46	ALA	HB1	H	1.571	0.000	1
328	1	46	ALA	HB2	H	1.571	0.000	1
329	1	46	ALA	HB3	H	1.571	0.000	1
330	1	47	GLU	H	H	8.048	0.000	1
331	1	47	GLU	HA	H	4.075	0.001	1
332	1	47	GLU	HB2	H	2.356	0.000	2
333	1	47	GLU	HB3	H	2.280	0.000	2
334	1	47	GLU	HG2	H	2.602	0.000	2
335	1	47	GLU	HG3	H	2.541	0.000	2
336	1	48	ALA	H	H	8.476	0.000	1
337	1	48	ALA	HA	H	3.510	0.001	1
338	1	48	ALA	HB1	H	0.517	0.000	1
339	1	48	ALA	HB2	H	0.517	0.000	1
340	1	48	ALA	HB3	H	0.517	0.000	1
341	1	49	LYS	H	H	8.542	0.000	1
342	1	49	LYS	HA	H	3.782	0.000	1
343	1	49	LYS	HB2	H	1.963	0.000	2
344	1	49	LYS	HB3	H	1.810	0.002	2
345	1	49	LYS	HG2	H	1.362	0.002	1
346	1	49	LYS	HG3	H	1.362	0.002	1
347	1	49	LYS	HD2	H	1.626	0.001	1
348	1	49	LYS	HD3	H	1.626	0.001	1
349	1	49	LYS	HE2	H	2.968	0.000	2
350	1	49	LYS	HE3	H	2.879	0.001	2
351	1	50	LYS	H	H	7.721	0.000	1
352	1	50	LYS	HA	H	4.134	0.000	1
353	1	50	LYS	HB2	H	1.978	0.002	1
354	1	50	LYS	HB3	H	1.978	0.002	1
355	1	50	LYS	HG2	H	1.453	0.000	1
356	1	50	LYS	HG3	H	1.453	0.000	1
357	1	50	LYS	HD2	H	1.748	0.001	1
358	1	50	LYS	HD3	H	1.748	0.001	1
359	1	50	LYS	HE2	H	2.997	0.000	1
360	1	50	LYS	HE3	H	2.997	0.000	1
361	1	51	LEU	H	H	7.941	0.000	1
362	1	51	LEU	HA	H	4.166	0.000	1
363	1	51	LEU	HB2	H	1.723	0.000	1
364	1	51	LEU	HB3	H	1.723	0.000	1
365	1	51	LEU	HG	H	1.616	0.001	1
366	1	51	LEU	HD11	H	1.016	0.000	1
367	1	51	LEU	HD12	H	1.016	0.000	1
368	1	51	LEU	HD13	H	1.016	0.000	1
369	1	51	LEU	HD21	H	1.016	0.000	1
370	1	51	LEU	HD22	H	1.016	0.000	1
371	1	51	LEU	HD23	H	1.016	0.000	1
372	1	52	ASN	H	H	8.584	0.000	1
373	1	52	ASN	HA	H	3.962	0.001	1
374	1	52	ASN	HB2	H	3.135	0.000	2
375	1	52	ASN	HB3	H	2.407	0.000	2
376	1	52	ASN	HD21	H	6.872	0.000	2
377	1	52	ASN	HD22	H	7.929	0.000	2
378	1	53	ASP	H	H	8.304	0.000	1
379	1	53	ASP	HA	H	4.478	0.002	1
380	1	53	ASP	HB2	H	2.788	0.000	2
381	1	53	ASP	HB3	H	2.744	0.000	2
382	1	54	ALA	H	H	8.041	0.000	1
383	1	54	ALA	HA	H	4.275	0.001	1
384	1	54	ALA	HB1	H	1.617	0.000	1
385	1	54	ALA	HB2	H	1.617	0.000	1
386	1	54	ALA	HB3	H	1.617	0.000	1
387	1	55	GLN	H	H	7.566	0.001	1
388	1	55	GLN	HA	H	4.404	0.001	1
389	1	55	GLN	HB2	H	2.343	0.000	2
390	1	55	GLN	HB3	H	1.831	0.000	2
391	1	55	GLN	HG2	H	2.655	0.001	2
392	1	55	GLN	HG3	H	2.502	0.000	2
393	1	55	GLN	HE21	H	7.289	0.000	2
394	1	55	GLN	HE22	H	8.710	0.000	2
395	1	56	ALA	H	H	7.157	0.000	1
396	1	56	ALA	HA	H	4.369	0.000	1
397	1	56	ALA	HB1	H	1.465	0.000	1
398	1	56	ALA	HB2	H	1.465	0.000	1
399	1	56	ALA	HB3	H	1.465	0.000	1
400	1	57	PRO	HA	H	4.458	0.001	1
401	1	57	PRO	HB2	H	2.349	0.000	2
402	1	57	PRO	HB3	H	1.956	0.003	2
403	1	57	PRO	HG2	H	2.118	0.000	1
404	1	57	PRO	HG3	H	2.118	0.000	1
405	1	57	PRO	HD2	H	3.826	0.000	2
406	1	57	PRO	HD3	H	3.656	0.001	2
407	1	58	LYS	H	H	8.489	0.000	1
408	1	58	LYS	HA	H	4.335	0.000	1
409	1	58	LYS	HB2	H	1.903	0.000	2
410	1	58	LYS	HB3	H	1.793	0.000	2
411	1	58	LYS	HG2	H	1.553	0.000	2
412	1	58	LYS	HG3	H	1.496	0.000	2
413	1	58	LYS	HD2	H	1.726	0.000	1
414	1	58	LYS	HD3	H	1.726	0.000	1
415	1	58	LYS	HE2	H	3.072	0.002	1
416	1	58	LYS	HE3	H	3.072	0.002	1
417	1	59	NH2	HN1	H	7.108	0.000	2
418	1	59	NH2	HN2	H	7.589	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: 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 3 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib25, Aib27, Aib32, Aib35	natural abundance		0.64 mM
2	dss	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib25, Aib27, Aib32, Aib35	natural abundance		0.64 mM
2	dss	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	B Domain of Staphylococcal protein A: Aib25, Aib27, Aib32, Aib35	natural abundance		0.64 mM
2	dss	natural abundance		0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30982_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	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	28	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	32	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	35	AIB	ALPHA-AMINOISOBUTYRIC ACID	Assigned chemical shifts
1	59	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30982_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	418		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: 418
- 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	364	352	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	255	244	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	33	97.1

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: 30982

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 3 experiments Detail

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Chemical shift validation 3 contents Detail