BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.093	0.000	1
2	1	1	ALA	HB1	H	1.525	0.000	1
3	1	1	ALA	HB2	H	1.525	0.000	1
4	1	1	ALA	HB3	H	1.525	0.000	1
5	1	2	ASP	H	H	8.789	0.000	1
6	1	2	ASP	HA	H	4.639	0.000	1
7	1	2	ASP	HB2	H	2.709	0.000	2
8	1	2	ASP	HB3	H	2.593	0.000	2
9	1	3	ASN	H	H	8.599	0.000	1
10	1	3	ASN	HA	H	4.633	0.000	1
11	1	3	ASN	HB2	H	2.686	0.000	1
12	1	3	ASN	HB3	H	2.686	0.000	1
13	1	3	ASN	HD21	H	6.973	0.000	2
14	1	3	ASN	HD22	H	7.662	0.000	2
15	1	4	LYS	H	H	8.436	0.002	1
16	1	4	LYS	HA	H	4.189	0.002	1
17	1	4	LYS	HB2	H	1.712	0.000	2
18	1	4	LYS	HB3	H	1.686	0.000	2
19	1	4	LYS	HG2	H	1.277	0.005	1
20	1	4	LYS	HG3	H	1.277	0.005	1
21	1	4	LYS	HD2	H	1.646	0.000	1
22	1	4	LYS	HD3	H	1.646	0.000	1
23	1	4	LYS	HE2	H	2.951	0.002	1
24	1	4	LYS	HE3	H	2.951	0.002	1
25	1	4	LYS	HZ1	H	7.597	0.000	1
26	1	4	LYS	HZ2	H	7.597	0.000	1
27	1	4	LYS	HZ3	H	7.597	0.000	1
28	1	5	PHE	H	H	8.327	0.001	1
29	1	5	PHE	HA	H	4.899	0.000	1
30	1	5	PHE	HB2	H	3.314	0.001	2
31	1	5	PHE	HB3	H	3.025	0.000	2
32	1	5	PHE	HD1	H	7.182	0.000	1
33	1	5	PHE	HD2	H	7.182	0.000	1
34	1	5	PHE	HE1	H	7.146	0.000	1
35	1	5	PHE	HE2	H	7.146	0.000	1
36	1	6	ASN	H	H	8.404	0.000	1
37	1	6	ASN	HA	H	4.694	0.001	1
38	1	6	ASN	HB2	H	3.164	0.000	2
39	1	6	ASN	HB3	H	2.923	0.000	2
40	1	6	ASN	HD21	H	7.011	0.000	2
41	1	6	ASN	HD22	H	7.656	0.000	2
42	1	7	LYS	H	H	8.483	0.000	1
43	1	7	LYS	HA	H	4.004	0.001	1
44	1	7	LYS	HB2	H	1.880	0.000	2
45	1	7	LYS	HB3	H	1.834	0.000	2
46	1	7	LYS	HG2	H	1.524	0.000	2
47	1	7	LYS	HG3	H	1.436	0.000	2
48	1	7	LYS	HD2	H	1.720	0.000	1
49	1	7	LYS	HD3	H	1.720	0.000	1
50	1	7	LYS	HE2	H	3.016	0.000	1
51	1	7	LYS	HE3	H	3.016	0.000	1
52	1	7	LYS	HZ1	H	7.620	0.000	1
53	1	7	LYS	HZ2	H	7.620	0.000	1
54	1	7	LYS	HZ3	H	7.620	0.000	1
55	1	8	GLU	H	H	8.410	0.000	1
56	1	8	GLU	HA	H	4.125	0.001	1
57	1	8	GLU	HB2	H	2.150	0.000	2
58	1	8	GLU	HB3	H	2.075	0.000	2
59	1	8	GLU	HG2	H	2.379	0.000	1
60	1	8	GLU	HG3	H	2.379	0.000	1
61	1	9	GLN	H	H	8.559	0.000	1
62	1	9	GLN	HA	H	3.969	0.001	1
63	1	9	GLN	HB2	H	2.394	0.000	2
64	1	9	GLN	HB3	H	2.112	0.000	2
65	1	9	GLN	HG2	H	2.483	0.000	1
66	1	9	GLN	HG3	H	2.483	0.000	1
67	1	9	GLN	HE21	H	7.113	0.000	2
68	1	9	GLN	HE22	H	7.523	0.000	2
69	1	10	GLN	H	H	8.563	0.000	1
70	1	10	GLN	HA	H	4.057	0.002	1
71	1	10	GLN	HB2	H	2.202	0.001	1
72	1	10	GLN	HB3	H	2.202	0.001	1
73	1	10	GLN	HG2	H	2.458	0.001	1
74	1	10	GLN	HG3	H	2.458	0.001	1
75	1	10	GLN	HE21	H	6.957	0.000	2
76	1	10	GLN	HE22	H	7.415	0.000	2
77	1	11	ASN	H	H	8.393	0.000	1
78	1	11	ASN	HA	H	4.638	0.001	1
79	1	11	ASN	HB2	H	2.910	0.000	1
80	1	11	ASN	HB3	H	2.910	0.000	1
81	1	11	ASN	HD21	H	7.141	0.000	2
82	1	11	ASN	HD22	H	7.864	0.000	2
83	1	12	ALA	H	H	8.102	0.000	1
84	1	12	ALA	HA	H	4.104	0.000	1
85	1	12	ALA	HB1	H	1.501	0.000	1
86	1	12	ALA	HB2	H	1.501	0.000	1
87	1	12	ALA	HB3	H	1.501	0.000	1
88	1	13	PHE	H	H	8.346	0.000	1
89	1	13	PHE	HA	H	3.910	0.001	1
90	1	13	PHE	HB2	H	3.326	0.001	2
91	1	13	PHE	HB3	H	3.095	0.003	2
92	1	13	PHE	HD1	H	7.072	0.000	1
93	1	13	PHE	HD2	H	7.072	0.000	1
94	1	13	PHE	HE1	H	7.363	0.000	1
95	1	13	PHE	HE2	H	7.363	0.000	1
96	1	14	TYR	H	H	8.208	0.000	1
97	1	14	TYR	HA	H	3.830	0.002	1
98	1	14	TYR	HB2	H	3.204	0.000	1
99	1	14	TYR	HB3	H	3.204	0.000	1
100	1	14	TYR	HD1	H	7.142	0.000	1
101	1	14	TYR	HD2	H	7.142	0.000	1
102	1	14	TYR	HE1	H	6.744	0.000	1
103	1	14	TYR	HE2	H	6.744	0.000	1
104	1	15	GLU	H	H	8.509	0.000	1
105	1	15	GLU	HA	H	4.015	0.000	1
106	1	15	GLU	HB2	H	2.143	0.000	2
107	1	15	GLU	HB3	H	2.003	0.000	2
108	1	15	GLU	HG2	H	2.529	0.000	2
109	1	15	GLU	HG3	H	2.246	0.000	2
110	1	16	ILE	H	H	8.619	0.000	1
111	1	16	ILE	HA	H	3.388	0.003	1
112	1	16	ILE	HB	H	1.745	0.002	1
113	1	16	ILE	HG12	H	1.921	0.001	1
114	1	16	ILE	HG13	H	1.921	0.001	1
115	1	16	ILE	HG21	H	0.716	0.002	1
116	1	16	ILE	HG22	H	0.716	0.002	1
117	1	16	ILE	HG23	H	0.716	0.002	1
118	1	16	ILE	HD11	H	0.574	0.000	1
119	1	16	ILE	HD12	H	0.574	0.000	1
120	1	16	ILE	HD13	H	0.574	0.000	1
121	1	17	LEU	H	H	8.157	0.000	1
122	1	17	LEU	HA	H	3.665	0.002	1
123	1	17	LEU	HB2	H	1.326	0.003	2
124	1	17	LEU	HB3	H	1.081	0.000	2
125	1	17	LEU	HG	H	1.120	0.003	1
126	1	17	LEU	HD11	H	0.509	0.001	2
127	1	17	LEU	HD12	H	0.509	0.001	2
128	1	17	LEU	HD13	H	0.509	0.001	2
129	1	17	LEU	HD21	H	0.627	0.002	2
130	1	17	LEU	HD22	H	0.627	0.002	2
131	1	17	LEU	HD23	H	0.627	0.002	2
132	1	18	HIS	H	H	7.115	0.000	1
133	1	18	HIS	HA	H	4.470	0.001	1
134	1	18	HIS	HB2	H	3.450	0.001	2
135	1	18	HIS	HB3	H	2.784	0.000	2
136	1	18	HIS	HD2	H	7.006	0.000	1
137	1	18	HIS	HE1	H	8.297	0.000	1
138	1	19	LEU	H	H	7.163	0.000	1
139	1	19	LEU	HA	H	4.508	0.002	1
140	1	19	LEU	HB2	H	1.655	0.000	2
141	1	19	LEU	HB3	H	1.381	0.000	2
142	1	19	LEU	HG	H	2.177	0.002	1
143	1	19	LEU	HD11	H	0.666	0.000	2
144	1	19	LEU	HD12	H	0.666	0.000	2
145	1	19	LEU	HD13	H	0.666	0.000	2
146	1	19	LEU	HD21	H	0.859	0.001	2
147	1	19	LEU	HD22	H	0.859	0.001	2
148	1	19	LEU	HD23	H	0.859	0.001	2
149	1	20	PRO	HA	H	4.431	0.000	1
150	1	20	PRO	HB2	H	2.322	0.000	2
151	1	20	PRO	HB3	H	1.965	0.000	2
152	1	20	PRO	HG2	H	2.176	0.000	1
153	1	20	PRO	HG3	H	2.176	0.000	1
154	1	20	PRO	HD2	H	4.077	0.002	2
155	1	20	PRO	HD3	H	3.815	0.002	2
156	1	21	ASN	H	H	8.976	0.001	1
157	1	21	ASN	HA	H	4.992	0.000	1
158	1	21	ASN	HB2	H	2.905	0.000	1
159	1	21	ASN	HB3	H	2.905	0.000	1
160	1	21	ASN	HD21	H	7.024	0.000	2
161	1	21	ASN	HD22	H	7.716	0.000	2
162	1	22	LEU	H	H	6.517	0.000	1
163	1	22	LEU	HA	H	4.381	0.000	1
164	1	22	LEU	HB2	H	1.643	0.000	2
165	1	22	LEU	HB3	H	1.571	0.001	2
166	1	22	LEU	HG	H	1.647	0.002	1
167	1	22	LEU	HD11	H	0.835	0.000	2
168	1	22	LEU	HD12	H	0.835	0.000	2
169	1	22	LEU	HD13	H	0.835	0.000	2
170	1	22	LEU	HD21	H	0.901	0.000	2
171	1	22	LEU	HD22	H	0.901	0.000	2
172	1	22	LEU	HD23	H	0.901	0.000	2
173	1	23	ASN	H	H	8.570	0.002	1
174	1	23	ASN	HA	H	4.928	0.002	1
175	1	23	ASN	HB2	H	3.151	0.000	2
176	1	23	ASN	HB3	H	2.799	0.000	2
177	1	23	ASN	HD21	H	7.060	0.000	2
178	1	23	ASN	HD22	H	7.801	0.000	2
179	1	24	GLU	H	H	8.612	0.000	1
180	1	24	GLU	HA	H	4.050	0.001	1
181	1	24	GLU	HB2	H	2.132	0.000	2
182	1	24	GLU	HB3	H	1.935	0.000	2
183	1	24	GLU	HG2	H	2.443	0.000	1
184	1	24	GLU	HG3	H	2.443	0.000	1
185	1	25	XCP	HA	H	2.718	0.000	1
186	1	25	XCP	HB	H	4.358	0.001	1
187	1	25	XCP	HD	H	1.726	0.000	2
188	1	25	XCP	HDA	H	1.758	0.000	2
189	1	25	XCP	HE	H	1.906	0.000	1
190	1	25	XCP	HG	H	1.610	0.000	2
191	1	25	XCP	HGA	H	2.061	0.000	2
192	1	25	XCP	HN	H	8.037	0.001	1
193	1	26	GLN	H	H	8.274	0.000	1
194	1	26	GLN	HA	H	3.893	0.001	1
195	1	26	GLN	HB2	H	2.557	0.000	2
196	1	26	GLN	HB3	H	2.384	0.000	2
197	1	26	GLN	HG2	H	2.700	0.000	1
198	1	26	GLN	HG3	H	2.700	0.000	1
199	1	26	GLN	HE21	H	7.774	0.000	2
200	1	26	GLN	HE22	H	8.420	0.000	2
201	1	27	ARG	H	H	8.695	0.000	1
202	1	27	ARG	HA	H	3.738	0.003	1
203	1	27	ARG	HB2	H	1.843	0.000	2
204	1	27	ARG	HB3	H	1.753	0.000	2
205	1	27	ARG	HG2	H	1.744	0.001	2
206	1	27	ARG	HG3	H	1.355	0.007	2
207	1	27	ARG	HD2	H	3.467	0.003	2
208	1	27	ARG	HD3	H	3.176	0.004	2
209	1	28	B3X	H	H	7.573	0.002	1
210	1	28	B3X	HA1	H	2.301	0.000	2
211	1	28	B3X	HA2	H	2.442	0.001	2
212	1	28	B3X	HB	H	4.588	0.001	1
213	1	28	B3X	HE21	H	6.737	0.000	2
214	1	28	B3X	HE22	H	7.604	0.001	2
215	1	28	B3X	HG2	H	2.446	0.000	2
216	1	28	B3X	HG3	H	2.769	0.000	2
217	1	29	ALA	H	H	8.054	0.000	1
218	1	29	ALA	HA	H	3.939	0.000	1
219	1	29	ALA	HB1	H	1.320	0.000	1
220	1	29	ALA	HB2	H	1.320	0.000	1
221	1	29	ALA	HB3	H	1.320	0.000	1
222	1	30	PHE	H	H	8.400	0.000	1
223	1	30	PHE	HA	H	4.419	0.002	1
224	1	30	PHE	HB2	H	3.351	0.000	2
225	1	30	PHE	HB3	H	2.949	0.000	2
226	1	30	PHE	HD1	H	7.303	0.000	1
227	1	30	PHE	HD2	H	7.303	0.000	1
228	1	30	PHE	HE1	H	7.098	0.000	1
229	1	30	PHE	HE2	H	7.098	0.000	1
230	1	30	PHE	HZ	H	7.316	0.000	1
231	1	31	ILE	H	H	8.474	0.000	1
232	1	31	ILE	HA	H	3.805	0.001	1
233	1	31	ILE	HB	H	2.000	0.001	1
234	1	31	ILE	HG12	H	1.676	0.000	2
235	1	31	ILE	HG13	H	1.208	0.000	2
236	1	31	ILE	HG21	H	1.038	0.001	1
237	1	31	ILE	HG22	H	1.038	0.001	1
238	1	31	ILE	HG23	H	1.038	0.001	1
239	1	31	ILE	HD11	H	0.694	0.002	1
240	1	31	ILE	HD12	H	0.694	0.002	1
241	1	31	ILE	HD13	H	0.694	0.002	1
242	1	32	XCP	HA	H	2.708	0.000	1
243	1	32	XCP	HB	H	4.389	0.000	1
244	1	32	XCP	HD	H	1.720	0.000	1
245	1	32	XCP	HE	H	1.887	0.000	1
246	1	32	XCP	HG	H	1.843	0.000	2
247	1	32	XCP	HGA	H	2.005	0.000	2
248	1	32	XCP	HN	H	8.130	0.002	1
249	1	33	SER	H	H	8.095	0.001	1
250	1	33	SER	HA	H	4.156	0.003	1
251	1	33	SER	HB2	H	4.006	0.003	1
252	1	33	SER	HB3	H	4.006	0.003	1
253	1	34	LEU	H	H	8.355	0.000	1
254	1	34	LEU	HA	H	3.872	0.000	1
255	1	34	LEU	HB2	H	1.953	0.000	2
256	1	34	LEU	HB3	H	1.786	0.000	2
257	1	34	LEU	HG	H	1.784	0.000	1
258	1	34	LEU	HD11	H	0.912	0.001	1
259	1	34	LEU	HD12	H	0.912	0.001	1
260	1	34	LEU	HD13	H	0.912	0.001	1
261	1	34	LEU	HD21	H	0.912	0.001	1
262	1	34	LEU	HD22	H	0.912	0.001	1
263	1	34	LEU	HD23	H	0.912	0.001	1
264	1	35	B3K	H	H	7.300	0.001	1
265	1	35	B3K	HA1	H	2.389	0.001	2
266	1	35	B3K	HA2	H	2.524	0.000	2
267	1	35	B3K	HB	H	4.131	0.002	1
268	1	35	B3K	HD2	H	1.334	0.004	2
269	1	35	B3K	HD3	H	1.390	0.034	2
270	1	35	B3K	HE2	H	1.492	0.001	1
271	1	35	B3K	HF1	H	2.604	0.002	2
272	1	35	B3K	HF2	H	2.633	0.002	2
273	1	35	B3K	HG2	H	1.635	0.002	1
274	1	36	ASP	H	H	8.516	0.000	1
275	1	36	ASP	HA	H	4.318	0.002	1
276	1	36	ASP	HB2	H	2.811	0.000	2
277	1	36	ASP	HB3	H	2.709	0.000	2
278	1	37	ASP	H	H	8.301	0.002	1
279	1	37	ASP	HA	H	5.037	0.002	1
280	1	37	ASP	HB2	H	3.002	0.001	2
281	1	37	ASP	HB3	H	2.615	0.001	2
282	1	38	PRO	HA	H	4.518	0.001	1
283	1	38	PRO	HB2	H	2.353	0.000	2
284	1	38	PRO	HB3	H	1.992	0.000	2
285	1	38	PRO	HG2	H	2.218	0.000	2
286	1	38	PRO	HG3	H	2.107	0.000	2
287	1	38	PRO	HD2	H	3.896	0.000	2
288	1	38	PRO	HD3	H	3.726	0.000	2
289	1	39	SER	H	H	8.264	0.000	1
290	1	39	SER	HA	H	4.285	0.000	1
291	1	39	SER	HB2	H	4.036	0.000	2
292	1	39	SER	HB3	H	3.947	0.000	2
293	1	40	GLN	H	H	7.813	0.001	1
294	1	40	GLN	HA	H	4.636	0.000	1
295	1	40	GLN	HB2	H	2.652	0.000	2
296	1	40	GLN	HB3	H	2.018	0.000	2
297	1	40	GLN	HG2	H	2.478	0.000	2
298	1	40	GLN	HG3	H	2.332	0.000	2
299	1	40	GLN	HE21	H	7.001	0.000	2
300	1	40	GLN	HE22	H	7.628	0.000	2
301	1	41	SER	H	H	7.766	0.000	1
302	1	41	SER	HA	H	3.810	0.000	1
303	1	41	SER	HB2	H	3.950	0.000	1
304	1	41	SER	HB3	H	3.950	0.000	1
305	1	42	ALA	H	H	8.609	0.000	1
306	1	42	ALA	HA	H	4.147	0.001	1
307	1	42	ALA	HB1	H	1.438	0.000	1
308	1	42	ALA	HB2	H	1.438	0.000	1
309	1	42	ALA	HB3	H	1.438	0.000	1
310	1	43	ASN	H	H	8.132	0.000	1
311	1	43	ASN	HA	H	4.550	0.000	1
312	1	43	ASN	HB2	H	2.904	0.000	1
313	1	43	ASN	HB3	H	2.904	0.000	1
314	1	43	ASN	HD21	H	7.056	0.000	2
315	1	43	ASN	HD22	H	7.863	0.000	2
316	1	44	LEU	H	H	8.611	0.000	1
317	1	44	LEU	HA	H	4.227	0.000	1
318	1	44	LEU	HB2	H	1.856	0.000	2
319	1	44	LEU	HB3	H	1.381	0.000	2
320	1	44	LEU	HG	H	1.872	0.000	1
321	1	44	LEU	HD11	H	0.850	0.002	2
322	1	44	LEU	HD12	H	0.850	0.002	2
323	1	44	LEU	HD13	H	0.850	0.002	2
324	1	44	LEU	HD21	H	1.094	0.001	2
325	1	44	LEU	HD22	H	1.094	0.001	2
326	1	44	LEU	HD23	H	1.094	0.001	2
327	1	45	LEU	H	H	8.517	0.000	1
328	1	45	LEU	HA	H	3.875	0.002	1
329	1	45	LEU	HB2	H	1.997	0.001	2
330	1	45	LEU	HB3	H	1.473	0.001	2
331	1	45	LEU	HG	H	1.553	0.003	1
332	1	45	LEU	HD11	H	0.911	0.003	2
333	1	45	LEU	HD12	H	0.911	0.003	2
334	1	45	LEU	HD13	H	0.911	0.003	2
335	1	45	LEU	HD21	H	0.930	0.001	2
336	1	45	LEU	HD22	H	0.930	0.001	2
337	1	45	LEU	HD23	H	0.930	0.001	2
338	1	46	ALA	H	H	7.694	0.000	1
339	1	46	ALA	HA	H	4.066	0.001	1
340	1	46	ALA	HB1	H	1.556	0.000	1
341	1	46	ALA	HB2	H	1.556	0.000	1
342	1	46	ALA	HB3	H	1.556	0.000	1
343	1	47	GLU	H	H	8.160	0.000	1
344	1	47	GLU	HA	H	4.078	0.002	1
345	1	47	GLU	HB2	H	2.381	0.000	2
346	1	47	GLU	HB3	H	2.308	0.000	2
347	1	47	GLU	HG2	H	2.612	0.000	2
348	1	47	GLU	HG3	H	2.518	0.000	2
349	1	48	ALA	H	H	8.692	0.000	1
350	1	48	ALA	HA	H	3.554	0.003	1
351	1	48	ALA	HB1	H	0.556	0.000	1
352	1	48	ALA	HB2	H	0.556	0.000	1
353	1	48	ALA	HB3	H	0.556	0.000	1
354	1	49	LYS	H	H	8.589	0.000	1
355	1	49	LYS	HA	H	3.780	0.000	1
356	1	49	LYS	HB2	H	1.973	0.000	2
357	1	49	LYS	HB3	H	1.768	0.000	2
358	1	49	LYS	HG2	H	1.344	0.003	1
359	1	49	LYS	HG3	H	1.344	0.003	1
360	1	49	LYS	HD2	H	1.694	0.000	2
361	1	49	LYS	HD3	H	1.612	0.000	2
362	1	49	LYS	HE2	H	2.955	0.000	2
363	1	49	LYS	HE3	H	2.842	0.003	2
364	1	50	LYS	H	H	7.695	0.003	1
365	1	50	LYS	HA	H	4.133	0.001	1
366	1	50	LYS	HB2	H	1.965	0.001	1
367	1	50	LYS	HB3	H	1.965	0.001	1
368	1	50	LYS	HG2	H	1.625	0.000	2
369	1	50	LYS	HG3	H	1.442	0.008	2
370	1	50	LYS	HD2	H	1.726	0.000	1
371	1	50	LYS	HD3	H	1.726	0.000	1
372	1	50	LYS	HE2	H	2.982	0.004	1
373	1	50	LYS	HE3	H	2.982	0.004	1
374	1	51	LEU	H	H	7.964	0.000	1
375	1	51	LEU	HA	H	4.175	0.000	1
376	1	51	LEU	HB2	H	1.719	0.000	2
377	1	51	LEU	HB3	H	1.667	0.000	2
378	1	51	LEU	HG	H	1.602	0.000	1
379	1	51	LEU	HD11	H	0.995	0.000	1
380	1	51	LEU	HD12	H	0.995	0.000	1
381	1	51	LEU	HD13	H	0.995	0.000	1
382	1	51	LEU	HD21	H	0.995	0.000	1
383	1	51	LEU	HD22	H	0.995	0.000	1
384	1	51	LEU	HD23	H	0.995	0.000	1
385	1	52	ASN	H	H	8.645	0.000	1
386	1	52	ASN	HA	H	3.950	0.001	1
387	1	52	ASN	HB2	H	3.111	0.000	2
388	1	52	ASN	HB3	H	2.382	0.000	2
389	1	52	ASN	HD21	H	6.973	0.000	2
390	1	52	ASN	HD22	H	8.010	0.000	2
391	1	53	ASP	H	H	8.299	0.000	1
392	1	53	ASP	HA	H	4.481	0.000	1
393	1	53	ASP	HB2	H	2.780	0.004	2
394	1	53	ASP	HB3	H	2.726	0.000	2
395	1	54	ALA	H	H	8.067	0.000	1
396	1	54	ALA	HA	H	4.260	0.000	1
397	1	54	ALA	HB1	H	1.605	0.000	1
398	1	54	ALA	HB2	H	1.605	0.000	1
399	1	54	ALA	HB3	H	1.605	0.000	1
400	1	55	GLN	H	H	7.600	0.000	1
401	1	55	GLN	HA	H	4.395	0.002	1
402	1	55	GLN	HB2	H	2.017	0.000	2
403	1	55	GLN	HB3	H	1.791	0.000	2
404	1	55	GLN	HG2	H	2.646	0.001	2
405	1	55	GLN	HG3	H	2.503	0.000	2
406	1	55	GLN	HE21	H	7.361	0.000	2
407	1	55	GLN	HE22	H	8.804	0.000	2
408	1	56	ALA	H	H	7.149	0.000	1
409	1	56	ALA	HA	H	4.348	0.003	1
410	1	56	ALA	HB1	H	1.450	0.000	1
411	1	56	ALA	HB2	H	1.450	0.000	1
412	1	56	ALA	HB3	H	1.450	0.000	1
413	1	57	PRO	HA	H	4.438	0.000	1
414	1	57	PRO	HB2	H	2.333	0.001	2
415	1	57	PRO	HB3	H	1.933	0.002	2
416	1	57	PRO	HG2	H	2.096	0.003	1
417	1	57	PRO	HG3	H	2.096	0.003	1
418	1	57	PRO	HD2	H	3.803	0.001	2
419	1	57	PRO	HD3	H	3.638	0.002	2
420	1	58	LYS	H	H	8.662	0.000	1
421	1	58	LYS	HA	H	4.299	0.001	1
422	1	58	LYS	HB2	H	1.881	0.000	2
423	1	58	LYS	HB3	H	1.790	0.000	2
424	1	58	LYS	HG2	H	1.535	0.000	1
425	1	58	LYS	HG3	H	1.535	0.000	1
426	1	58	LYS	HD2	H	1.704	0.000	1
427	1	58	LYS	HD3	H	1.704	0.000	1
428	1	58	LYS	HE2	H	3.043	0.001	1
429	1	58	LYS	HE3	H	3.043	0.001	1
430	1	58	LYS	HZ1	H	7.589	0.000	1
431	1	58	LYS	HZ2	H	7.589	0.000	1
432	1	58	LYS	HZ3	H	7.589	0.000	1
433	1	59	NH2	HN1	H	7.208	0.000	2
434	1	59	NH2	HN2	H	7.705	0.000	2

Release date

2022-04-27

Citation

Effects of Altered Backbone Composition on Protein Folded States, Unfolded States, and Folding Energetics: Integration of Simulation and Experiment
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.

Related entities 1. Staphylococcal protein A, : 2 : 109 : 76 entities Detail

Interaction partners 1. Staphylococcal 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	entity_1	natural abundance		1.4 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		1.4 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		1.4 mM
2	DSS	natural abundance		0.2 mM

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		1.4 mM
2	DSS	natural abundance		0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31012_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	XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	Assigned chemical shifts
1	28	B3X	(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID	Assigned chemical shifts
1	32	XCP	(1S,2S)-2-aminocyclopentanecarboxylic 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: bmr31012_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	434		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: 434
- 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	XCP
28	B3X
32	XCP
35	B3K

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
4	LYS	HZ1	7.597
4	LYS	HZ2	7.597
4	LYS	HZ3	7.597
7	LYS	HZ1	7.62
7	LYS	HZ2	7.62
7	LYS	HZ3	7.62
58	LYS	HZ1	7.589
58	LYS	HZ2	7.589
58	LYS	HZ3	7.589

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	344	340	98.8

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	236	98.7

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	19	90.5

Keywords DE NOVO PROTEIN, synthetic protein

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Found 1 Document (0.414 seconds)

BMRB: 31012

Related entities 1. Staphylococcal protein A, : 2 : 109 : 76 entities Detail

Interaction partners 1. Staphylococcal protein A, : 1 interactors Detail

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail