BMRBj - BMREntryMaster

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	12	SER	HA	H	4.430	0.04	1
2	1	12	SER	HB2	H	3.871	0.04	2
3	1	12	SER	HB3	H	3.871	0.04	2
4	1	12	SER	C	C	174.927	0.40	1
5	1	12	SER	CA	C	58.692	0.40	1
6	1	12	SER	CB	C	63.893	0.40	1
7	1	13	GLY	H	H	8.434	0.04	1
8	1	13	GLY	HA2	H	3.978	0.04	2
9	1	13	GLY	HA3	H	3.898	0.04	2
10	1	13	GLY	C	C	173.782	0.40	1
11	1	13	GLY	CA	C	45.310	0.40	1
12	1	13	GLY	N	N	110.600	0.40	1
13	1	14	LEU	H	H	8.093	0.04	1
14	1	14	LEU	HA	H	4.331	0.04	1
15	1	14	LEU	HB2	H	1.510	0.04	2
16	1	14	LEU	HB3	H	1.510	0.04	2
17	1	14	LEU	C	C	176.948	0.40	1
18	1	14	LEU	CA	C	54.957	0.40	1
19	1	14	LEU	CB	C	42.434	0.40	1
20	1	14	LEU	N	N	121.349	0.40	1
21	1	15	VAL	H	H	8.150	0.04	1
22	1	15	VAL	N	N	122.176	0.40	1
23	1	16	PRO	HA	H	4.359	0.04	1
24	1	16	PRO	HB2	H	2.195	0.04	2
25	1	16	PRO	HB3	H	1.837	0.04	2
26	1	16	PRO	C	C	176.803	0.40	1
27	1	16	PRO	CA	C	62.987	0.40	1
28	1	16	PRO	CB	C	32.131	0.40	1
29	1	17	ARG	H	H	8.587	0.04	1
30	1	17	ARG	HA	H	4.249	0.04	1
31	1	17	ARG	HB2	H	1.802	0.04	2
32	1	17	ARG	HB3	H	1.802	0.04	2
33	1	17	ARG	C	C	176.999	0.40	1
34	1	17	ARG	CA	C	56.479	0.40	1
35	1	17	ARG	CB	C	30.812	0.40	1
36	1	17	ARG	N	N	122.119	0.40	1
37	1	18	GLY	H	H	8.563	0.04	1
38	1	18	GLY	HA2	H	3.948	0.04	2
39	1	18	GLY	HA3	H	3.948	0.04	2
40	1	18	GLY	C	C	174.019	0.40	1
41	1	18	GLY	CA	C	45.278	0.40	1
42	1	18	GLY	N	N	110.376	0.40	1
43	1	19	SER	H	H	8.215	0.04	1
44	1	19	SER	HA	H	4.460	0.04	1
45	1	19	SER	HB2	H	3.818	0.04	2
46	1	19	SER	HB3	H	3.818	0.04	2
47	1	19	SER	C	C	174.637	0.40	1
48	1	19	SER	CA	C	58.402	0.40	1
49	1	19	SER	CB	C	63.974	0.40	1
50	1	19	SER	N	N	115.297	0.40	1
51	1	20	HIS	H	H	8.535	0.04	1
52	1	20	HIS	N	N	118.003	0.40	1
53	1	23	LEU	HA	H	4.073	0.04	1
54	1	23	LEU	HB2	H	1.749	0.04	2
55	1	23	LEU	HB3	H	1.575	0.04	2
56	1	23	LEU	HD11	H	0.938	0.04	2
57	1	23	LEU	HD12	H	0.938	0.04	2
58	1	23	LEU	HD13	H	0.938	0.04	2
59	1	23	LEU	HD21	H	0.881	0.04	2
60	1	23	LEU	HD22	H	0.881	0.04	2
61	1	23	LEU	HD23	H	0.881	0.04	2
62	1	23	LEU	C	C	178.480	0.40	1
63	1	23	LEU	CA	C	57.734	0.40	1
64	1	23	LEU	CB	C	41.632	0.40	1
65	1	23	LEU	CD1	C	25.553	0.40	2
66	1	23	LEU	CD2	C	24.766	0.40	2
67	1	24	GLU	H	H	8.197	0.04	1
68	1	24	GLU	HA	H	4.091	0.04	1
69	1	24	GLU	HB2	H	2.167	0.04	2
70	1	24	GLU	HB3	H	2.068	0.04	2
71	1	24	GLU	HG2	H	2.355	0.04	2
72	1	24	GLU	HG3	H	2.329	0.04	2
73	1	24	GLU	C	C	179.581	0.40	1
74	1	24	GLU	CA	C	59.649	0.40	1
75	1	24	GLU	CB	C	29.045	0.40	1
76	1	24	GLU	CG	C	36.636	0.40	1
77	1	24	GLU	N	N	119.303	0.40	1
78	1	25	GLU	H	H	8.180	0.04	1
79	1	25	GLU	HA	H	4.022	0.04	1
80	1	25	GLU	HB2	H	2.166	0.04	2
81	1	25	GLU	HB3	H	2.048	0.04	2
82	1	25	GLU	HG2	H	2.458	0.04	2
83	1	25	GLU	HG3	H	2.223	0.04	2
84	1	25	GLU	C	C	178.672	0.40	1
85	1	25	GLU	CA	C	59.117	0.40	1
86	1	25	GLU	CB	C	29.731	0.40	1
87	1	25	GLU	CG	C	36.602	0.40	1
88	1	25	GLU	N	N	120.784	0.40	1
89	1	26	LEU	H	H	7.962	0.04	1
90	1	26	LEU	HA	H	4.095	0.04	1
91	1	26	LEU	C	C	177.896	0.40	1
92	1	26	LEU	CA	C	57.680	0.40	1
93	1	26	LEU	N	N	120.717	0.40	1
94	1	27	GLU	H	H	8.472	0.04	1
95	1	27	GLU	HA	H	3.687	0.04	1
96	1	27	GLU	HB2	H	2.106	0.04	2
97	1	27	GLU	HB3	H	2.245	0.04	2
98	1	27	GLU	HG2	H	2.232	0.04	2
99	1	27	GLU	HG3	H	2.203	0.04	2
100	1	27	GLU	C	C	178.346	0.40	1
101	1	27	GLU	CA	C	60.388	0.40	1
102	1	27	GLU	CB	C	29.529	0.40	1
103	1	27	GLU	CG	C	36.579	0.40	1
104	1	27	GLU	N	N	118.862	0.40	1
105	1	28	GLU	H	H	7.767	0.04	1
106	1	28	GLU	HA	H	4.123	0.04	1
107	1	28	GLU	HB2	H	2.125	0.04	2
108	1	28	GLU	HB3	H	2.125	0.04	2
109	1	28	GLU	HG2	H	2.417	0.04	2
110	1	28	GLU	HG3	H	2.355	0.04	2
111	1	28	GLU	C	C	178.600	0.40	1
112	1	28	GLU	CA	C	59.030	0.40	1
113	1	28	GLU	CB	C	29.319	0.40	1
114	1	28	GLU	CG	C	35.267	0.40	1
115	1	28	GLU	N	N	118.102	0.40	1
116	1	29	ASP	H	H	8.490	0.04	1
117	1	29	ASP	HA	H	4.432	0.04	1
118	1	29	ASP	HB2	H	2.903	0.04	2
119	1	29	ASP	HB3	H	2.691	0.04	2
120	1	29	ASP	C	C	179.727	0.40	1
121	1	29	ASP	CA	C	57.519	0.40	1
122	1	29	ASP	CB	C	40.907	0.40	1
123	1	29	ASP	N	N	121.692	0.40	1
124	1	30	LEU	H	H	8.674	0.04	1
125	1	30	LEU	HA	H	3.974	0.04	1
126	1	30	LEU	HB2	H	2.016	0.04	2
127	1	30	LEU	HB3	H	1.294	0.04	2
128	1	30	LEU	HG	H	1.925	0.04	1
129	1	30	LEU	HD11	H	0.821	0.04	2
130	1	30	LEU	HD12	H	0.821	0.04	2
131	1	30	LEU	HD13	H	0.821	0.04	2
132	1	30	LEU	HD21	H	0.773	0.04	2
133	1	30	LEU	HD22	H	0.773	0.04	2
134	1	30	LEU	HD23	H	0.773	0.04	2
135	1	30	LEU	C	C	178.207	0.40	1
136	1	30	LEU	CA	C	57.842	0.40	1
137	1	30	LEU	CB	C	41.697	0.40	1
138	1	30	LEU	CG	C	26.477	0.40	1
139	1	30	LEU	CD1	C	25.773	0.40	2
140	1	30	LEU	CD2	C	23.449	0.40	2
141	1	30	LEU	N	N	119.651	0.40	1
142	1	31	LYS	H	H	8.075	0.04	1
143	1	31	LYS	HA	H	3.844	0.04	1
144	1	31	LYS	HB2	H	1.948	0.04	2
145	1	31	LYS	HB3	H	1.835	0.04	2
146	1	31	LYS	C	C	179.625	0.40	1
147	1	31	LYS	CA	C	60.175	0.40	1
148	1	31	LYS	CB	C	32.234	0.40	1
149	1	31	LYS	N	N	117.712	0.40	1
150	1	32	GLN	H	H	8.308	0.04	1
151	1	32	GLN	HA	H	3.937	0.04	1
152	1	32	GLN	HB2	H	2.108	0.04	2
153	1	32	GLN	HB3	H	2.170	0.04	2
154	1	32	GLN	HG2	H	2.423	0.04	2
155	1	32	GLN	HG3	H	2.405	0.04	2
156	1	32	GLN	C	C	177.669	0.40	1
157	1	32	GLN	CA	C	58.583	0.40	1
158	1	32	GLN	CB	C	27.595	0.40	1
159	1	32	GLN	CG	C	32.831	0.40	1
160	1	32	GLN	N	N	118.573	0.40	1
161	1	33	ALA	H	H	8.058	0.04	1
162	1	33	ALA	HA	H	3.903	0.04	1
163	1	33	ALA	HB1	H	1.347	0.04	1
164	1	33	ALA	HB2	H	1.347	0.04	1
165	1	33	ALA	HB3	H	1.347	0.04	1
166	1	33	ALA	C	C	180.051	0.40	1
167	1	33	ALA	CA	C	55.473	0.40	1
168	1	33	ALA	CB	C	18.112	0.40	1
169	1	33	ALA	N	N	121.625	0.40	1
170	1	34	LEU	H	H	8.098	0.04	1
171	1	34	LEU	HA	H	4.150	0.04	1
172	1	34	LEU	HB2	H	1.873	0.04	2
173	1	34	LEU	HB3	H	1.416	0.04	2
174	1	34	LEU	HG	H	1.827	0.04	1
175	1	34	LEU	HD11	H	0.660	0.04	2
176	1	34	LEU	HD12	H	0.660	0.04	2
177	1	34	LEU	HD13	H	0.660	0.04	2
178	1	34	LEU	HD21	H	0.711	0.04	2
179	1	34	LEU	HD22	H	0.711	0.04	2
180	1	34	LEU	HD23	H	0.711	0.04	2
181	1	34	LEU	C	C	181.780	0.40	1
182	1	34	LEU	CA	C	57.468	0.40	1
183	1	34	LEU	CB	C	40.922	0.40	1
184	1	34	LEU	CG	C	26.850	0.40	1
185	1	34	LEU	CD1	C	25.243	0.40	2
186	1	34	LEU	CD2	C	22.508	0.40	2
187	1	34	LEU	N	N	116.965	0.40	1
188	1	35	ARG	H	H	8.016	0.04	1
189	1	35	ARG	HA	H	4.136	0.04	1
190	1	35	ARG	HB2	H	2.012	0.04	2
191	1	35	ARG	HB3	H	2.012	0.04	2
192	1	35	ARG	HG2	H	1.843	0.04	2
193	1	35	ARG	HG3	H	1.718	0.04	2
194	1	35	ARG	HD2	H	3.247	0.04	2
195	1	35	ARG	HD3	H	3.170	0.04	2
196	1	35	ARG	C	C	178.377	0.40	1
197	1	35	ARG	CA	C	58.970	0.40	1
198	1	35	ARG	CB	C	30.008	0.40	1
199	1	35	ARG	CG	C	27.727	0.40	1
200	1	35	ARG	CD	C	43.332	0.40	1
201	1	35	ARG	N	N	121.075	0.40	1
202	1	36	GLU	H	H	7.676	0.04	1
203	1	36	GLU	HA	H	4.322	0.04	1
204	1	36	GLU	HB2	H	2.093	0.04	2
205	1	36	GLU	HB3	H	2.249	0.04	2
206	1	36	GLU	HG2	H	2.581	0.04	2
207	1	36	GLU	HG3	H	2.339	0.04	2
208	1	36	GLU	C	C	176.648	0.40	1
209	1	36	GLU	CA	C	56.037	0.40	1
210	1	36	GLU	CB	C	30.163	0.40	1
211	1	36	GLU	CG	C	36.241	0.40	1
212	1	36	GLU	N	N	116.769	0.40	1
213	1	37	GLY	H	H	7.912	0.04	1
214	1	37	GLY	HA2	H	4.091	0.04	2
215	1	37	GLY	HA3	H	3.895	0.04	2
216	1	37	GLY	C	C	174.575	0.40	1
217	1	37	GLY	CA	C	45.955	0.40	1
218	1	37	GLY	N	N	108.725	0.40	1
219	1	38	ARG	H	H	8.155	0.04	1
220	1	38	ARG	HA	H	4.450	0.04	1
221	1	38	ARG	HB2	H	1.820	0.04	2
222	1	38	ARG	HB3	H	1.647	0.04	2
223	1	38	ARG	HG2	H	1.585	0.04	2
224	1	38	ARG	HG3	H	1.585	0.04	2
225	1	38	ARG	HD2	H	3.219	0.04	2
226	1	38	ARG	HD3	H	3.219	0.04	2
227	1	38	ARG	C	C	174.938	0.40	1
228	1	38	ARG	CA	C	55.078	0.40	1
229	1	38	ARG	CB	C	31.940	0.40	1
230	1	38	ARG	CG	C	28.457	0.40	1
231	1	38	ARG	CD	C	43.488	0.40	1
232	1	38	ARG	N	N	120.002	0.40	1
233	1	39	LYS	H	H	8.230	0.04	1
234	1	39	LYS	HA	H	4.544	0.04	1
235	1	39	LYS	HB2	H	1.653	0.04	2
236	1	39	LYS	HB3	H	1.619	0.04	2
237	1	39	LYS	HG2	H	1.391	0.04	2
238	1	39	LYS	HG3	H	1.297	0.04	2
239	1	39	LYS	HD2	H	1.594	0.04	2
240	1	39	LYS	HD3	H	1.553	0.04	2
241	1	39	LYS	HE2	H	2.929	0.04	2
242	1	39	LYS	HE3	H	2.929	0.04	2
243	1	39	LYS	C	C	176.261	0.40	1
244	1	39	LYS	CA	C	55.332	0.40	1
245	1	39	LYS	CB	C	33.534	0.40	1
246	1	39	LYS	CG	C	24.488	0.40	1
247	1	39	LYS	CD	C	29.120	0.40	1
248	1	39	LYS	CE	C	41.796	0.40	1
249	1	39	LYS	N	N	120.516	0.40	1
250	1	40	VAL	H	H	8.352	0.04	1
251	1	40	VAL	HA	H	4.286	0.04	1
252	1	40	VAL	HB	H	1.861	0.04	1
253	1	40	VAL	HG11	H	0.772	0.04	2
254	1	40	VAL	HG12	H	0.772	0.04	2
255	1	40	VAL	HG13	H	0.772	0.04	2
256	1	40	VAL	C	C	173.656	0.40	1
257	1	40	VAL	CA	C	61.297	0.40	1
258	1	40	VAL	CB	C	34.471	0.40	1
259	1	40	VAL	CG1	C	21.127	0.40	2
260	1	40	VAL	N	N	122.637	0.40	1
261	1	41	ASN	H	H	8.550	0.04	1
262	1	41	ASN	HA	H	5.375	0.04	1
263	1	41	ASN	HB2	H	2.612	0.04	2
264	1	41	ASN	HB3	H	2.405	0.04	2
265	1	41	ASN	C	C	174.179	0.40	1
266	1	41	ASN	CA	C	52.355	0.40	1
267	1	41	ASN	CB	C	40.211	0.40	1
268	1	41	ASN	N	N	126.095	0.40	1
269	1	42	ILE	H	H	8.870	0.04	1
270	1	42	ILE	HA	H	4.396	0.04	1
271	1	42	ILE	HB	H	1.677	0.04	1
272	1	42	ILE	HG12	H	1.356	0.04	2
273	1	42	ILE	HG13	H	1.074	0.04	2
274	1	42	ILE	HG21	H	0.726	0.04	1
275	1	42	ILE	HG22	H	0.726	0.04	1
276	1	42	ILE	HG23	H	0.726	0.04	1
277	1	42	ILE	HD11	H	0.762	0.04	1
278	1	42	ILE	HD12	H	0.762	0.04	1
279	1	42	ILE	HD13	H	0.762	0.04	1
280	1	42	ILE	C	C	173.476	0.40	1
281	1	42	ILE	CA	C	58.603	0.40	1
282	1	42	ILE	CB	C	39.624	0.40	1
283	1	42	ILE	CG1	C	27.188	0.40	1
284	1	42	ILE	CG2	C	16.811	0.40	1
285	1	42	ILE	CD1	C	13.455	0.40	1
286	1	42	ILE	N	N	125.219	0.40	1
287	1	43	LEU	H	H	9.033	0.04	1
288	1	43	LEU	HA	H	3.716	0.04	1
289	1	43	LEU	HB2	H	1.800	0.04	2
290	1	43	LEU	HB3	H	1.711	0.04	2
291	1	43	LEU	HG	H	1.612	0.04	1
292	1	43	LEU	HD11	H	0.785	0.04	2
293	1	43	LEU	HD12	H	0.785	0.04	2
294	1	43	LEU	HD13	H	0.785	0.04	2
295	1	43	LEU	HD21	H	0.798	0.04	2
296	1	43	LEU	HD22	H	0.798	0.04	2
297	1	43	LEU	HD23	H	0.798	0.04	2
298	1	43	LEU	C	C	173.834	0.40	1
299	1	43	LEU	CA	C	55.546	0.40	1
300	1	43	LEU	CB	C	39.391	0.40	1
301	1	43	LEU	CG	C	26.875	0.40	1
302	1	43	LEU	CD1	C	26.324	0.40	2
303	1	43	LEU	CD2	C	23.238	0.40	2
304	1	43	LEU	N	N	121.953	0.40	1
305	1	44	GLY	H	H	7.858	0.04	1
306	1	44	GLY	HA2	H	4.136	0.04	2
307	1	44	GLY	HA3	H	3.581	0.04	2
308	1	44	GLY	C	C	174.613	0.40	1
309	1	44	GLY	CA	C	45.195	0.40	1
310	1	44	GLY	N	N	122.126	0.40	1
311	1	45	ILE	H	H	8.199	0.04	1
312	1	45	ILE	HA	H	4.292	0.04	1
313	1	45	ILE	HB	H	1.987	0.04	1
314	1	45	ILE	HG12	H	1.348	0.04	2
315	1	45	ILE	HG13	H	1.033	0.04	2
316	1	45	ILE	HG21	H	0.756	0.04	1
317	1	45	ILE	HG22	H	0.756	0.04	1
318	1	45	ILE	HG23	H	0.756	0.04	1
319	1	45	ILE	HD11	H	0.440	0.04	1
320	1	45	ILE	HD12	H	0.440	0.04	1
321	1	45	ILE	HD13	H	0.440	0.04	1
322	1	45	ILE	C	C	174.950	0.40	1
323	1	45	ILE	CA	C	59.590	0.40	1
324	1	45	ILE	CB	C	39.653	0.40	1
325	1	45	ILE	CG1	C	26.880	0.40	1
326	1	45	ILE	CG2	C	18.619	0.40	1
327	1	45	ILE	CD1	C	13.986	0.40	1
328	1	45	ILE	N	N	120.857	0.40	1
329	1	46	GLU	H	H	8.428	0.04	1
330	1	46	GLU	HA	H	4.763	0.04	1
331	1	46	GLU	HB2	H	1.854	0.04	2
332	1	46	GLU	HB3	H	1.854	0.04	2
333	1	46	GLU	HG2	H	2.130	0.04	2
334	1	46	GLU	HG3	H	1.965	0.04	2
335	1	46	GLU	C	C	175.276	0.40	1
336	1	46	GLU	CA	C	55.238	0.40	1
337	1	46	GLU	CB	C	30.814	0.40	1
338	1	46	GLU	CG	C	36.794	0.40	1
339	1	46	GLU	N	N	124.597	0.40	1
340	1	47	VAL	H	H	8.897	0.04	1
341	1	47	VAL	HA	H	4.219	0.04	1
342	1	47	VAL	HB	H	2.001	0.04	1
343	1	47	VAL	HG11	H	0.966	0.04	2
344	1	47	VAL	HG12	H	0.966	0.04	2
345	1	47	VAL	HG13	H	0.966	0.04	2
346	1	47	VAL	HG21	H	0.770	0.04	2
347	1	47	VAL	HG22	H	0.770	0.04	2
348	1	47	VAL	HG23	H	0.770	0.04	2
349	1	47	VAL	C	C	175.853	0.40	1
350	1	47	VAL	CA	C	62.128	0.40	1
351	1	47	VAL	CB	C	32.229	0.40	1
352	1	47	VAL	CG1	C	21.887	0.40	2
353	1	47	VAL	CG2	C	21.263	0.40	2
354	1	47	VAL	N	N	127.472	0.40	1
355	1	48	THR	H	H	9.427	0.04	1
356	1	48	THR	HA	H	4.625	0.04	1
357	1	48	THR	HB	H	4.344	0.04	1
358	1	48	THR	HG21	H	1.171	0.04	1
359	1	48	THR	HG22	H	1.171	0.04	1
360	1	48	THR	HG23	H	1.171	0.04	1
361	1	48	THR	C	C	175.171	0.40	1
362	1	48	THR	CA	C	61.773	0.40	1
363	1	48	THR	CB	C	70.842	0.40	1
364	1	48	THR	CG2	C	21.950	0.40	1
365	1	48	THR	N	N	115.515	0.40	1
366	1	49	THR	H	H	7.820	0.04	1
367	1	49	THR	HA	H	4.932	0.04	1
368	1	49	THR	HB	H	4.704	0.04	1
369	1	49	THR	HG21	H	1.230	0.04	1
370	1	49	THR	HG22	H	1.230	0.04	1
371	1	49	THR	HG23	H	1.230	0.04	1
372	1	49	THR	C	C	174.492	0.40	1
373	1	49	THR	CA	C	59.062	0.40	1
374	1	49	THR	CB	C	72.845	0.40	1
375	1	49	THR	CG2	C	21.351	0.40	1
376	1	49	THR	N	N	111.480	0.40	1
377	1	50	GLU	H	H	9.212	0.04	1
378	1	50	GLU	HA	H	3.877	0.04	1
379	1	50	GLU	HB2	H	2.097	0.04	2
380	1	50	GLU	HB3	H	2.082	0.04	2
381	1	50	GLU	HG2	H	2.385	0.04	2
382	1	50	GLU	HG3	H	2.255	0.04	2
383	1	50	GLU	C	C	178.513	0.40	1
384	1	50	GLU	CA	C	59.546	0.40	1
385	1	50	GLU	CB	C	29.334	0.40	1
386	1	50	GLU	CG	C	37.096	0.40	1
387	1	50	GLU	N	N	122.117	0.40	1
388	1	51	GLU	H	H	8.553	0.04	1
389	1	51	GLU	HA	H	4.098	0.04	1
390	1	51	GLU	HB2	H	2.153	0.04	2
391	1	51	GLU	HB3	H	2.076	0.04	2
392	1	51	GLU	HG2	H	2.352	0.04	2
393	1	51	GLU	HG3	H	2.352	0.04	2
394	1	51	GLU	C	C	178.834	0.40	1
395	1	51	GLU	CA	C	59.732	0.40	1
396	1	51	GLU	CB	C	28.815	0.40	1
397	1	51	GLU	CG	C	35.548	0.40	1
398	1	51	GLU	N	N	120.294	0.40	1
399	1	52	GLN	H	H	7.865	0.04	1
400	1	52	GLN	HA	H	4.015	0.04	1
401	1	52	GLN	HB2	H	2.063	0.04	2
402	1	52	GLN	HB3	H	2.684	0.04	2
403	1	52	GLN	HG2	H	2.539	0.04	2
404	1	52	GLN	HG3	H	2.327	0.04	2
405	1	52	GLN	C	C	178.510	0.40	1
406	1	52	GLN	CA	C	58.792	0.40	1
407	1	52	GLN	CB	C	29.754	0.40	1
408	1	52	GLN	CG	C	33.935	0.40	1
409	1	52	GLN	N	N	119.461	0.40	1
410	1	53	ALA	H	H	7.931	0.04	1
411	1	53	ALA	HA	H	3.881	0.04	1
412	1	53	ALA	HB1	H	1.464	0.04	1
413	1	53	ALA	HB2	H	1.464	0.04	1
414	1	53	ALA	HB3	H	1.464	0.04	1
415	1	53	ALA	C	C	178.566	0.40	1
416	1	53	ALA	CA	C	55.335	0.40	1
417	1	53	ALA	CB	C	18.314	0.40	1
418	1	53	ALA	N	N	120.512	0.40	1
419	1	54	ARG	H	H	8.447	0.04	1
420	1	54	ARG	HA	H	3.973	0.04	1
421	1	54	ARG	HB2	H	1.979	0.04	2
422	1	54	ARG	HB3	H	1.967	0.04	2
423	1	54	ARG	HG2	H	1.794	0.04	2
424	1	54	ARG	HG3	H	1.615	0.04	2
425	1	54	ARG	HD2	H	3.234	0.04	2
426	1	54	ARG	HD3	H	3.234	0.04	2
427	1	54	ARG	C	C	179.055	0.40	1
428	1	54	ARG	CA	C	59.432	0.40	1
429	1	54	ARG	CB	C	29.877	0.40	1
430	1	54	ARG	CG	C	27.287	0.40	1
431	1	54	ARG	CD	C	43.050	0.40	1
432	1	54	ARG	N	N	116.965	0.40	1
433	1	55	ARG	H	H	8.097	0.04	1
434	1	55	ARG	HA	H	4.168	0.04	1
435	1	55	ARG	HB2	H	2.100	0.04	2
436	1	55	ARG	HB3	H	2.224	0.04	2
437	1	55	ARG	HG2	H	1.785	0.04	2
438	1	55	ARG	HG3	H	2.011	0.04	2
439	1	55	ARG	HD2	H	3.237	0.04	2
440	1	55	ARG	HD3	H	3.237	0.04	2
441	1	55	ARG	C	C	179.756	0.40	1
442	1	55	ARG	CA	C	59.489	0.40	1
443	1	55	ARG	CB	C	31.017	0.40	1
444	1	55	ARG	CG	C	28.468	0.40	1
445	1	55	ARG	CD	C	43.564	0.40	1
446	1	55	ARG	N	N	118.914	0.40	1
447	1	56	LEU	H	H	8.404	0.04	1
448	1	56	LEU	HA	H	4.247	0.04	1
449	1	56	LEU	HB2	H	2.029	0.04	2
450	1	56	LEU	HB3	H	1.543	0.04	2
451	1	56	LEU	HG	H	1.427	0.04	1
452	1	56	LEU	HD11	H	0.669	0.04	2
453	1	56	LEU	HD12	H	0.669	0.04	2
454	1	56	LEU	HD13	H	0.669	0.04	2
455	1	56	LEU	HD21	H	0.639	0.04	2
456	1	56	LEU	HD22	H	0.639	0.04	2
457	1	56	LEU	HD23	H	0.639	0.04	2
458	1	56	LEU	C	C	177.264	0.40	1
459	1	56	LEU	CA	C	58.439	0.40	1
460	1	56	LEU	CB	C	41.608	0.40	1
461	1	56	LEU	CG	C	27.070	0.40	1
462	1	56	LEU	CD1	C	25.778	0.40	2
463	1	56	LEU	CD2	C	22.624	0.40	2
464	1	56	LEU	N	N	120.965	0.40	1
465	1	57	ILE	H	H	8.233	0.04	1
466	1	57	ILE	HA	H	3.683	0.04	1
467	1	57	ILE	HB	H	2.148	0.04	1
468	1	57	ILE	HG12	H	1.742	0.04	2
469	1	57	ILE	HG13	H	1.373	0.04	2
470	1	57	ILE	HG21	H	0.908	0.04	1
471	1	57	ILE	HG22	H	0.908	0.04	1
472	1	57	ILE	HG23	H	0.908	0.04	1
473	1	57	ILE	HD11	H	0.725	0.04	1
474	1	57	ILE	HD12	H	0.725	0.04	1
475	1	57	ILE	HD13	H	0.725	0.04	1
476	1	57	ILE	C	C	177.727	0.40	1
477	1	57	ILE	CA	C	62.748	0.40	1
478	1	57	ILE	CB	C	35.603	0.40	1
479	1	57	ILE	CG1	C	27.596	0.40	1
480	1	57	ILE	CG2	C	17.629	0.40	1
481	1	57	ILE	CD1	C	9.695	0.40	1
482	1	57	ILE	N	N	117.620	0.40	1
483	1	58	GLU	H	H	8.504	0.04	1
484	1	58	GLU	HA	H	3.954	0.04	1
485	1	58	GLU	HB2	H	2.135	0.04	2
486	1	58	GLU	HB3	H	2.046	0.04	2
487	1	58	GLU	HG2	H	2.408	0.04	2
488	1	58	GLU	HG3	H	2.319	0.04	2
489	1	58	GLU	C	C	178.541	0.40	1
490	1	58	GLU	CA	C	59.456	0.40	1
491	1	58	GLU	CB	C	29.361	0.40	1
492	1	58	GLU	CG	C	36.233	0.40	1
493	1	58	GLU	N	N	118.394	0.40	1
494	1	59	PHE	H	H	7.608	0.04	1
495	1	59	PHE	HA	H	3.991	0.04	1
496	1	59	PHE	HB2	H	2.823	0.04	2
497	1	59	PHE	HB3	H	2.786	0.04	2
498	1	59	PHE	C	C	178.041	0.40	1
499	1	59	PHE	CA	C	61.226	0.40	1
500	1	59	PHE	CB	C	39.567	0.40	1
501	1	59	PHE	N	N	118.547	0.40	1
502	1	60	LEU	H	H	8.051	0.04	1
503	1	60	LEU	HA	H	3.789	0.04	1
504	1	60	LEU	HB2	H	1.978	0.04	2
505	1	60	LEU	HB3	H	1.399	0.04	2
506	1	60	LEU	HG	H	2.043	0.04	1
507	1	60	LEU	HD11	H	0.795	0.04	2
508	1	60	LEU	HD12	H	0.795	0.04	2
509	1	60	LEU	HD13	H	0.795	0.04	2
510	1	60	LEU	HD21	H	0.669	0.04	2
511	1	60	LEU	HD22	H	0.669	0.04	2
512	1	60	LEU	HD23	H	0.669	0.04	2
513	1	60	LEU	C	C	179.020	0.40	1
514	1	60	LEU	CA	C	57.458	0.40	1
515	1	60	LEU	CB	C	41.485	0.40	1
516	1	60	LEU	CG	C	26.497	0.40	1
517	1	60	LEU	CD1	C	26.174	0.40	2
518	1	60	LEU	CD2	C	21.295	0.40	2
519	1	60	LEU	N	N	118.979	0.40	1
520	1	61	ARG	H	H	8.647	0.04	1
521	1	61	ARG	HA	H	3.851	0.04	1
522	1	61	ARG	HB2	H	1.905	0.04	2
523	1	61	ARG	HB3	H	1.816	0.04	2
524	1	61	ARG	HG2	H	1.811	0.04	2
525	1	61	ARG	HG3	H	1.605	0.04	2
526	1	61	ARG	HD2	H	3.251	0.04	2
527	1	61	ARG	HD3	H	3.251	0.04	2
528	1	61	ARG	C	C	177.918	0.40	1
529	1	61	ARG	CA	C	59.008	0.40	1
530	1	61	ARG	CB	C	30.211	0.40	1
531	1	61	ARG	CG	C	28.625	0.40	1
532	1	61	ARG	CD	C	43.592	0.40	1
533	1	61	ARG	N	N	117.590	0.40	1
534	1	62	ARG	H	H	7.319	0.04	1
535	1	62	ARG	HA	H	4.323	0.04	1
536	1	62	ARG	HB2	H	1.811	0.04	2
537	1	62	ARG	HB3	H	1.634	0.04	2
538	1	62	ARG	HG2	H	1.669	0.04	2
539	1	62	ARG	HG3	H	1.572	0.04	2
540	1	62	ARG	HD2	H	3.080	0.04	2
541	1	62	ARG	HD3	H	3.080	0.04	2
542	1	62	ARG	C	C	176.178	0.40	1
543	1	62	ARG	CA	C	55.514	0.40	1
544	1	62	ARG	CB	C	30.136	0.40	1
545	1	62	ARG	CG	C	26.771	0.40	1
546	1	62	ARG	CD	C	43.199	0.40	1
547	1	62	ARG	N	N	115.476	0.40	1
548	1	63	PHE	H	H	7.354	0.04	1
549	1	63	PHE	HA	H	3.901	0.04	1
550	1	63	PHE	HB2	H	2.896	0.04	2
551	1	63	PHE	HB3	H	2.790	0.04	2
552	1	63	PHE	C	C	174.386	0.40	1
553	1	63	PHE	CA	C	60.070	0.40	1
554	1	63	PHE	CB	C	39.545	0.40	1
555	1	63	PHE	N	N	122.192	0.40	1
556	1	64	ILE	H	H	7.049	0.04	1
557	1	64	ILE	HA	H	3.921	0.04	1
558	1	64	ILE	HB	H	1.711	0.04	1
559	1	64	ILE	HG12	H	1.350	0.04	2
560	1	64	ILE	HG13	H	1.073	0.04	2
561	1	64	ILE	HG21	H	0.823	0.04	1
562	1	64	ILE	HG22	H	0.823	0.04	1
563	1	64	ILE	HG23	H	0.823	0.04	1
564	1	64	ILE	HD11	H	0.810	0.04	1
565	1	64	ILE	HD12	H	0.810	0.04	1
566	1	64	ILE	HD13	H	0.810	0.04	1
567	1	64	ILE	CA	C	62.456	0.40	1
568	1	64	ILE	CB	C	39.701	0.40	1
569	1	64	ILE	CG1	C	27.058	0.40	1
570	1	64	ILE	CG2	C	17.636	0.40	1
571	1	64	ILE	CD1	C	13.455	0.40	1
572	1	64	ILE	N	N	127.950	0.40	1

Release date

2022-01-02

Citation

Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation
Kim, T.E., Tsuboyama, K., Houliston, S., Martell, C.M., Phoumyvong, C.M., Lemak, A., Haddox, H.K., Arrowsmith, C.H., Rocklin, G.J.
Proc. Natl. Acad. Sci. U. S. A. (2022), 119, e2122676119-e2122676119, PubMed 36191185 , DOI 10.1073/pnas.2122676119 , Abstract

Related entities 1. E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27), : 1 : 52 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 288 K, pH 7.5, Details 50 mM sodium phosphate, 150 mM sodium chloride, 200 mM [U-13C; U-15N] HEEH mini protein TK_rd5_0341, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

2 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

3 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

4 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

6 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

7 3D HCCH-TOCSY

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

8 3D 1H-13C NOESY

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

9 3D 1H-15N NOESY

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	HEEH mini protein TK_rd5_0341	[U-13C; U-15N]	200 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30974_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

None

Content subtype: bmr30974_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	572		79.7 (chain: 1, length: 64)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 64, Sequence coverage: 79.7%
- Total number of assignments
  - ¹H chemical shifts: 323
  - ¹³C chemical shifts: 201
  - ¹⁵N chemical shifts: 48
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- 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	396	269	67.9
¹³C chemical shifts	292	201	68.8
¹⁵N chemical shifts	73	48	65.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	132	101	76.5
¹³C chemical shifts	128	97	75.8
¹⁵N chemical shifts	63	48	76.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	264	168	63.6
¹³C chemical shifts	164	104	63.4
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	27	75.0
¹³C chemical shifts	36	27	75.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	0	0.0
¹³C chemical shifts	24	0	0.0

Keywords DE NOVO PROTEIN, mini protein

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Found 1 Document (0.494 seconds)

BMRB: 30974

Related entities 1. E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27), : 1 : 52 entities Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

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Chemical shift validation 3 contents Detail