BMRB: 34144

NMR structure of TIA-1 RRM1 domain

Authors

Jagtap, P.K.A.

Assembly

Nucleolysin TIA-1 isoform p40

Entity

1. Nucleolysin TIA-1 isoform p40 (polymer), 92 monomers, 10261.72 Da Detail

MEDEMPKTLY VGNLSRDVTE ALILQLFSQI GPCKNCKMIM DTAGNDPYCF VEFHEHRHAA AALAAMNGRK IMGKEVKVNW ATTPSSQKKD TS

Formula weight

10261.72 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 599, ¹³C: 383, ¹⁵N: 88 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	MET	HA	H	4.335	0.000
2	1	1	MET	HB2	H	2.021	0.002
3	1	1	MET	HB3	H	2.020	0.000
4	1	1	MET	C	C	177.099	0.000
5	1	1	MET	CA	C	56.268	0.012
6	1	1	MET	CB	C	32.451	0.001
7	1	1	MET	N	N	119.199	0.159
8	1	2	GLU	H	H	8.444	0.015
9	1	2	GLU	HA	H	4.139	0.000
10	1	2	GLU	HB2	H	1.976	0.033
11	1	2	GLU	HB3	H	1.983	0.000
12	1	2	GLU	HG2	H	2.223	0.001
13	1	2	GLU	HG3	H	2.291	0.000
14	1	2	GLU	C	C	177.025	0.000
15	1	2	GLU	CA	C	57.593	0.118
16	1	2	GLU	CB	C	29.899	0.049
17	1	2	GLU	CG	C	36.479	0.007
18	1	2	GLU	N	N	120.778	0.048
19	1	3	ASP	H	H	8.167	0.003
20	1	3	ASP	HA	H	4.473	0.002
21	1	3	ASP	HB2	H	2.628	0.000
22	1	3	ASP	HB3	H	2.628	0.000
23	1	3	ASP	C	C	176.434	0.000
24	1	3	ASP	CA	C	55.048	0.129
25	1	3	ASP	CB	C	41.096	0.013
26	1	3	ASP	CG	C	176.368	0.000
27	1	3	ASP	N	N	120.138	0.025
28	1	4	GLU	H	H	8.042	0.002
29	1	4	GLU	HA	H	4.161	0.003
30	1	4	GLU	HB2	H	2.021	0.003
31	1	4	GLU	HB3	H	1.837	0.005
32	1	4	GLU	HG2	H	2.156	0.004
33	1	4	GLU	HG3	H	2.156	0.004
34	1	4	GLU	CA	C	56.136	0.036
35	1	4	GLU	CB	C	30.209	0.088
36	1	4	GLU	CG	C	36.284	0.043
37	1	4	GLU	N	N	119.462	0.003
38	1	5	MET	H	H	7.940	0.007
39	1	5	MET	HA	H	4.263	0.000
40	1	5	MET	HB2	H	1.737	0.000
41	1	5	MET	HB3	H	1.737	0.000
42	1	5	MET	HG2	H	2.423	0.000
43	1	5	MET	HG3	H	2.268	0.000
44	1	5	MET	CA	C	53.719	0.029
45	1	5	MET	CB	C	31.346	0.004
46	1	5	MET	CG	C	32.474	0.008
47	1	5	MET	N	N	120.762	0.008
48	1	6	PRO	HA	H	4.390	0.003
49	1	6	PRO	HB2	H	2.171	0.000
50	1	6	PRO	HB3	H	1.779	0.000
51	1	6	PRO	HG2	H	1.395	0.000
52	1	6	PRO	HG3	H	0.983	0.000
53	1	6	PRO	HD2	H	3.423	0.000
54	1	6	PRO	HD3	H	3.005	0.002
55	1	6	PRO	C	C	177.884	0.000
56	1	6	PRO	CA	C	63.890	0.002
57	1	6	PRO	CB	C	32.590	0.000
58	1	6	PRO	CG	C	27.079	0.003
59	1	6	PRO	CD	C	50.417	0.032
60	1	7	LYS	H	H	8.863	0.005
61	1	7	LYS	HA	H	4.808	0.000
62	1	7	LYS	HB2	H	2.509	0.000
63	1	7	LYS	HB3	H	2.509	0.000
64	1	7	LYS	HG2	H	1.201	0.000
65	1	7	LYS	HG3	H	1.201	0.000
66	1	7	LYS	HD2	H	1.666	0.000
67	1	7	LYS	HD3	H	1.666	0.000
68	1	7	LYS	HE2	H	3.154	0.000
69	1	7	LYS	HE3	H	3.154	0.000
70	1	7	LYS	C	C	174.799	0.000
71	1	7	LYS	CA	C	56.773	0.246
72	1	7	LYS	CB	C	34.900	0.018
73	1	7	LYS	CG	C	24.980	0.000
74	1	7	LYS	CD	C	29.644	0.000
75	1	7	LYS	CE	C	42.553	0.000
76	1	7	LYS	N	N	118.504	0.086
77	1	8	THR	H	H	8.055	0.019
78	1	8	THR	HA	H	5.608	0.005
79	1	8	THR	HB	H	4.142	0.000
80	1	8	THR	HG21	H	1.175	0.000
81	1	8	THR	HG22	H	1.175	0.000
82	1	8	THR	HG23	H	1.175	0.000
83	1	8	THR	C	C	173.883	0.000
84	1	8	THR	CA	C	61.818	0.041
85	1	8	THR	CB	C	69.526	0.076
86	1	8	THR	CG2	C	21.717	0.000
87	1	8	THR	N	N	115.490	0.212
88	1	9	LEU	H	H	9.549	0.004
89	1	9	LEU	HA	H	5.067	0.001
90	1	9	LEU	HB2	H	1.579	0.004
91	1	9	LEU	HB3	H	1.301	0.003
92	1	9	LEU	HG	H	0.851	0.000
93	1	9	LEU	HD11	H	0.070	0.000
94	1	9	LEU	HD12	H	0.070	0.000
95	1	9	LEU	HD13	H	0.070	0.000
96	1	9	LEU	HD21	H	0.067	0.000
97	1	9	LEU	HD22	H	0.067	0.000
98	1	9	LEU	HD23	H	0.067	0.000
99	1	9	LEU	C	C	175.836	0.000
100	1	9	LEU	CA	C	53.123	0.012
101	1	9	LEU	CB	C	44.205	0.029
102	1	9	LEU	CG	C	26.569	0.000
103	1	9	LEU	CD1	C	23.120	0.000
104	1	9	LEU	CD2	C	23.119	0.000
105	1	9	LEU	N	N	126.300	0.060
106	1	10	TYR	H	H	9.269	0.009
107	1	10	TYR	HA	H	4.864	0.002
108	1	10	TYR	HB2	H	2.887	0.000
109	1	10	TYR	HB3	H	2.753	0.000
110	1	10	TYR	HD1	H	6.783	0.000
111	1	10	TYR	HD2	H	6.783	0.000
112	1	10	TYR	HE1	H	6.153	0.000
113	1	10	TYR	HE2	H	6.153	0.000
114	1	10	TYR	CA	C	57.152	0.046
115	1	10	TYR	CB	C	40.455	0.018
116	1	10	TYR	CD1	C	130.576	0.000
117	1	10	TYR	CD2	C	130.576	0.000
118	1	10	TYR	CE1	C	115.096	0.000
119	1	10	TYR	CE2	C	115.096	0.000
120	1	10	TYR	N	N	123.954	0.079
121	1	11	VAL	H	H	8.479	0.009
122	1	11	VAL	HA	H	4.551	0.001
123	1	11	VAL	HB	H	1.965	0.000
124	1	11	VAL	HG11	H	0.754	0.001
125	1	11	VAL	HG12	H	0.754	0.001
126	1	11	VAL	HG13	H	0.754	0.001
127	1	11	VAL	HG21	H	0.518	0.001
128	1	11	VAL	HG22	H	0.518	0.001
129	1	11	VAL	HG23	H	0.518	0.001
130	1	11	VAL	C	C	174.126	0.000
131	1	11	VAL	CA	C	60.843	0.004
132	1	11	VAL	CB	C	32.510	0.011
133	1	11	VAL	CG1	C	21.289	0.030
134	1	11	VAL	CG2	C	21.250	0.022
135	1	11	VAL	N	N	127.988	0.070
136	1	12	GLY	H	H	9.192	0.002
137	1	12	GLY	HA2	H	4.639	0.000
138	1	12	GLY	HA3	H	3.626	0.001
139	1	12	GLY	C	C	173.684	0.000
140	1	12	GLY	CA	C	43.266	0.007
141	1	12	GLY	N	N	112.642	0.067
142	1	13	ASN	H	H	9.187	0.002
143	1	13	ASN	HA	H	4.292	0.007
144	1	13	ASN	HB2	H	3.716	0.000
145	1	13	ASN	HB3	H	2.515	0.000
146	1	13	ASN	C	C	173.992	0.000
147	1	13	ASN	CA	C	54.094	0.005
148	1	13	ASN	CB	C	38.620	0.030
149	1	13	ASN	N	N	116.787	0.028
150	1	14	LEU	H	H	7.073	0.000
151	1	14	LEU	HA	H	4.219	0.001
152	1	14	LEU	HB2	H	1.502	0.010
153	1	14	LEU	HB3	H	1.172	0.002
154	1	14	LEU	HG	H	0.555	0.003
155	1	14	LEU	HD11	H	0.663	0.000
156	1	14	LEU	HD12	H	0.663	0.000
157	1	14	LEU	HD13	H	0.663	0.000
158	1	14	LEU	HD21	H	0.663	0.000
159	1	14	LEU	HD22	H	0.663	0.000
160	1	14	LEU	HD23	H	0.663	0.000
161	1	14	LEU	C	C	178.025	0.000
162	1	14	LEU	CA	C	53.730	0.022
163	1	14	LEU	CB	C	42.836	0.038
164	1	14	LEU	CG	C	26.562	0.043
165	1	14	LEU	CD1	C	23.375	0.000
166	1	14	LEU	CD2	C	23.375	0.000
167	1	14	LEU	N	N	113.129	0.022
168	1	15	SER	H	H	8.352	0.001
169	1	15	SER	HA	H	4.369	0.001
170	1	15	SER	HB2	H	4.053	0.000
171	1	15	SER	HB3	H	3.702	0.000
172	1	15	SER	C	C	175.744	0.000
173	1	15	SER	CA	C	57.378	0.044
174	1	15	SER	CB	C	63.929	0.046
175	1	15	SER	N	N	115.085	0.017
176	1	16	ARG	H	H	8.723	0.000
177	1	16	ARG	HA	H	4.009	0.007
178	1	16	ARG	HB2	H	1.897	0.000
179	1	16	ARG	HB3	H	1.812	0.008
180	1	16	ARG	HG2	H	1.904	0.000
181	1	16	ARG	HG3	H	1.904	0.000
182	1	16	ARG	HD2	H	3.212	0.000
183	1	16	ARG	HD3	H	3.212	0.000
184	1	16	ARG	C	C	175.972	0.000
185	1	16	ARG	CA	C	58.473	0.042
186	1	16	ARG	CB	C	29.699	0.035
187	1	16	ARG	CG	C	27.849	0.011
188	1	16	ARG	CD	C	43.331	0.019
189	1	16	ARG	N	N	123.567	0.007
190	1	17	ASP	H	H	8.092	0.001
191	1	17	ASP	HA	H	4.585	0.000
192	1	17	ASP	HB2	H	2.743	0.007
193	1	17	ASP	HB3	H	2.451	0.002
194	1	17	ASP	C	C	176.091	0.000
195	1	17	ASP	CA	C	54.432	0.023
196	1	17	ASP	CB	C	41.461	0.027
197	1	17	ASP	N	N	115.928	0.011
198	1	18	VAL	H	H	7.382	0.014
199	1	18	VAL	HA	H	3.739	0.000
200	1	18	VAL	HB	H	2.089	0.000
201	1	18	VAL	HG11	H	1.012	0.000
202	1	18	VAL	HG12	H	1.012	0.000
203	1	18	VAL	HG13	H	1.012	0.000
204	1	18	VAL	HG21	H	0.920	0.000
205	1	18	VAL	HG22	H	0.920	0.000
206	1	18	VAL	HG23	H	0.920	0.000
207	1	18	VAL	C	C	174.021	0.000
208	1	18	VAL	CA	C	63.900	0.001
209	1	18	VAL	CB	C	31.846	0.017
210	1	18	VAL	CG1	C	22.959	0.000
211	1	18	VAL	CG2	C	22.959	0.000
212	1	18	VAL	N	N	119.989	0.081
213	1	19	THR	H	H	6.563	0.003
214	1	19	THR	HA	H	4.614	0.009
215	1	19	THR	HB	H	4.605	0.000
216	1	19	THR	HG21	H	1.190	0.017
217	1	19	THR	HG22	H	1.190	0.017
218	1	19	THR	HG23	H	1.190	0.017
219	1	19	THR	C	C	174.679	0.000
220	1	19	THR	CA	C	58.821	0.025
221	1	19	THR	CB	C	72.192	0.003
222	1	19	THR	CG2	C	21.699	0.038
223	1	19	THR	N	N	112.365	0.017
224	1	20	GLU	H	H	9.091	0.001
225	1	20	GLU	HA	H	3.719	0.000
226	1	20	GLU	HB2	H	2.025	0.000
227	1	20	GLU	HB3	H	1.955	0.000
228	1	20	GLU	HG2	H	2.193	0.000
229	1	20	GLU	HG3	H	2.193	0.000
230	1	20	GLU	C	C	177.671	0.000
231	1	20	GLU	CA	C	59.881	0.065
232	1	20	GLU	CB	C	30.290	0.001
233	1	20	GLU	CG	C	37.088	0.000
234	1	20	GLU	N	N	121.818	0.008
235	1	21	ALA	H	H	8.132	0.001
236	1	21	ALA	HA	H	4.013	0.001
237	1	21	ALA	HB1	H	1.357	0.003
238	1	21	ALA	HB2	H	1.357	0.003
239	1	21	ALA	HB3	H	1.357	0.003
240	1	21	ALA	C	C	180.393	0.000
241	1	21	ALA	CA	C	55.096	0.025
242	1	21	ALA	CB	C	18.326	0.042
243	1	21	ALA	N	N	118.415	0.023
244	1	22	LEU	H	H	7.662	0.000
245	1	22	LEU	HA	H	4.144	0.000
246	1	22	LEU	HB2	H	1.804	0.003
247	1	22	LEU	HB3	H	1.672	0.000
248	1	22	LEU	HG	H	1.581	0.000
249	1	22	LEU	HD11	H	0.974	0.000
250	1	22	LEU	HD12	H	0.974	0.000
251	1	22	LEU	HD13	H	0.974	0.000
252	1	22	LEU	HD21	H	0.974	0.000
253	1	22	LEU	HD22	H	0.974	0.000
254	1	22	LEU	HD23	H	0.974	0.000
255	1	22	LEU	C	C	178.752	0.000
256	1	22	LEU	CA	C	57.918	0.098
257	1	22	LEU	CB	C	42.142	0.047
258	1	22	LEU	CG	C	27.359	0.019
259	1	22	LEU	CD1	C	26.187	0.000
260	1	22	LEU	CD2	C	26.187	0.000
261	1	22	LEU	N	N	120.447	0.015
262	1	23	ILE	H	H	7.611	0.003
263	1	23	ILE	HA	H	3.732	0.000
264	1	23	ILE	HB	H	2.117	0.002
265	1	23	ILE	HG12	H	1.467	0.011
266	1	23	ILE	HG13	H	1.279	0.006
267	1	23	ILE	HG21	H	0.619	0.000
268	1	23	ILE	HG22	H	0.619	0.000
269	1	23	ILE	HG23	H	0.619	0.000
270	1	23	ILE	HD11	H	0.616	0.001
271	1	23	ILE	HD12	H	0.616	0.001
272	1	23	ILE	HD13	H	0.616	0.001
273	1	23	ILE	C	C	178.340	0.000
274	1	23	ILE	CA	C	62.316	0.000
275	1	23	ILE	CB	C	35.059	0.043
276	1	23	ILE	CG1	C	26.355	0.023
277	1	23	ILE	CG2	C	18.500	0.000
278	1	23	ILE	CD1	C	9.293	0.008
279	1	23	ILE	N	N	118.562	0.074
280	1	24	LEU	H	H	8.556	0.001
281	1	24	LEU	HA	H	3.976	0.003
282	1	24	LEU	HB2	H	1.680	0.000
283	1	24	LEU	HB3	H	1.680	0.000
284	1	24	LEU	HG	H	1.532	0.000
285	1	24	LEU	HD11	H	0.781	0.000
286	1	24	LEU	HD12	H	0.781	0.000
287	1	24	LEU	HD13	H	0.781	0.000
288	1	24	LEU	HD21	H	0.753	0.000
289	1	24	LEU	HD22	H	0.753	0.000
290	1	24	LEU	HD23	H	0.753	0.000
291	1	24	LEU	C	C	180.155	0.000
292	1	24	LEU	CA	C	58.545	0.007
293	1	24	LEU	CB	C	41.653	0.018
294	1	24	LEU	CG	C	27.031	0.000
295	1	24	LEU	CD1	C	24.250	0.000
296	1	24	LEU	CD2	C	24.250	0.000
297	1	24	LEU	N	N	119.959	0.040
298	1	25	GLN	H	H	8.237	0.001
299	1	25	GLN	HA	H	3.923	0.001
300	1	25	GLN	HB2	H	2.250	0.004
301	1	25	GLN	HB3	H	2.250	0.004
302	1	25	GLN	HG2	H	2.459	0.003
303	1	25	GLN	HG3	H	2.459	0.003
304	1	25	GLN	CA	C	59.570	0.030
305	1	25	GLN	CB	C	28.476	0.023
306	1	25	GLN	CG	C	33.857	0.028
307	1	25	GLN	N	N	121.315	0.072
308	1	26	LEU	H	H	8.272	0.001
309	1	26	LEU	HA	H	4.093	0.000
310	1	26	LEU	HB2	H	1.903	0.002
311	1	26	LEU	HB3	H	1.316	0.001
312	1	26	LEU	HG	H	0.812	0.000
313	1	26	LEU	HD11	H	0.788	0.000
314	1	26	LEU	HD12	H	0.788	0.000
315	1	26	LEU	HD13	H	0.788	0.000
316	1	26	LEU	HD21	H	0.785	0.000
317	1	26	LEU	HD22	H	0.785	0.000
318	1	26	LEU	HD23	H	0.785	0.000
319	1	26	LEU	C	C	180.169	0.000
320	1	26	LEU	CA	C	57.686	0.000
321	1	26	LEU	CB	C	42.822	0.026
322	1	26	LEU	CG	C	25.960	0.000
323	1	26	LEU	CD1	C	23.116	0.000
324	1	26	LEU	CD2	C	23.116	0.000
325	1	26	LEU	N	N	118.180	0.000
326	1	27	PHE	H	H	9.070	0.001
327	1	27	PHE	HA	H	4.100	0.000
328	1	27	PHE	HB2	H	3.105	0.001
329	1	27	PHE	HB3	H	2.997	0.000
330	1	27	PHE	HD1	H	7.660	0.000
331	1	27	PHE	HD2	H	7.660	0.000
332	1	27	PHE	HE1	H	6.999	0.000
333	1	27	PHE	HE2	H	6.999	0.000
334	1	27	PHE	C	C	177.265	0.000
335	1	27	PHE	CA	C	62.792	0.036
336	1	27	PHE	CB	C	37.946	0.006
337	1	27	PHE	CD1	C	129.087	0.000
338	1	27	PHE	CD2	C	129.087	0.000
339	1	27	PHE	CE1	C	127.491	0.000
340	1	27	PHE	CE2	C	127.491	0.000
341	1	27	PHE	N	N	117.715	0.025
342	1	28	SER	H	H	8.370	0.001
343	1	28	SER	HA	H	5.130	0.000
344	1	28	SER	HB2	H	4.031	0.010
345	1	28	SER	HB3	H	3.946	0.006
346	1	28	SER	C	C	175.309	0.000
347	1	28	SER	CA	C	60.742	0.022
348	1	28	SER	CB	C	63.212	0.028
349	1	28	SER	N	N	114.752	0.000
350	1	29	GLN	H	H	7.152	0.001
351	1	29	GLN	HA	H	4.024	0.003
352	1	29	GLN	HB2	H	2.066	0.004
353	1	29	GLN	HB3	H	2.066	0.004
354	1	29	GLN	HG2	H	2.675	0.000
355	1	29	GLN	HG3	H	2.675	0.000
356	1	29	GLN	C	C	177.346	0.000
357	1	29	GLN	CA	C	57.700	0.005
358	1	29	GLN	CB	C	28.581	0.007
359	1	29	GLN	CG	C	34.183	0.000
360	1	29	GLN	N	N	118.301	0.009
361	1	30	ILE	H	H	7.610	0.001
362	1	30	ILE	HA	H	3.886	0.000
363	1	30	ILE	HB	H	2.215	0.000
364	1	30	ILE	HG12	H	1.364	0.000
365	1	30	ILE	HG13	H	1.216	0.002
366	1	30	ILE	HG21	H	0.828	0.000
367	1	30	ILE	HG22	H	0.828	0.000
368	1	30	ILE	HG23	H	0.828	0.000
369	1	30	ILE	HD11	H	0.640	0.001
370	1	30	ILE	HD12	H	0.640	0.001
371	1	30	ILE	HD13	H	0.640	0.001
372	1	30	ILE	C	C	176.112	0.000
373	1	30	ILE	CA	C	61.863	0.081
374	1	30	ILE	CB	C	37.062	0.006
375	1	30	ILE	CG1	C	28.250	0.027
376	1	30	ILE	CG2	C	18.458	0.008
377	1	30	ILE	CD1	C	11.171	0.011
378	1	30	ILE	N	N	118.563	0.000
379	1	31	GLY	H	H	7.365	0.000
380	1	31	GLY	HA2	H	3.768	0.000
381	1	31	GLY	HA3	H	3.133	0.000
382	1	31	GLY	CA	C	44.695	0.007
383	1	31	GLY	N	N	105.528	0.000
384	1	32	PRO	HA	H	4.418	0.003
385	1	32	PRO	HB2	H	2.306	0.009
386	1	32	PRO	HB3	H	1.889	0.000
387	1	32	PRO	HG2	H	1.966	0.000
388	1	32	PRO	HG3	H	1.966	0.000
389	1	32	PRO	HD2	H	3.435	0.002
390	1	32	PRO	HD3	H	3.372	0.001
391	1	32	PRO	C	C	177.815	0.000
392	1	32	PRO	CA	C	63.971	0.012
393	1	32	PRO	CB	C	32.453	0.000
394	1	32	PRO	CG	C	27.637	0.000
395	1	32	PRO	CD	C	49.414	0.065
396	1	33	CYS	H	H	8.987	0.001
397	1	33	CYS	HA	H	4.355	0.008
398	1	33	CYS	HB2	H	2.379	0.001
399	1	33	CYS	HB3	H	2.024	0.000
400	1	33	CYS	C	C	173.649	0.000
401	1	33	CYS	CA	C	58.889	0.057
402	1	33	CYS	CB	C	29.325	0.035
403	1	33	CYS	N	N	123.116	0.026
404	1	34	LYS	H	H	8.951	0.001
405	1	34	LYS	HA	H	3.981	0.005
406	1	34	LYS	HB2	H	1.136	0.002
407	1	34	LYS	HB3	H	0.570	0.002
408	1	34	LYS	HG2	H	1.010	0.000
409	1	34	LYS	HG3	H	1.010	0.000
410	1	34	LYS	HD2	H	1.349	0.000
411	1	34	LYS	HD3	H	1.349	0.000
412	1	34	LYS	C	C	175.812	0.000
413	1	34	LYS	CA	C	57.613	0.019
414	1	34	LYS	CB	C	34.350	0.018
415	1	34	LYS	CG	C	24.453	0.000
416	1	34	LYS	CD	C	29.510	0.000
417	1	34	LYS	CE	C	41.999	0.000
418	1	34	LYS	N	N	124.830	0.015
419	1	35	ASN	H	H	7.575	0.002
420	1	35	ASN	HA	H	4.671	0.001
421	1	35	ASN	HB2	H	2.631	0.008
422	1	35	ASN	HB3	H	2.631	0.008
423	1	35	ASN	C	C	172.802	0.000
424	1	35	ASN	CA	C	53.112	0.011
425	1	35	ASN	CB	C	42.099	0.010
426	1	35	ASN	N	N	111.653	0.020
427	1	36	CYS	H	H	8.497	0.001
428	1	36	CYS	HA	H	5.047	0.000
429	1	36	CYS	HB2	H	2.574	0.003
430	1	36	CYS	HB3	H	2.574	0.003
431	1	36	CYS	C	C	174.736	0.000
432	1	36	CYS	CA	C	57.505	0.021
433	1	36	CYS	CB	C	28.861	0.024
434	1	36	CYS	N	N	120.663	0.016
435	1	37	LYS	H	H	8.595	0.003
436	1	37	LYS	HA	H	4.701	0.000
437	1	37	LYS	HB2	H	1.842	0.001
438	1	37	LYS	HB3	H	1.689	0.004
439	1	37	LYS	HG2	H	1.388	0.003
440	1	37	LYS	HG3	H	1.388	0.003
441	1	37	LYS	HD2	H	1.665	0.019
442	1	37	LYS	HD3	H	1.665	0.019
443	1	37	LYS	HE2	H	2.925	0.000
444	1	37	LYS	HE3	H	2.925	0.000
445	1	37	LYS	C	C	174.431	0.000
446	1	37	LYS	CA	C	54.592	0.003
447	1	37	LYS	CB	C	35.464	0.020
448	1	37	LYS	CG	C	24.768	0.035
449	1	37	LYS	CD	C	29.237	0.097
450	1	37	LYS	CE	C	42.345	0.000
451	1	37	LYS	N	N	127.468	0.013
452	1	38	MET	H	H	9.434	0.001
453	1	38	MET	HA	H	4.607	0.000
454	1	38	MET	HB2	H	2.001	0.000
455	1	38	MET	HB3	H	1.732	0.000
456	1	38	MET	HG2	H	2.589	0.000
457	1	38	MET	HG3	H	2.513	0.000
458	1	38	MET	C	C	175.065	0.000
459	1	38	MET	CA	C	54.647	0.000
460	1	38	MET	CB	C	33.438	0.050
461	1	38	MET	CG	C	32.244	0.002
462	1	38	MET	N	N	126.601	0.022
463	1	39	ILE	H	H	9.004	0.001
464	1	39	ILE	HA	H	4.006	0.001
465	1	39	ILE	HB	H	0.635	0.000
466	1	39	ILE	HG12	H	1.132	0.002
467	1	39	ILE	HG13	H	1.039	0.000
468	1	39	ILE	HG21	H	0.631	0.001
469	1	39	ILE	HG22	H	0.631	0.001
470	1	39	ILE	HG23	H	0.631	0.001
471	1	39	ILE	HD11	H	0.689	0.002
472	1	39	ILE	HD12	H	0.689	0.002
473	1	39	ILE	HD13	H	0.689	0.002
474	1	39	ILE	C	C	174.381	0.000
475	1	39	ILE	CA	C	60.121	0.015
476	1	39	ILE	CB	C	37.005	0.018
477	1	39	ILE	CG1	C	27.654	0.031
478	1	39	ILE	CG2	C	18.258	0.016
479	1	39	ILE	CD1	C	12.084	0.033
480	1	39	ILE	N	N	129.715	0.009
481	1	40	MET	H	H	8.109	0.004
482	1	40	MET	HA	H	4.597	0.000
483	1	40	MET	HB2	H	2.009	0.000
484	1	40	MET	HB3	H	1.870	0.000
485	1	40	MET	HG2	H	2.589	0.000
486	1	40	MET	HG3	H	2.502	0.000
487	1	40	MET	C	C	175.967	0.000
488	1	40	MET	CA	C	54.348	0.058
489	1	40	MET	CB	C	33.436	0.010
490	1	40	MET	CG	C	32.189	0.000
491	1	40	MET	N	N	123.698	0.022
492	1	41	ASP	H	H	8.467	0.002
493	1	41	ASP	HA	H	4.739	0.002
494	1	41	ASP	HB2	H	2.820	0.000
495	1	41	ASP	HB3	H	2.752	0.000
496	1	41	ASP	C	C	177.007	0.000
497	1	41	ASP	CA	C	53.687	0.080
498	1	41	ASP	CB	C	41.696	0.002
499	1	41	ASP	N	N	122.969	0.020
500	1	42	THR	H	H	8.301	0.001
501	1	42	THR	HA	H	4.266	0.002
502	1	42	THR	HB	H	4.333	0.000
503	1	42	THR	HG21	H	1.218	0.000
504	1	42	THR	HG22	H	1.218	0.000
505	1	42	THR	HG23	H	1.218	0.000
506	1	42	THR	C	C	175.038	0.000
507	1	42	THR	CA	C	62.790	0.035
508	1	42	THR	CB	C	69.154	0.008
509	1	42	THR	CG2	C	21.725	0.000
510	1	42	THR	N	N	113.754	0.021
511	1	43	ALA	H	H	8.313	0.000
512	1	43	ALA	HA	H	4.325	0.012
513	1	43	ALA	HB1	H	1.402	0.000
514	1	43	ALA	HB2	H	1.402	0.000
515	1	43	ALA	HB3	H	1.402	0.000
516	1	43	ALA	C	C	177.977	0.000
517	1	43	ALA	CA	C	52.879	0.038
518	1	43	ALA	CB	C	18.889	0.010
519	1	43	ALA	N	N	124.798	0.004
520	1	44	GLY	H	H	8.138	0.002
521	1	44	GLY	HA2	H	4.059	0.001
522	1	44	GLY	HA3	H	3.802	0.001
523	1	44	GLY	C	C	174.437	0.000
524	1	44	GLY	CA	C	45.620	0.009
525	1	44	GLY	N	N	107.336	0.007
526	1	45	ASN	H	H	8.250	0.000
527	1	45	ASN	HA	H	4.803	0.002
528	1	45	ASN	HB2	H	2.847	0.004
529	1	45	ASN	HB3	H	2.847	0.004
530	1	45	ASN	C	C	174.745	0.000
531	1	45	ASN	CA	C	53.170	0.044
532	1	45	ASN	CB	C	39.798	0.036
533	1	45	ASN	N	N	118.482	0.008
534	1	46	ASP	H	H	8.663	0.001
535	1	46	ASP	HA	H	4.651	0.000
536	1	46	ASP	HB2	H	2.721	0.000
537	1	46	ASP	HB3	H	2.721	0.000
538	1	46	ASP	CA	C	53.986	0.009
539	1	46	ASP	CB	C	40.599	0.000
540	1	46	ASP	N	N	121.023	0.000
541	1	47	PRO	HA	H	4.742	0.002
542	1	47	PRO	HB2	H	2.297	0.000
543	1	47	PRO	HB3	H	1.776	0.000
544	1	47	PRO	HG2	H	1.820	0.000
545	1	47	PRO	HG3	H	1.820	0.000
546	1	47	PRO	HD2	H	3.752	0.000
547	1	47	PRO	HD3	H	3.752	0.000
548	1	47	PRO	C	C	174.506	0.000
549	1	47	PRO	CA	C	63.178	0.026
550	1	47	PRO	CB	C	33.036	0.000
551	1	47	PRO	CG	C	27.604	0.000
552	1	47	PRO	CD	C	50.383	0.000
553	1	48	TYR	H	H	7.947	0.001
554	1	48	TYR	HA	H	5.037	0.001
555	1	48	TYR	HB2	H	3.008	0.000
556	1	48	TYR	HB3	H	2.471	0.001
557	1	48	TYR	HD1	H	6.664	0.000
558	1	48	TYR	HD2	H	6.664	0.000
559	1	48	TYR	HE1	H	6.654	0.000
560	1	48	TYR	HE2	H	6.654	0.000
561	1	48	TYR	C	C	172.550	0.000
562	1	48	TYR	CA	C	55.614	0.106
563	1	48	TYR	CB	C	40.635	0.005
564	1	48	TYR	CD1	C	131.545	0.000
565	1	48	TYR	CD2	C	131.545	0.000
566	1	48	TYR	CE1	C	115.103	0.000
567	1	48	TYR	CE2	C	115.103	0.000
568	1	48	TYR	N	N	115.051	0.015
569	1	49	CYS	H	H	9.014	0.001
570	1	49	CYS	HA	H	5.332	0.002
571	1	49	CYS	HB2	H	2.588	0.005
572	1	49	CYS	HB3	H	2.513	0.012
573	1	49	CYS	C	C	172.304	0.000
574	1	49	CYS	CA	C	55.941	0.052
575	1	49	CYS	CB	C	32.368	0.031
576	1	49	CYS	N	N	115.037	0.026
577	1	50	PHE	H	H	8.500	0.001
578	1	50	PHE	HA	H	5.845	0.001
579	1	50	PHE	HB2	H	2.864	0.000
580	1	50	PHE	HB3	H	2.816	0.002
581	1	50	PHE	HD1	H	7.624	0.000
582	1	50	PHE	HD2	H	7.624	0.000
583	1	50	PHE	HE1	H	7.251	0.000
584	1	50	PHE	HE2	H	7.251	0.000
585	1	50	PHE	C	C	176.271	0.000
586	1	50	PHE	CA	C	55.908	0.087
587	1	50	PHE	CB	C	41.831	0.069
588	1	50	PHE	CD1	C	128.964	0.000
589	1	50	PHE	CD2	C	128.964	0.000
590	1	50	PHE	CE1	C	128.835	0.000
591	1	50	PHE	CE2	C	128.835	0.000
592	1	50	PHE	N	N	118.944	0.028
593	1	51	VAL	H	H	9.079	0.001
594	1	51	VAL	HA	H	4.372	0.009
595	1	51	VAL	HB	H	1.470	0.001
596	1	51	VAL	HG11	H	0.290	0.002
597	1	51	VAL	HG12	H	0.290	0.002
598	1	51	VAL	HG13	H	0.290	0.002
599	1	51	VAL	HG21	H	0.265	0.023
600	1	51	VAL	HG22	H	0.265	0.023
601	1	51	VAL	HG23	H	0.265	0.023
602	1	51	VAL	C	C	173.125	0.000
603	1	51	VAL	CA	C	61.308	0.032
604	1	51	VAL	CB	C	34.443	0.001
605	1	51	VAL	CG1	C	21.992	0.064
606	1	51	VAL	CG2	C	21.992	0.064
607	1	51	VAL	N	N	123.409	0.026
608	1	52	GLU	H	H	8.486	0.002
609	1	52	GLU	HA	H	5.124	0.003
610	1	52	GLU	HB2	H	1.811	0.000
611	1	52	GLU	HB3	H	1.811	0.000
612	1	52	GLU	HG2	H	2.015	0.000
613	1	52	GLU	HG3	H	2.015	0.000
614	1	52	GLU	C	C	176.157	0.000
615	1	52	GLU	CA	C	54.379	0.019
616	1	52	GLU	CB	C	32.457	0.000
617	1	52	GLU	CG	C	36.071	0.083
618	1	52	GLU	N	N	128.406	0.000
619	1	53	PHE	H	H	9.101	0.001
620	1	53	PHE	HA	H	4.649	0.003
621	1	53	PHE	HB2	H	3.009	0.000
622	1	53	PHE	HB3	H	3.009	0.000
623	1	53	PHE	HD1	H	7.328	0.000
624	1	53	PHE	HD2	H	7.328	0.000
625	1	53	PHE	HE1	H	7.150	0.000
626	1	53	PHE	HE2	H	7.150	0.000
627	1	53	PHE	C	C	175.380	0.000
628	1	53	PHE	CA	C	58.778	0.013
629	1	53	PHE	CB	C	41.203	0.003
630	1	53	PHE	CD1	C	129.224	0.000
631	1	53	PHE	CD2	C	129.224	0.000
632	1	53	PHE	CE1	C	128.671	0.000
633	1	53	PHE	CE2	C	128.671	0.000
634	1	53	PHE	N	N	126.518	0.022
635	1	54	HIS	H	H	8.143	0.001
636	1	54	HIS	HA	H	4.379	0.002
637	1	54	HIS	HB2	H	3.390	0.010
638	1	54	HIS	HB3	H	3.300	0.001
639	1	54	HIS	HD2	H	6.675	0.000
640	1	54	HIS	HE1	H	7.947	0.000
641	1	54	HIS	CA	C	60.290	0.026
642	1	54	HIS	CB	C	31.179	0.072
643	1	54	HIS	CD2	C	116.040	0.000
644	1	54	HIS	CE1	C	135.802	0.000
645	1	54	HIS	N	N	117.424	0.009
646	1	55	GLU	H	H	8.895	0.003
647	1	55	GLU	HA	H	4.928	0.002
648	1	55	GLU	HB2	H	2.104	0.000
649	1	55	GLU	HB3	H	1.905	0.000
650	1	55	GLU	HG2	H	2.291	0.001
651	1	55	GLU	HG3	H	2.291	0.001
652	1	55	GLU	C	C	177.017	0.000
653	1	55	GLU	CA	C	54.724	0.033
654	1	55	GLU	CB	C	32.920	0.000
655	1	55	GLU	CG	C	36.288	0.007
656	1	55	GLU	N	N	114.979	0.026
657	1	56	HIS	H	H	9.766	0.006
658	1	56	HIS	HA	H	4.406	0.009
659	1	56	HIS	HB2	H	3.310	0.003
660	1	56	HIS	HB3	H	3.072	0.002
661	1	56	HIS	HD2	H	7.220	0.000
662	1	56	HIS	HE1	H	7.998	0.000
663	1	56	HIS	CA	C	60.214	0.028
664	1	56	HIS	CB	C	28.373	0.023
665	1	56	HIS	CD2	C	122.088	0.000
666	1	56	HIS	CE1	C	134.809	0.000
667	1	56	HIS	N	N	124.932	0.063
668	1	57	ARG	H	H	9.353	0.004
669	1	57	ARG	HA	H	3.917	0.005
670	1	57	ARG	HB2	H	1.768	0.000
671	1	57	ARG	HB3	H	1.768	0.000
672	1	57	ARG	HG2	H	1.276	0.000
673	1	57	ARG	HG3	H	1.276	0.000
674	1	57	ARG	HD2	H	3.050	0.002
675	1	57	ARG	HD3	H	3.050	0.002
676	1	57	ARG	C	C	178.611	0.000
677	1	57	ARG	CA	C	58.625	0.040
678	1	57	ARG	CB	C	28.470	0.002
679	1	57	ARG	CG	C	26.546	0.000
680	1	57	ARG	CD	C	43.346	0.068
681	1	57	ARG	N	N	115.699	0.030
682	1	58	HIS	H	H	6.630	0.019
683	1	58	HIS	HA	H	4.280	0.000
684	1	58	HIS	HB2	H	3.247	0.000
685	1	58	HIS	HB3	H	2.741	0.000
686	1	58	HIS	HD2	H	7.004	0.000
687	1	58	HIS	HE1	H	7.823	0.000
688	1	58	HIS	CA	C	58.147	0.097
689	1	58	HIS	CB	C	32.001	0.013
690	1	58	HIS	CD2	C	113.622	0.000
691	1	58	HIS	CE1	C	135.504	0.000
692	1	58	HIS	N	N	119.745	0.048
693	1	59	ALA	H	H	6.984	0.001
694	1	59	ALA	HA	H	2.925	0.002
695	1	59	ALA	HB1	H	1.479	0.000
696	1	59	ALA	HB2	H	1.479	0.000
697	1	59	ALA	HB3	H	1.479	0.000
698	1	59	ALA	C	C	178.174	0.000
699	1	59	ALA	CA	C	54.801	0.007
700	1	59	ALA	CB	C	18.360	0.015
701	1	59	ALA	N	N	122.638	0.014
702	1	60	ALA	H	H	8.340	0.003
703	1	60	ALA	HA	H	3.813	0.010
704	1	60	ALA	HB1	H	1.289	0.001
705	1	60	ALA	HB2	H	1.289	0.001
706	1	60	ALA	HB3	H	1.289	0.001
707	1	60	ALA	C	C	180.550	0.000
708	1	60	ALA	CA	C	54.803	0.039
709	1	60	ALA	CB	C	17.718	0.062
710	1	60	ALA	N	N	118.280	0.010
711	1	61	ALA	H	H	7.417	0.000
712	1	61	ALA	HA	H	4.103	0.003
713	1	61	ALA	HB1	H	1.424	0.000
714	1	61	ALA	HB2	H	1.424	0.000
715	1	61	ALA	HB3	H	1.424	0.000
716	1	61	ALA	C	C	180.511	0.000
717	1	61	ALA	CA	C	54.539	0.051
718	1	61	ALA	CB	C	17.976	0.014
719	1	61	ALA	N	N	120.950	0.013
720	1	62	ALA	H	H	8.374	0.001
721	1	62	ALA	HA	H	3.818	0.008
722	1	62	ALA	HB1	H	1.357	0.014
723	1	62	ALA	HB2	H	1.357	0.014
724	1	62	ALA	HB3	H	1.357	0.014
725	1	62	ALA	CA	C	55.093	0.022
726	1	62	ALA	CB	C	19.502	0.065
727	1	62	ALA	N	N	122.481	0.014
728	1	63	LEU	H	H	7.894	0.003
729	1	63	LEU	HA	H	3.580	0.000
730	1	63	LEU	HB2	H	1.512	0.006
731	1	63	LEU	HB3	H	1.054	0.002
732	1	63	LEU	HG	H	1.183	0.000
733	1	63	LEU	HD11	H	0.466	0.001
734	1	63	LEU	HD12	H	0.466	0.001
735	1	63	LEU	HD13	H	0.466	0.001
736	1	63	LEU	HD21	H	0.189	0.000
737	1	63	LEU	HD22	H	0.189	0.000
738	1	63	LEU	HD23	H	0.189	0.000
739	1	63	LEU	CA	C	59.224	0.025
740	1	63	LEU	CB	C	41.626	0.031
741	1	63	LEU	CG	C	27.340	0.000
742	1	63	LEU	CD1	C	24.943	0.045
743	1	63	LEU	CD2	C	25.000	0.000
744	1	63	LEU	N	N	121.180	0.000
745	1	64	ALA	H	H	6.952	0.001
746	1	64	ALA	HA	H	4.062	0.004
747	1	64	ALA	HB1	H	1.413	0.000
748	1	64	ALA	HB2	H	1.413	0.000
749	1	64	ALA	HB3	H	1.413	0.000
750	1	64	ALA	C	C	179.724	0.000
751	1	64	ALA	CA	C	54.165	0.078
752	1	64	ALA	CB	C	18.534	0.073
753	1	64	ALA	N	N	117.714	0.016
754	1	65	ALA	H	H	7.893	0.000
755	1	65	ALA	HA	H	4.212	0.008
756	1	65	ALA	HB1	H	1.315	0.006
757	1	65	ALA	HB2	H	1.315	0.006
758	1	65	ALA	HB3	H	1.315	0.006
759	1	65	ALA	C	C	179.662	0.000
760	1	65	ALA	CA	C	54.068	0.002
761	1	65	ALA	CB	C	19.938	0.063
762	1	65	ALA	N	N	117.264	0.014
763	1	66	MET	H	H	8.274	0.002
764	1	66	MET	HA	H	4.491	0.000
765	1	66	MET	HB2	H	1.925	0.000
766	1	66	MET	HB3	H	1.618	0.000
767	1	66	MET	HG2	H	2.505	0.000
768	1	66	MET	HG3	H	2.589	0.000
769	1	66	MET	CA	C	54.118	0.007
770	1	66	MET	CB	C	32.561	0.032
771	1	66	MET	CG	C	32.595	0.005
772	1	66	MET	N	N	111.672	0.014
773	1	67	ASN	H	H	7.258	0.001
774	1	67	ASN	HA	H	4.306	0.000
775	1	67	ASN	HB2	H	2.971	0.000
776	1	67	ASN	HB3	H	2.883	0.006
777	1	67	ASN	C	C	176.629	0.000
778	1	67	ASN	CA	C	56.334	0.010
779	1	67	ASN	CB	C	38.532	0.004
780	1	67	ASN	N	N	115.636	0.017
781	1	68	GLY	H	H	8.641	0.001
782	1	68	GLY	HA2	H	4.204	0.003
783	1	68	GLY	HA3	H	3.712	0.000
784	1	68	GLY	C	C	173.639	0.000
785	1	68	GLY	CA	C	45.845	0.012
786	1	68	GLY	N	N	116.467	0.011
787	1	69	ARG	H	H	7.787	0.000
788	1	69	ARG	HA	H	4.150	0.000
789	1	69	ARG	HB2	H	1.772	0.000
790	1	69	ARG	HB3	H	1.772	0.000
791	1	69	ARG	HG2	H	1.691	0.006
792	1	69	ARG	HG3	H	1.536	0.000
793	1	69	ARG	HD2	H	3.167	0.000
794	1	69	ARG	HD3	H	3.167	0.000
795	1	69	ARG	C	C	175.742	0.000
796	1	69	ARG	CA	C	56.047	0.024
797	1	69	ARG	CB	C	30.613	0.016
798	1	69	ARG	CG	C	27.458	0.048
799	1	69	ARG	CD	C	43.146	0.000
800	1	69	ARG	N	N	121.110	0.017
801	1	70	LYS	H	H	8.617	0.001
802	1	70	LYS	HA	H	4.361	0.000
803	1	70	LYS	HB2	H	1.697	0.000
804	1	70	LYS	HB3	H	1.472	0.004
805	1	70	LYS	HG2	H	1.061	0.000
806	1	70	LYS	HG3	H	1.061	0.000
807	1	70	LYS	HD2	H	1.561	0.001
808	1	70	LYS	HD3	H	1.561	0.001
809	1	70	LYS	HE2	H	2.963	0.000
810	1	70	LYS	C	C	176.354	0.000
811	1	70	LYS	CA	C	56.521	0.095
812	1	70	LYS	CB	C	32.907	0.012
813	1	70	LYS	CG	C	26.176	0.000
814	1	70	LYS	CD	C	29.642	0.088
815	1	70	LYS	CE	C	42.116	0.000
816	1	70	LYS	N	N	123.334	0.007
817	1	71	ILE	H	H	8.480	0.001
818	1	71	ILE	HA	H	4.130	0.002
819	1	71	ILE	HB	H	1.728	0.003
820	1	71	ILE	HG12	H	1.449	0.000
821	1	71	ILE	HG13	H	0.901	0.000
822	1	71	ILE	HG21	H	0.746	0.000
823	1	71	ILE	HG22	H	0.746	0.000
824	1	71	ILE	HG23	H	0.746	0.000
825	1	71	ILE	HD11	H	0.708	0.000
826	1	71	ILE	HD12	H	0.708	0.000
827	1	71	ILE	HD13	H	0.708	0.000
828	1	71	ILE	C	C	175.807	0.000
829	1	71	ILE	CA	C	61.153	0.047
830	1	71	ILE	CB	C	39.548	0.025
831	1	71	ILE	CG1	C	26.411	0.001
832	1	71	ILE	CG2	C	17.465	0.007
833	1	71	ILE	CD1	C	13.277	0.016
834	1	71	ILE	N	N	125.970	0.042
835	1	72	MET	H	H	9.599	0.003
836	1	72	MET	HA	H	3.982	0.001
837	1	72	MET	HB2	H	2.282	0.015
838	1	72	MET	HB3	H	1.919	0.000
839	1	72	MET	HG2	H	2.390	0.001
840	1	72	MET	HG3	H	2.390	0.001
841	1	72	MET	C	C	176.365	0.000
842	1	72	MET	CA	C	56.303	0.056
843	1	72	MET	CB	C	29.676	0.013
844	1	72	MET	CG	C	33.242	0.070
845	1	72	MET	N	N	126.407	0.027
846	1	73	GLY	H	H	8.399	0.001
847	1	73	GLY	HA2	H	4.207	0.001
848	1	73	GLY	HA3	H	3.509	0.000
849	1	73	GLY	C	C	173.754	0.000
850	1	73	GLY	CA	C	45.606	0.018
851	1	73	GLY	N	N	101.918	0.019
852	1	74	LYS	H	H	7.448	0.001
853	1	74	LYS	HA	H	4.599	0.004
854	1	74	LYS	HB2	H	1.855	0.007
855	1	74	LYS	HB3	H	1.653	0.002
856	1	74	LYS	HG2	H	1.399	0.000
857	1	74	LYS	HG3	H	1.399	0.000
858	1	74	LYS	C	C	175.545	0.000
859	1	74	LYS	CA	C	55.502	0.034
860	1	74	LYS	CB	C	35.905	0.075
861	1	74	LYS	CG	C	25.019	0.001
862	1	74	LYS	CD	C	29.263	0.000
863	1	74	LYS	CE	C	41.491	0.000
864	1	74	LYS	N	N	120.651	0.020
865	1	75	GLU	H	H	9.000	0.001
866	1	75	GLU	HA	H	4.143	0.000
867	1	75	GLU	HB2	H	1.911	0.000
868	1	75	GLU	HB3	H	1.673	0.000
869	1	75	GLU	HG2	H	2.106	0.002
870	1	75	GLU	HG3	H	2.106	0.002
871	1	75	GLU	C	C	175.964	0.000
872	1	75	GLU	CA	C	56.679	0.013
873	1	75	GLU	CB	C	29.601	0.008
874	1	75	GLU	CG	C	36.733	0.034
875	1	75	GLU	N	N	126.243	0.019
876	1	76	VAL	H	H	8.512	0.001
877	1	76	VAL	HA	H	4.590	0.001
878	1	76	VAL	HB	H	2.229	0.000
879	1	76	VAL	HG11	H	0.989	0.000
880	1	76	VAL	HG12	H	0.989	0.000
881	1	76	VAL	HG13	H	0.989	0.000
882	1	76	VAL	HG21	H	1.049	0.001
883	1	76	VAL	HG22	H	1.049	0.001
884	1	76	VAL	HG23	H	1.049	0.001
885	1	76	VAL	C	C	175.316	0.000
886	1	76	VAL	CA	C	61.470	0.017
887	1	76	VAL	CB	C	33.042	0.026
888	1	76	VAL	CG1	C	23.218	0.000
889	1	76	VAL	CG2	C	20.213	0.052
890	1	76	VAL	N	N	123.519	0.019
891	1	77	LYS	H	H	7.885	0.001
892	1	77	LYS	HA	H	4.850	0.001
893	1	77	LYS	HB2	H	1.730	0.002
894	1	77	LYS	HB3	H	1.643	0.002
895	1	77	LYS	HG2	H	1.395	0.000
896	1	77	LYS	HG3	H	1.395	0.000
897	1	77	LYS	HD2	H	1.729	0.000
898	1	77	LYS	HD3	H	1.729	0.000
899	1	77	LYS	HE2	H	2.963	0.000
900	1	77	LYS	HE3	H	2.924	0.000
901	1	77	LYS	C	C	174.747	0.000
902	1	77	LYS	CA	C	54.428	0.011
903	1	77	LYS	CB	C	34.401	0.036
904	1	77	LYS	CG	C	24.842	0.000
905	1	77	LYS	CD	C	29.346	0.000
906	1	77	LYS	CE	C	42.309	0.001
907	1	77	LYS	N	N	124.330	0.019
908	1	78	VAL	H	H	8.615	0.001
909	1	78	VAL	HA	H	5.478	0.001
910	1	78	VAL	HB	H	1.782	0.000
911	1	78	VAL	HG11	H	1.013	0.000
912	1	78	VAL	HG12	H	1.013	0.000
913	1	78	VAL	HG13	H	1.013	0.000
914	1	78	VAL	HG21	H	1.033	0.000
915	1	78	VAL	HG22	H	1.033	0.000
916	1	78	VAL	HG23	H	1.033	0.000
917	1	78	VAL	C	C	174.045	0.000
918	1	78	VAL	CA	C	59.848	0.035
919	1	78	VAL	CB	C	34.360	0.001
920	1	78	VAL	CG1	C	24.342	0.000
921	1	78	VAL	CG2	C	22.878	0.000
922	1	78	VAL	N	N	124.535	0.027
923	1	79	ASN	H	H	8.958	0.001
924	1	79	ASN	HA	H	4.821	0.000
925	1	79	ASN	HB2	H	2.704	0.002
926	1	79	ASN	HB3	H	2.891	0.001
927	1	79	ASN	C	C	174.279	0.000
928	1	79	ASN	CA	C	51.663	0.011
929	1	79	ASN	CB	C	42.884	0.043
930	1	79	ASN	N	N	121.284	0.019
931	1	80	TRP	H	H	8.533	0.002
932	1	80	TRP	HA	H	4.802	0.001
933	1	80	TRP	HB2	H	3.480	0.001
934	1	80	TRP	HB3	H	3.038	0.001
935	1	80	TRP	HD1	H	7.358	0.000
936	1	80	TRP	HE1	H	10.162	0.000
937	1	80	TRP	C	C	177.304	0.000
938	1	80	TRP	CA	C	58.817	0.012
939	1	80	TRP	CB	C	30.185	0.013
940	1	80	TRP	CD1	C	124.843	0.000
941	1	80	TRP	N	N	121.348	0.019
942	1	81	ALA	H	H	8.717	0.000
943	1	81	ALA	HA	H	4.587	0.001
944	1	81	ALA	HB1	H	1.426	0.003
945	1	81	ALA	HB2	H	1.426	0.003
946	1	81	ALA	HB3	H	1.426	0.003
947	1	81	ALA	C	C	177.268	0.000
948	1	81	ALA	CA	C	52.505	0.025
949	1	81	ALA	CB	C	19.981	0.022
950	1	81	ALA	N	N	125.215	0.026
951	1	82	THR	H	H	8.375	0.001
952	1	82	THR	HA	H	4.430	0.008
953	1	82	THR	HB	H	4.162	0.000
954	1	82	THR	HG21	H	1.165	0.000
955	1	82	THR	HG22	H	1.165	0.000
956	1	82	THR	HG23	H	1.165	0.000
957	1	82	THR	C	C	174.362	0.000
958	1	82	THR	CA	C	61.375	0.020
959	1	82	THR	CB	C	69.980	0.002
960	1	82	THR	CG2	C	21.713	0.000
961	1	82	THR	N	N	114.200	0.014
962	1	83	THR	H	H	8.307	0.001
963	1	83	THR	HA	H	4.547	0.000
964	1	83	THR	HB	H	4.326	0.000
965	1	83	THR	HG21	H	1.176	0.000
966	1	83	THR	HG22	H	1.176	0.000
967	1	83	THR	HG23	H	1.176	0.000
968	1	83	THR	CA	C	59.852	0.005
969	1	83	THR	CB	C	69.833	0.000
970	1	83	THR	CG2	C	21.290	0.000
971	1	83	THR	N	N	118.979	0.027
972	1	84	PRO	HA	H	4.368	0.001
973	1	84	PRO	HB2	H	2.230	0.000
974	1	84	PRO	HB3	H	1.873	0.001
975	1	84	PRO	HG2	H	1.977	0.000
976	1	84	PRO	HG3	H	1.877	0.000
977	1	84	PRO	HD2	H	3.787	0.000
978	1	84	PRO	HD3	H	3.652	0.000
979	1	84	PRO	C	C	177.178	0.000
980	1	84	PRO	CA	C	63.791	0.001
981	1	84	PRO	CB	C	32.150	0.077
982	1	84	PRO	CG	C	27.559	0.003
983	1	84	PRO	CD	C	51.065	0.035
984	1	85	SER	H	H	8.384	0.001
985	1	85	SER	HA	H	4.349	0.000
986	1	85	SER	HB2	H	3.827	0.000
987	1	85	SER	HB3	H	3.827	0.000
988	1	85	SER	C	C	174.878	0.000
989	1	85	SER	CA	C	58.716	0.011
990	1	85	SER	CB	C	63.742	0.021
991	1	85	SER	N	N	116.057	0.016
992	1	86	SER	H	H	8.278	0.006
993	1	86	SER	HA	H	4.387	0.003
994	1	86	SER	HB2	H	3.843	0.000
995	1	86	SER	HB3	H	3.843	0.000
996	1	86	SER	C	C	174.473	0.000
997	1	86	SER	CA	C	58.581	0.008
998	1	86	SER	CB	C	63.882	0.002
999	1	86	SER	N	N	117.533	0.083
1000	1	87	GLN	H	H	8.244	0.002
1001	1	87	GLN	HA	H	4.290	0.000
1002	1	87	GLN	HB2	H	2.061	0.000
1003	1	87	GLN	HB3	H	1.907	0.000
1004	1	87	GLN	HG2	H	2.299	0.005
1005	1	87	GLN	HG3	H	2.299	0.005
1006	1	87	GLN	C	C	175.758	0.000
1007	1	87	GLN	CA	C	55.797	0.000
1008	1	87	GLN	CB	C	29.480	0.007
1009	1	87	GLN	CG	C	33.859	0.057
1010	1	87	GLN	N	N	121.948	0.019
1011	1	88	LYS	H	H	8.261	0.002
1012	1	88	LYS	HA	H	4.262	0.000
1013	1	88	LYS	HB2	H	1.798	0.000
1014	1	88	LYS	HB3	H	1.726	0.000
1015	1	88	LYS	HG2	H	1.396	0.000
1016	1	88	LYS	HG3	H	1.396	0.000
1017	1	88	LYS	HD2	H	1.643	0.000
1018	1	88	LYS	HD3	H	1.643	0.000
1019	1	88	LYS	HE2	H	2.961	0.000
1020	1	88	LYS	HE3	H	2.961	0.000
1021	1	88	LYS	C	C	176.355	0.000
1022	1	88	LYS	CA	C	56.213	0.007
1023	1	88	LYS	CB	C	33.011	0.001
1024	1	88	LYS	CG	C	24.734	0.000
1025	1	88	LYS	CD	C	29.284	0.000
1026	1	88	LYS	CE	C	42.247	0.000
1027	1	88	LYS	N	N	123.190	0.001
1028	1	89	LYS	H	H	8.418	0.017
1029	1	89	LYS	HA	H	4.325	0.000
1030	1	89	LYS	HB2	H	1.810	0.000
1031	1	89	LYS	HB3	H	1.721	0.000
1032	1	89	LYS	HG2	H	1.398	0.000
1033	1	89	LYS	HG3	H	1.398	0.000
1034	1	89	LYS	HD2	H	1.641	0.000
1035	1	89	LYS	HD3	H	1.641	0.000
1036	1	89	LYS	HE2	H	2.961	0.000
1037	1	89	LYS	HE3	H	2.961	0.000
1038	1	89	LYS	C	C	176.232	0.000
1039	1	89	LYS	CA	C	56.140	0.002
1040	1	89	LYS	CB	C	33.317	0.008
1041	1	89	LYS	CG	C	24.699	0.000
1042	1	89	LYS	CD	C	29.212	0.006
1043	1	89	LYS	CE	C	42.297	0.001
1044	1	89	LYS	N	N	123.472	0.021
1045	1	90	ASP	H	H	8.432	0.001
1046	1	90	ASP	HA	H	4.645	0.000
1047	1	90	ASP	HB2	H	2.708	0.000
1048	1	90	ASP	HB3	H	2.640	0.000
1049	1	90	ASP	C	C	176.348	0.000
1050	1	90	ASP	CA	C	54.497	0.004
1051	1	90	ASP	CB	C	41.199	0.000
1052	1	90	ASP	N	N	121.907	0.020
1053	1	91	THR	H	H	8.071	0.002
1054	1	91	THR	HA	H	4.384	0.000
1055	1	91	THR	HB	H	4.330	0.000
1056	1	91	THR	HG21	H	1.170	0.000
1057	1	91	THR	HG22	H	1.170	0.000
1058	1	91	THR	HG23	H	1.170	0.000
1059	1	91	THR	C	C	173.934	0.000
1060	1	91	THR	CA	C	61.431	0.027
1061	1	91	THR	CB	C	69.877	0.126
1062	1	91	THR	CG2	C	21.574	0.000
1063	1	91	THR	N	N	113.556	0.014
1064	1	92	SER	H	H	8.018	0.002
1065	1	92	SER	HA	H	4.225	0.000
1066	1	92	SER	HB2	H	3.839	0.000
1067	1	92	SER	HB3	H	3.839	0.000
1068	1	92	SER	CA	C	60.300	0.009
1069	1	92	SER	CB	C	64.766	0.004
1070	1	92	SER	N	N	123.566	0.003

LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.763 ppm	external	indirect	0.2514495
1H	water	protons	4.773 ppm	external	direct	1.0
15N	water	protons	115.586 ppm	external	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.763 ppm	external	indirect	0.2514495
1H	water	protons	4.773 ppm	external	direct	1.0
15N	water	protons	115.586 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.763 ppm	external	indirect	0.2514495
1H	water	protons	4.773 ppm	external	direct	1.0
15N	water	protons	115.586 ppm	external	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.763 ppm	external	indirect	0.2514495
1H	water	protons	4.773 ppm	external	direct	1.0
15N	water	protons	115.586 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 5O2V, Strand ID: A Detail

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Release date

2017-05-30

Citation

Segmental, Domain-Selective Perdeuteration and Small-Angle Neutron Scattering for Structural Analysis of Multi-Domain Proteins
Sonntag, M., Jagtap, P., Simon, B., Appavou, M.S., Geerlof, A., Stehle, R., Gabel, F., Hennig, J., Sattler, M.
Angew. Chem Int Ed Engl. (2017), 56, 9322-9325, PubMed 28636238 , DOI 10.1002/anie.201702904 , Abstract