BMRB: 34689

Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide

Authors

Ashkinadze, D., Kadavath, H., Chi, C., Friedmann, M., Strotz, D., Kumari, P., Minges, M., Cadalbert, R., Koenigl, S., Guentert, P., Voegeli, B., Riek, R.

Assembly

Tyrosine-protein phosphatase non-receptor type 13 (E.C.3.1.3.48)

Entity

1. Tyrosine-protein phosphatase non-receptor type 13 (E.C.3.1.3.48) (polymer, Thiol state: not present), 96 monomers, 10006.14 Da Detail

PKPGDIFEVE LAKNDNSLGI SVTGGVNTSV RHGGIYVKAV IPQGAAESDG RIHKGDRVLA VNGVSLEGAT HKQAVETLRN TGQVVHLLLE KGQSPT

Formula weight

10006.14 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 587, ¹³C: 252, ¹⁵N: 92 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	PRO	HA	H	4.450	0.003
2	1	1	PRO	HB2	H	1.444	0.004
3	1	1	PRO	HB3	H	2.063	0.002
4	1	1	PRO	HG2	H	1.345	0.015
5	1	1	PRO	HG3	H	1.307	0.019
6	1	1	PRO	HD2	H	3.328	0.023
7	1	1	PRO	HD3	H	3.301	0.012
8	1	1	PRO	CA	C	63.105	0.039
9	1	1	PRO	CB	C	32.078	0.073
10	1	1	PRO	CG	C	26.440	0.060
11	1	1	PRO	CD	C	49.678	0.030
12	1	2	LYS	H	H	8.927	0.002
13	1	2	LYS	HA	H	4.570	0.002
14	1	2	LYS	HB2	H	1.682	0.007
15	1	2	LYS	HB3	H	1.739	0.001
16	1	2	LYS	HG2	H	1.475	0.003
17	1	2	LYS	CA	C	53.600	0.013
18	1	2	LYS	CB	C	31.330	0.037
19	1	2	LYS	CG	C	24.216	0.009
20	1	2	LYS	N	N	124.763	0.022
21	1	3	PRO	HA	H	3.931	0.002
22	1	3	PRO	HB2	H	2.077	0.004
23	1	3	PRO	HB3	H	1.826	0.072
24	1	3	PRO	HG2	H	1.977	0.001
25	1	3	PRO	HG3	H	2.130	0.002
26	1	3	PRO	HD2	H	3.518	0.005
27	1	3	PRO	HD3	H	3.769	0.004
28	1	3	PRO	CA	C	64.702	0.061
29	1	3	PRO	CB	C	31.601	0.017
30	1	3	PRO	CG	C	27.838	0.028
31	1	3	PRO	CD	C	50.133	0.012
32	1	4	GLY	H	H	8.995	0.001
33	1	4	GLY	HA2	H	4.315	0.176
34	1	4	GLY	HA3	H	3.731	0.006
35	1	4	GLY	CA	C	45.072	0.060
36	1	4	GLY	N	N	113.769	0.014
37	1	5	ASP	H	H	8.468	0.004
38	1	5	ASP	HA	H	4.644	0.004
39	1	5	ASP	HB2	H	2.953	0.007
40	1	5	ASP	HB3	H	2.659	0.013
41	1	5	ASP	CB	C	41.456	0.033
42	1	5	ASP	N	N	121.842	0.018
43	1	6	ILE	H	H	8.347	0.002
44	1	6	ILE	HA	H	5.340	0.002
45	1	6	ILE	HB	H	1.751	0.002
46	1	6	ILE	HG12	H	1.597	0.002
47	1	6	ILE	HG13	H	1.199	0.124
48	1	6	ILE	HG21	H	0.814	0.003
49	1	6	ILE	HG22	H	0.814	0.003
50	1	6	ILE	HG23	H	0.814	0.003
51	1	6	ILE	HD11	H	0.788	0.010
52	1	6	ILE	HD12	H	0.788	0.010
53	1	6	ILE	HD13	H	0.788	0.010
54	1	6	ILE	CA	C	59.506	0.066
55	1	6	ILE	CB	C	38.267	0.041
56	1	6	ILE	CG1	C	27.551	0.025
57	1	6	ILE	CG2	C	17.663	0.013
58	1	6	ILE	CD1	C	12.161	0.030
59	1	6	ILE	N	N	121.418	0.017
60	1	7	PHE	H	H	9.495	0.001
61	1	7	PHE	HA	H	5.056	0.003
62	1	7	PHE	HB2	H	3.014	0.016
63	1	7	PHE	HD2	H	6.992	0.004
64	1	7	PHE	HE2	H	6.767	0.004
65	1	7	PHE	CA	C	55.521	0.049
66	1	7	PHE	CB	C	41.383	0.012
67	1	7	PHE	CD1	C	132.802	0.011
68	1	7	PHE	CE1	C	131.722	0.047
69	1	7	PHE	N	N	125.913	0.014
70	1	8	GLU	H	H	8.478	0.001
71	1	8	GLU	HA	H	5.194	0.003
72	1	8	GLU	HB3	H	1.848	0.013
73	1	8	GLU	HG2	H	2.125	0.003
74	1	8	GLU	CA	C	53.967	0.051
75	1	8	GLU	CB	C	33.444	0.013
76	1	8	GLU	CG	C	37.052	0.020
77	1	8	GLU	N	N	119.007	0.009
78	1	9	VAL	H	H	8.549	0.002
79	1	9	VAL	HA	H	4.096	0.001
80	1	9	VAL	HB	H	1.638	0.010
81	1	9	VAL	HG21	H	0.764	0.021
82	1	9	VAL	HG22	H	0.764	0.021
83	1	9	VAL	HG23	H	0.764	0.021
84	1	9	VAL	CA	C	61.084	0.019
85	1	9	VAL	CB	C	36.821	0.018
86	1	9	VAL	CG1	C	22.641	0.007
87	1	9	VAL	N	N	119.844	0.013
88	1	10	GLU	H	H	7.642	0.001
89	1	10	GLU	HA	H	5.016	0.013
90	1	10	GLU	HB2	H	1.801	0.003
91	1	10	GLU	CA	C	54.757	0.055
92	1	10	GLU	CB	C	37.139	0.021
93	1	10	GLU	N	N	126.060	0.066
94	1	11	LEU	H	H	8.802	0.005
95	1	11	LEU	HA	H	4.626	0.003
96	1	11	LEU	HB2	H	1.293	0.009
97	1	11	LEU	HB3	H	1.248	0.010
98	1	11	LEU	HD21	H	0.714	0.015
99	1	11	LEU	HD22	H	0.714	0.015
100	1	11	LEU	HD23	H	0.714	0.015
101	1	11	LEU	CB	C	45.951	0.030
102	1	11	LEU	CD1	C	24.924	0.061
103	1	11	LEU	N	N	126.063	0.014
104	1	12	ALA	H	H	8.446	0.003
105	1	12	ALA	HA	H	5.100	0.002
106	1	12	ALA	HB1	H	1.291	0.005
107	1	12	ALA	HB2	H	1.291	0.005
108	1	12	ALA	HB3	H	1.291	0.005
109	1	12	ALA	CB	C	19.001	0.050
110	1	12	ALA	N	N	126.283	0.052
111	1	13	LYS	H	H	8.559	0.004
112	1	13	LYS	HA	H	3.744	0.004
113	1	13	LYS	HB2	H	1.373	0.009
114	1	13	LYS	HB3	H	1.719	0.010
115	1	13	LYS	HG2	H	1.438	0.004
116	1	13	LYS	HD2	H	1.160	0.005
117	1	13	LYS	HD3	H	1.436	0.004
118	1	13	LYS	HE2	H	2.677	0.003
119	1	13	LYS	HE3	H	2.874	0.008
120	1	13	LYS	CA	C	57.983	0.024
121	1	13	LYS	CB	C	34.539	0.051
122	1	13	LYS	CG	C	27.059	0.032
123	1	13	LYS	CD	C	29.965	0.053
124	1	13	LYS	CE	C	42.368	0.081
125	1	13	LYS	N	N	120.036	0.050
126	1	14	ASN	H	H	8.062	0.001
127	1	14	ASN	HA	H	4.937	0.001
128	1	14	ASN	HB2	H	2.876	0.004
129	1	14	ASN	HB3	H	2.769	0.006
130	1	14	ASN	HD22	H	7.425	0.000
131	1	14	ASN	CB	C	40.770	0.013
132	1	14	ASN	N	N	117.449	0.044
133	1	15	ASP	HA	H	4.193	0.014
134	1	15	ASP	HB2	H	2.492	0.003
135	1	15	ASP	HB3	H	2.891	0.003
136	1	15	ASP	CA	C	55.608	0.060
137	1	15	ASP	CB	C	39.231	0.016
138	1	16	ASN	H	H	9.027	0.014
139	1	16	ASN	HA	H	4.164	0.005
140	1	16	ASN	HB2	H	2.750	0.001
141	1	16	ASN	HB3	H	3.119	0.006
142	1	16	ASN	HD21	H	6.912	0.002
143	1	16	ASN	HD22	H	7.581	0.003
144	1	16	ASN	CA	C	54.638	0.009
145	1	16	ASN	CB	C	38.354	0.012
146	1	16	ASN	N	N	110.232	0.035
147	1	16	ASN	ND2	N	113.071	0.223
148	1	17	SER	H	H	7.883	0.002
149	1	17	SER	HA	H	4.934	0.001
150	1	17	SER	HB2	H	3.821	0.000
151	1	17	SER	HB3	H	3.863	0.022
152	1	17	SER	CB	C	65.957	0.010
153	1	17	SER	N	N	113.137	0.013
154	1	18	LEU	HA	H	4.162	0.011
155	1	18	LEU	HB2	H	1.213	0.006
156	1	18	LEU	HB3	H	1.792	0.003
157	1	18	LEU	HG	H	1.665	0.002
158	1	18	LEU	HD11	H	0.773	0.019
159	1	18	LEU	HD12	H	0.773	0.019
160	1	18	LEU	HD13	H	0.773	0.019
161	1	18	LEU	HD21	H	0.665	0.018
162	1	18	LEU	HD22	H	0.665	0.018
163	1	18	LEU	HD23	H	0.665	0.018
164	1	18	LEU	CB	C	42.734	0.084
165	1	18	LEU	CG	C	26.915	0.195
166	1	18	LEU	CD1	C	25.544	0.063
167	1	18	LEU	CD2	C	23.607	0.023
168	1	19	GLY	H	H	9.314	0.001
169	1	19	GLY	HA2	H	3.916	0.004
170	1	19	GLY	HA3	H	4.228	0.021
171	1	19	GLY	CA	C	46.368	0.077
172	1	19	GLY	N	N	107.229	0.017
173	1	20	ILE	H	H	7.724	0.007
174	1	20	ILE	HA	H	5.000	0.004
175	1	20	ILE	HB	H	1.663	0.001
176	1	20	ILE	HG12	H	1.344	0.017
177	1	20	ILE	HG21	H	0.717	0.013
178	1	20	ILE	HG22	H	0.717	0.013
179	1	20	ILE	HG23	H	0.717	0.013
180	1	20	ILE	HD11	H	0.436	0.001
181	1	20	ILE	HD12	H	0.436	0.001
182	1	20	ILE	HD13	H	0.436	0.001
183	1	20	ILE	CA	C	59.493	0.068
184	1	20	ILE	CB	C	42.402	0.081
185	1	20	ILE	CG1	C	25.862	0.025
186	1	20	ILE	CG2	C	19.116	0.013
187	1	20	ILE	CD1	C	12.230	0.026
188	1	20	ILE	N	N	116.127	0.018
189	1	21	SER	H	H	8.814	0.002
190	1	21	SER	HA	H	5.549	0.003
191	1	21	SER	HB2	H	3.618	0.007
192	1	21	SER	CA	C	56.092	0.016
193	1	21	SER	CB	C	64.908	0.009
194	1	21	SER	N	N	117.861	0.020
195	1	22	VAL	H	H	9.383	0.003
196	1	22	VAL	HA	H	5.589	0.007
197	1	22	VAL	HB	H	2.006	0.007
198	1	22	VAL	HG11	H	0.472	0.012
199	1	22	VAL	HG12	H	0.472	0.012
200	1	22	VAL	HG13	H	0.472	0.012
201	1	22	VAL	HG21	H	0.595	0.004
202	1	22	VAL	HG22	H	0.595	0.004
203	1	22	VAL	HG23	H	0.595	0.004
204	1	22	VAL	CA	C	58.471	0.013
205	1	22	VAL	CB	C	35.479	0.016
206	1	22	VAL	CG1	C	16.185	0.024
207	1	22	VAL	CG2	C	17.425	0.031
208	1	22	VAL	N	N	116.458	0.011
209	1	23	THR	H	H	9.189	0.001
210	1	23	THR	HA	H	5.349	0.003
211	1	23	THR	HB	H	3.970	0.003
212	1	23	THR	HG21	H	1.159	0.003
213	1	23	THR	HG22	H	1.159	0.003
214	1	23	THR	HG23	H	1.159	0.003
215	1	23	THR	CA	C	59.048	0.141
216	1	23	THR	CB	C	72.278	0.033
217	1	23	THR	CG2	C	19.584	0.051
218	1	23	THR	N	N	115.578	0.023
219	1	24	GLY	H	H	8.764	0.002
220	1	24	GLY	HA3	H	4.093	0.005
221	1	24	GLY	CA	C	44.673	0.360
222	1	24	GLY	N	N	111.639	0.007
223	1	25	GLY	H	H	6.774	0.009
224	1	25	GLY	HA2	H	3.648	0.013
225	1	25	GLY	HA3	H	4.711	0.010
226	1	25	GLY	CA	C	43.270	0.033
227	1	25	GLY	N	N	104.916	0.022
228	1	26	VAL	H	H	8.496	0.004
229	1	26	VAL	HA	H	4.114	0.003
230	1	26	VAL	HB	H	2.148	0.004
231	1	26	VAL	HG11	H	0.942	0.003
232	1	26	VAL	HG12	H	0.942	0.003
233	1	26	VAL	HG13	H	0.942	0.003
234	1	26	VAL	HG21	H	0.850	0.002
235	1	26	VAL	HG22	H	0.850	0.002
236	1	26	VAL	HG23	H	0.850	0.002
237	1	26	VAL	CA	C	65.063	0.012
238	1	26	VAL	CB	C	31.389	0.012
239	1	26	VAL	CG1	C	21.268	0.056
240	1	26	VAL	CG2	C	19.407	0.062
241	1	26	VAL	N	N	117.164	0.024
242	1	27	ASN	H	H	9.092	0.005
243	1	27	ASN	HB2	H	2.753	0.003
244	1	27	ASN	HB3	H	3.149	0.006
245	1	27	ASN	HD21	H	7.213	0.276
246	1	27	ASN	HD22	H	7.776	0.163
247	1	27	ASN	CB	C	37.023	0.072
248	1	27	ASN	N	N	116.301	0.103
249	1	27	ASN	ND2	N	115.693	1.628
250	1	28	THR	H	H	8.676	0.005
251	1	28	THR	HA	H	4.781	0.028
252	1	28	THR	HB	H	4.524	0.002
253	1	28	THR	HG21	H	1.040	0.003
254	1	28	THR	HG22	H	1.040	0.003
255	1	28	THR	HG23	H	1.040	0.003
256	1	28	THR	CB	C	71.565	0.181
257	1	28	THR	N	N	113.436	0.049
258	1	29	SER	HA	H	4.566	0.018
259	1	29	SER	HB2	H	3.891	0.004
260	1	29	SER	HB3	H	4.025	0.003
261	1	29	SER	CA	C	58.200	0.040
262	1	29	SER	CB	C	64.037	0.278
263	1	30	VAL	H	H	7.554	0.004
264	1	30	VAL	HA	H	4.018	0.001
265	1	30	VAL	HB	H	2.187	0.001
266	1	30	VAL	HG11	H	1.012	0.029
267	1	30	VAL	HG12	H	1.012	0.029
268	1	30	VAL	HG13	H	1.012	0.029
269	1	30	VAL	HG21	H	1.151	0.005
270	1	30	VAL	HG22	H	1.151	0.005
271	1	30	VAL	HG23	H	1.151	0.005
272	1	30	VAL	CA	C	62.188	0.044
273	1	30	VAL	CB	C	32.129	0.027
274	1	30	VAL	CG1	C	21.169	0.024
275	1	30	VAL	CG2	C	20.732	0.198
276	1	30	VAL	N	N	118.191	0.013
277	1	31	ARG	H	H	8.555	0.007
278	1	31	ARG	HA	H	3.903	0.003
279	1	31	ARG	HB2	H	1.591	0.003
280	1	31	ARG	HB3	H	1.459	0.016
281	1	31	ARG	HG2	H	0.966	0.003
282	1	31	ARG	HG3	H	1.274	0.002
283	1	31	ARG	HD2	H	2.980	0.001
284	1	31	ARG	CA	C	58.415	0.017
285	1	31	ARG	CB	C	29.306	0.021
286	1	31	ARG	CG	C	26.294	0.067
287	1	31	ARG	CD	C	43.177	0.029
288	1	31	ARG	N	N	125.682	0.045
289	1	32	HIS	HA	H	4.507	0.006
290	1	32	HIS	HB2	H	3.295	0.008
291	1	32	HIS	HB3	H	3.376	0.002
292	1	32	HIS	HD2	H	6.977	0.001
293	1	32	HIS	CA	C	57.214	0.022
294	1	32	HIS	CB	C	28.861	0.029
295	1	33	GLY	H	H	8.519	0.005
296	1	33	GLY	HA2	H	3.640	0.005
297	1	33	GLY	HA3	H	3.872	0.005
298	1	33	GLY	CA	C	46.899	0.095
299	1	33	GLY	N	N	109.188	0.035
300	1	34	GLY	H	H	7.653	0.003
301	1	34	GLY	HA2	H	3.921	0.005
302	1	34	GLY	HA3	H	3.185	0.006
303	1	34	GLY	CA	C	44.499	0.018
304	1	34	GLY	N	N	104.439	0.008
305	1	35	ILE	H	H	8.318	0.006
306	1	35	ILE	HA	H	4.743	0.002
307	1	35	ILE	HB	H	2.066	0.003
308	1	35	ILE	HG12	H	1.006	0.009
309	1	35	ILE	HG13	H	1.663	0.011
310	1	35	ILE	HG21	H	0.435	0.017
311	1	35	ILE	HG22	H	0.435	0.017
312	1	35	ILE	HG23	H	0.435	0.017
313	1	35	ILE	HD11	H	0.490	0.084
314	1	35	ILE	HD12	H	0.490	0.084
315	1	35	ILE	HD13	H	0.490	0.084
316	1	35	ILE	CB	C	35.596	0.011
317	1	35	ILE	CG1	C	25.953	0.048
318	1	35	ILE	N	N	113.275	0.043
319	1	36	TYR	H	H	9.082	0.017
320	1	36	TYR	HA	H	5.267	0.002
321	1	36	TYR	HB2	H	2.481	0.002
322	1	36	TYR	HB3	H	2.640	0.002
323	1	36	TYR	HD2	H	6.915	0.038
324	1	36	TYR	HE2	H	6.817	0.016
325	1	36	TYR	CA	C	56.106	0.073
326	1	36	TYR	CB	C	42.407	0.027
327	1	36	TYR	CD1	C	134.205	0.034
328	1	36	TYR	N	N	123.065	0.017
329	1	37	VAL	H	H	9.143	0.036
330	1	37	VAL	HA	H	3.918	0.015
331	1	37	VAL	HB	H	2.255	0.003
332	1	37	VAL	HG11	H	0.586	0.019
333	1	37	VAL	HG12	H	0.586	0.019
334	1	37	VAL	HG13	H	0.586	0.019
335	1	37	VAL	HG21	H	0.602	0.010
336	1	37	VAL	HG22	H	0.602	0.010
337	1	37	VAL	HG23	H	0.602	0.010
338	1	37	VAL	CA	C	63.781	0.024
339	1	37	VAL	CB	C	31.337	0.027
340	1	37	VAL	CG1	C	21.232	0.063
341	1	37	VAL	CG2	C	21.392	0.033
342	1	37	VAL	N	N	120.259	0.022
343	1	38	LYS	H	H	9.628	0.004
344	1	38	LYS	HA	H	4.347	0.003
345	1	38	LYS	HB2	H	1.399	0.004
346	1	38	LYS	HB3	H	1.786	0.086
347	1	38	LYS	HG2	H	1.162	0.005
348	1	38	LYS	HE2	H	2.885	0.004
349	1	38	LYS	CA	C	56.212	0.098
350	1	38	LYS	CB	C	33.198	0.054
351	1	39	ALA	H	H	7.550	0.004
352	1	39	ALA	HA	H	4.467	0.001
353	1	39	ALA	HB1	H	1.249	0.007
354	1	39	ALA	HB2	H	1.249	0.007
355	1	39	ALA	HB3	H	1.249	0.007
356	1	39	ALA	CA	C	51.443	0.058
357	1	39	ALA	CB	C	22.004	0.053
358	1	39	ALA	N	N	117.135	0.020
359	1	40	VAL	H	H	8.709	0.001
360	1	40	VAL	HA	H	4.192	0.014
361	1	40	VAL	HB	H	1.958	0.009
362	1	40	VAL	HG11	H	0.748	0.010
363	1	40	VAL	HG12	H	0.748	0.010
364	1	40	VAL	HG13	H	0.748	0.010
365	1	40	VAL	HG21	H	0.707	0.009
366	1	40	VAL	HG22	H	0.707	0.009
367	1	40	VAL	HG23	H	0.707	0.009
368	1	40	VAL	CA	C	61.808	0.107
369	1	40	VAL	CB	C	31.838	0.077
370	1	40	VAL	CG1	C	21.524	0.048
371	1	40	VAL	CG2	C	20.534	0.049
372	1	40	VAL	N	N	120.990	0.029
373	1	41	ILE	H	H	7.779	0.005
374	1	41	ILE	HA	H	4.100	0.002
375	1	41	ILE	HB	H	1.545	0.021
376	1	41	ILE	HG12	H	1.060	0.008
377	1	41	ILE	HG13	H	1.329	0.005
378	1	41	ILE	HG21	H	0.895	0.018
379	1	41	ILE	HG22	H	0.895	0.018
380	1	41	ILE	HG23	H	0.895	0.018
381	1	41	ILE	HD11	H	0.680	0.006
382	1	41	ILE	HD12	H	0.680	0.006
383	1	41	ILE	HD13	H	0.680	0.006
384	1	41	ILE	CA	C	59.195	0.087
385	1	41	ILE	CB	C	38.103	0.022
386	1	41	ILE	CG1	C	27.572	0.036
387	1	41	ILE	CG2	C	15.982	0.016
388	1	41	ILE	CD1	C	11.075	0.019
389	1	41	ILE	N	N	129.315	0.008
390	1	42	PRO	HA	H	4.461	0.003
391	1	42	PRO	HB2	H	2.369	0.002
392	1	42	PRO	HB3	H	1.831	0.005
393	1	42	PRO	HG2	H	2.079	0.045
394	1	42	PRO	HG3	H	1.963	0.004
395	1	42	PRO	HD2	H	3.561	0.012
396	1	42	PRO	HD3	H	4.062	0.008
397	1	42	PRO	CA	C	64.415	0.010
398	1	42	PRO	CB	C	31.662	0.011
399	1	42	PRO	CG	C	27.656	0.095
400	1	42	PRO	CD	C	51.801	0.032
401	1	43	GLN	H	H	9.335	0.001
402	1	43	GLN	HA	H	3.825	0.002
403	1	43	GLN	HB2	H	2.237	0.032
404	1	43	GLN	HB3	H	2.305	0.007
405	1	43	GLN	CA	C	58.152	0.039
406	1	43	GLN	CB	C	35.114	0.025
407	1	43	GLN	N	N	116.681	0.011
408	1	44	GLY	H	H	7.698	0.004
409	1	44	GLY	HA2	H	4.290	0.004
410	1	44	GLY	HA3	H	3.890	0.006
411	1	44	GLY	CA	C	44.744	0.027
412	1	44	GLY	N	N	105.958	0.012
413	1	45	ALA	H	H	9.064	0.001
414	1	45	ALA	HA	H	4.025	0.014
415	1	45	ALA	HB1	H	1.516	0.003
416	1	45	ALA	HB2	H	1.516	0.003
417	1	45	ALA	HB3	H	1.516	0.003
418	1	45	ALA	CA	C	55.089	0.094
419	1	45	ALA	CB	C	18.093	0.012
420	1	45	ALA	N	N	121.547	0.011
421	1	46	ALA	H	H	8.029	0.004
422	1	46	ALA	HA	H	4.023	0.019
423	1	46	ALA	HB1	H	1.219	0.005
424	1	46	ALA	HB2	H	1.219	0.005
425	1	46	ALA	HB3	H	1.219	0.005
426	1	46	ALA	CA	C	54.933	0.024
427	1	46	ALA	CB	C	18.348	0.062
428	1	46	ALA	N	N	119.801	0.053
429	1	47	GLU	H	H	9.581	0.002
430	1	47	GLU	HA	H	3.765	0.003
431	1	47	GLU	HB2	H	1.945	0.006
432	1	47	GLU	HB3	H	2.079	0.012
433	1	47	GLU	CA	C	59.942	0.049
434	1	47	GLU	N	N	124.767	0.044
435	1	48	SER	H	H	7.944	0.002
436	1	48	SER	HA	H	4.084	0.003
437	1	48	SER	HB2	H	3.905	0.014
438	1	48	SER	CA	C	61.289	0.043
439	1	48	SER	CB	C	62.891	0.158
440	1	48	SER	N	N	113.637	0.020
441	1	49	ASP	H	H	7.663	0.002
442	1	49	ASP	HA	H	4.364	0.002
443	1	49	ASP	HB2	H	2.544	0.002
444	1	49	ASP	HB3	H	2.647	0.002
445	1	49	ASP	CA	C	57.193	0.036
446	1	49	ASP	CB	C	44.261	0.031
447	1	49	ASP	N	N	120.054	0.006
448	1	50	GLY	H	H	7.386	0.007
449	1	50	GLY	HA2	H	4.047	0.015
450	1	50	GLY	HA3	H	3.900	0.066
451	1	50	GLY	CA	C	46.444	0.013
452	1	50	GLY	N	N	102.951	0.016
453	1	51	ARG	H	H	7.907	0.004
454	1	51	ARG	HA	H	4.300	0.014
455	1	51	ARG	HB2	H	1.767	0.003
456	1	51	ARG	HB3	H	2.023	0.006
457	1	51	ARG	HG2	H	1.678	0.016
458	1	51	ARG	HG3	H	1.885	0.136
459	1	51	ARG	HD2	H	3.142	0.006
460	1	51	ARG	HD3	H	3.391	0.002
461	1	51	ARG	HE	H	8.881	0.003
462	1	51	ARG	CA	C	57.974	0.064
463	1	51	ARG	CB	C	33.224	0.063
464	1	51	ARG	CG	C	33.119	0.000
465	1	51	ARG	CD	C	44.002	0.029
466	1	51	ARG	N	N	117.726	0.099
467	1	52	ILE	H	H	8.289	0.003
468	1	52	ILE	HA	H	4.178	0.002
469	1	52	ILE	HB	H	1.352	0.009
470	1	52	ILE	HG12	H	0.848	0.016
471	1	52	ILE	HG13	H	1.711	0.005
472	1	52	ILE	HG21	H	0.731	0.006
473	1	52	ILE	HG22	H	0.731	0.006
474	1	52	ILE	HG23	H	0.731	0.006
475	1	52	ILE	HD11	H	0.706	0.021
476	1	52	ILE	HD12	H	0.706	0.021
477	1	52	ILE	HD13	H	0.706	0.021
478	1	52	ILE	CA	C	61.458	0.061
479	1	52	ILE	CB	C	39.556	0.014
480	1	52	ILE	CG1	C	28.251	0.070
481	1	52	ILE	CG2	C	17.915	0.019
482	1	52	ILE	CD1	C	14.391	0.015
483	1	52	ILE	N	N	120.410	0.033
484	1	53	HIS	H	H	9.048	0.001
485	1	53	HIS	HA	H	4.770	0.012
486	1	53	HIS	HB2	H	2.885	0.003
487	1	53	HIS	HB3	H	3.246	0.003
488	1	53	HIS	CB	C	33.788	0.025
489	1	53	HIS	N	N	123.649	0.016
490	1	54	LYS	H	H	8.604	0.009
491	1	54	LYS	HA	H	3.639	0.001
492	1	54	LYS	HB2	H	1.744	0.023
493	1	54	LYS	HB3	H	1.659	0.005
494	1	54	LYS	HG2	H	1.478	0.004
495	1	54	LYS	HG3	H	1.291	0.004
496	1	54	LYS	HE2	H	3.032	0.006
497	1	54	LYS	CA	C	58.170	0.031
498	1	54	LYS	CB	C	32.291	0.042
499	1	54	LYS	CG	C	24.160	0.068
500	1	54	LYS	CE	C	42.059	0.003
501	1	54	LYS	N	N	120.394	0.012
502	1	55	GLY	H	H	9.276	0.032
503	1	55	GLY	HA2	H	3.645	0.006
504	1	55	GLY	HA3	H	4.623	0.000
505	1	55	GLY	CA	C	44.730	0.018
506	1	55	GLY	N	N	114.782	0.025
507	1	56	ASP	H	H	8.048	0.003
508	1	56	ASP	HA	H	4.874	0.004
509	1	56	ASP	HB2	H	2.571	0.003
510	1	56	ASP	HB3	H	2.687	0.002
511	1	56	ASP	CB	C	41.139	0.024
512	1	56	ASP	N	N	122.143	0.015
513	1	57	ARG	H	H	8.963	0.002
514	1	57	ARG	HA	H	4.724	0.001
515	1	57	ARG	HB2	H	1.654	0.003
516	1	57	ARG	HB3	H	1.801	0.006
517	1	57	ARG	HG2	H	0.738	0.031
518	1	57	ARG	HG3	H	0.868	0.002
519	1	57	ARG	HD2	H	2.794	0.002
520	1	57	ARG	HD3	H	2.992	0.002
521	1	57	ARG	HE	H	7.295	0.300
522	1	57	ARG	CB	C	33.890	0.036
523	1	57	ARG	CD	C	44.276	0.030
524	1	57	ARG	N	N	122.805	0.015
525	1	58	VAL	H	H	8.933	0.023
526	1	58	VAL	HA	H	3.845	0.011
527	1	58	VAL	HB	H	1.703	0.007
528	1	58	VAL	HG11	H	0.579	0.006
529	1	58	VAL	HG12	H	0.579	0.006
530	1	58	VAL	HG13	H	0.579	0.006
531	1	58	VAL	HG21	H	0.489	0.005
532	1	58	VAL	HG22	H	0.489	0.005
533	1	58	VAL	HG23	H	0.489	0.005
534	1	58	VAL	CA	C	62.252	0.029
535	1	58	VAL	CB	C	30.933	0.105
536	1	58	VAL	CG1	C	22.455	0.049
537	1	58	VAL	CG2	C	19.545	0.048
538	1	58	VAL	N	N	126.424	0.013
539	1	59	LEU	H	H	9.257	0.002
540	1	59	LEU	HA	H	4.342	0.017
541	1	59	LEU	HB2	H	1.390	0.017
542	1	59	LEU	HB3	H	1.383	0.012
543	1	59	LEU	HG	H	1.395	0.005
544	1	59	LEU	HD11	H	0.702	0.007
545	1	59	LEU	HD12	H	0.702	0.007
546	1	59	LEU	HD13	H	0.702	0.007
547	1	59	LEU	HD21	H	0.614	0.012
548	1	59	LEU	HD22	H	0.614	0.012
549	1	59	LEU	HD23	H	0.614	0.012
550	1	59	LEU	CA	C	55.996	0.026
551	1	59	LEU	CB	C	43.031	0.019
552	1	59	LEU	CG	C	26.888	0.061
553	1	59	LEU	CD1	C	25.813	0.026
554	1	59	LEU	CD2	C	21.503	0.058
555	1	59	LEU	N	N	127.229	0.014
556	1	60	ALA	H	H	7.712	0.003
557	1	60	ALA	HA	H	4.953	0.004
558	1	60	ALA	HB1	H	1.053	0.011
559	1	60	ALA	HB2	H	1.053	0.011
560	1	60	ALA	HB3	H	1.053	0.011
561	1	60	ALA	CA	C	52.104	0.024
562	1	60	ALA	CB	C	21.941	0.035
563	1	60	ALA	N	N	118.808	0.006
564	1	61	VAL	H	H	8.360	0.003
565	1	61	VAL	HA	H	4.512	0.003
566	1	61	VAL	HB	H	1.700	0.059
567	1	61	VAL	HG21	H	0.680	0.023
568	1	61	VAL	HG22	H	0.680	0.023
569	1	61	VAL	HG23	H	0.680	0.023
570	1	61	VAL	CA	C	60.166	0.057
571	1	61	VAL	CB	C	34.078	0.037
572	1	61	VAL	CG1	C	20.578	0.137
573	1	61	VAL	N	N	119.885	0.017
574	1	62	ASN	H	H	10.397	0.002
575	1	62	ASN	HA	H	4.527	0.002
576	1	62	ASN	HB2	H	3.044	0.056
577	1	62	ASN	HB3	H	3.125	0.009
578	1	62	ASN	HD21	H	7.302	0.003
579	1	62	ASN	HD22	H	7.811	0.123
580	1	62	ASN	CA	C	54.194	0.015
581	1	62	ASN	CB	C	36.889	0.038
582	1	62	ASN	N	N	128.987	0.025
583	1	62	ASN	ND2	N	113.072	0.020
584	1	63	GLY	H	H	9.050	0.002
585	1	63	GLY	HA2	H	3.488	0.001
586	1	63	GLY	HA3	H	4.037	0.003
587	1	63	GLY	CA	C	45.124	0.024
588	1	63	GLY	N	N	103.228	0.024
589	1	64	VAL	H	H	8.030	0.017
590	1	64	VAL	HA	H	3.951	0.029
591	1	64	VAL	HB	H	2.175	0.006
592	1	64	VAL	HG11	H	0.870	0.000
593	1	64	VAL	HG12	H	0.870	0.000
594	1	64	VAL	HG13	H	0.870	0.000
595	1	64	VAL	HG21	H	0.874	0.018
596	1	64	VAL	HG22	H	0.874	0.018
597	1	64	VAL	HG23	H	0.874	0.018
598	1	64	VAL	CA	C	62.144	0.038
599	1	64	VAL	CB	C	31.586	0.043
600	1	64	VAL	CG1	C	20.850	0.079
601	1	64	VAL	N	N	123.695	0.015
602	1	65	SER	H	H	8.654	0.002
603	1	65	SER	HA	H	4.310	0.002
604	1	65	SER	HB2	H	3.793	0.005
605	1	65	SER	HB3	H	4.015	0.003
606	1	65	SER	CA	C	58.270	0.050
607	1	65	SER	CB	C	63.715	0.204
608	1	65	SER	N	N	121.059	0.035
609	1	66	LEU	H	H	8.143	0.002
610	1	66	LEU	HA	H	4.387	0.005
611	1	66	LEU	HB2	H	1.612	0.005
612	1	66	LEU	HB3	H	1.431	0.053
613	1	66	LEU	HD11	H	0.606	0.024
614	1	66	LEU	HD12	H	0.606	0.024
615	1	66	LEU	HD13	H	0.606	0.024
616	1	66	LEU	HD21	H	0.677	0.003
617	1	66	LEU	HD22	H	0.677	0.003
618	1	66	LEU	HD23	H	0.677	0.003
619	1	66	LEU	CA	C	53.995	0.017
620	1	66	LEU	CB	C	40.953	0.020
621	1	66	LEU	CD1	C	25.408	0.113
622	1	66	LEU	CD2	C	22.301	0.030
623	1	66	LEU	N	N	124.890	0.022
624	1	67	GLU	H	H	8.233	0.004
625	1	67	GLU	HA	H	3.988	0.001
626	1	67	GLU	HB2	H	1.893	0.021
627	1	67	GLU	HB3	H	1.838	0.007
628	1	67	GLU	HG2	H	2.146	0.002
629	1	67	GLU	CA	C	58.398	0.058
630	1	67	GLU	CB	C	28.904	0.020
631	1	67	GLU	CG	C	35.717	0.018
632	1	67	GLU	N	N	122.856	0.018
633	1	68	GLY	H	H	9.102	0.002
634	1	68	GLY	HA2	H	3.605	0.004
635	1	68	GLY	HA3	H	4.164	0.004
636	1	68	GLY	CA	C	45.371	0.034
637	1	68	GLY	N	N	115.809	0.023
638	1	69	ALA	H	H	7.923	0.003
639	1	69	ALA	HA	H	4.475	0.002
640	1	69	ALA	HB1	H	1.398	0.005
641	1	69	ALA	HB2	H	1.398	0.005
642	1	69	ALA	HB3	H	1.398	0.005
643	1	69	ALA	CA	C	52.701	0.097
644	1	69	ALA	CB	C	19.320	0.014
645	1	69	ALA	N	N	122.370	0.020
646	1	70	THR	H	H	8.293	0.003
647	1	70	THR	HA	H	4.426	0.001
648	1	70	THR	HB	H	4.666	0.003
649	1	70	THR	HG21	H	1.287	0.005
650	1	70	THR	HG22	H	1.287	0.005
651	1	70	THR	HG23	H	1.287	0.005
652	1	70	THR	CA	C	61.216	0.051
653	1	70	THR	CG2	C	21.865	0.017
654	1	70	THR	N	N	112.453	0.018
655	1	71	HIS	H	H	9.180	0.002
656	1	71	HIS	HA	H	3.929	0.001
657	1	71	HIS	HB2	H	3.502	0.004
658	1	71	HIS	HB3	H	3.180	0.006
659	1	71	HIS	CA	C	62.076	0.020
660	1	71	HIS	CB	C	28.484	0.026
661	1	71	HIS	N	N	121.410	0.018
662	1	72	LYS	H	H	8.699	0.001
663	1	72	LYS	HA	H	3.847	0.012
664	1	72	LYS	HB2	H	1.923	0.003
665	1	72	LYS	HB3	H	1.661	0.056
666	1	72	LYS	HG2	H	1.349	0.009
667	1	72	LYS	HG3	H	1.501	0.001
668	1	72	LYS	HE2	H	2.980	0.001
669	1	72	LYS	CA	C	59.658	0.035
670	1	72	LYS	CB	C	33.092	0.007
671	1	72	LYS	CG	C	24.879	0.019
672	1	72	LYS	CE	C	42.095	0.005
673	1	72	LYS	N	N	115.540	0.015
674	1	73	GLN	H	H	7.582	0.002
675	1	73	GLN	HA	H	3.992	0.003
676	1	73	GLN	HB2	H	2.184	0.008
677	1	73	GLN	HB3	H	1.952	0.007
678	1	73	GLN	HG2	H	2.364	0.001
679	1	73	GLN	HE21	H	6.779	0.001
680	1	73	GLN	HE22	H	7.447	0.001
681	1	73	GLN	CA	C	58.341	0.029
682	1	73	GLN	CB	C	28.493	0.058
683	1	73	GLN	CG	C	33.965	0.017
684	1	73	GLN	N	N	117.295	0.012
685	1	73	GLN	NE2	N	111.081	0.030
686	1	74	ALA	H	H	8.545	0.005
687	1	74	ALA	HA	H	3.669	0.515
688	1	74	ALA	HB1	H	1.273	0.018
689	1	74	ALA	HB2	H	1.273	0.018
690	1	74	ALA	HB3	H	1.273	0.018
691	1	74	ALA	CA	C	55.171	0.009
692	1	74	ALA	N	N	122.964	0.018
693	1	75	VAL	H	H	8.294	0.004
694	1	75	VAL	HA	H	3.157	0.002
695	1	75	VAL	HB	H	1.887	0.002
696	1	75	VAL	HG11	H	0.418	0.005
697	1	75	VAL	HG12	H	0.418	0.005
698	1	75	VAL	HG13	H	0.418	0.005
699	1	75	VAL	HG21	H	0.849	0.019
700	1	75	VAL	HG22	H	0.849	0.019
701	1	75	VAL	HG23	H	0.849	0.019
702	1	75	VAL	CA	C	67.537	0.043
703	1	75	VAL	CB	C	31.258	0.056
704	1	75	VAL	CG1	C	23.341	0.016
705	1	75	VAL	N	N	118.287	0.038
706	1	76	GLU	H	H	8.256	0.003
707	1	76	GLU	HA	H	3.882	0.005
708	1	76	GLU	HB2	H	2.065	0.007
709	1	76	GLU	HB3	H	1.971	0.005
710	1	76	GLU	HG2	H	2.234	0.004
711	1	76	GLU	HG3	H	2.371	0.002
712	1	76	GLU	CA	C	59.806	0.058
713	1	76	GLU	CB	C	28.778	0.063
714	1	76	GLU	CG	C	36.678	0.048
715	1	76	GLU	N	N	119.436	0.015
716	1	77	THR	H	H	7.975	0.005
717	1	77	THR	HA	H	3.829	0.019
718	1	77	THR	HB	H	4.199	0.010
719	1	77	THR	HG21	H	1.010	0.003
720	1	77	THR	HG22	H	1.010	0.003
721	1	77	THR	HG23	H	1.010	0.003
722	1	77	THR	CA	C	67.045	0.067
723	1	77	THR	CB	C	68.341	0.074
724	1	77	THR	CG2	C	21.134	0.029
725	1	77	THR	N	N	116.270	0.019
726	1	78	LEU	H	H	8.010	0.017
727	1	78	LEU	HA	H	3.757	0.009
728	1	78	LEU	HB2	H	2.045	0.005
729	1	78	LEU	HB3	H	1.098	0.115
730	1	78	LEU	HG	H	1.490	0.016
731	1	78	LEU	HD11	H	0.629	0.031
732	1	78	LEU	HD12	H	0.629	0.031
733	1	78	LEU	HD13	H	0.629	0.031
734	1	78	LEU	HD21	H	0.768	0.039
735	1	78	LEU	HD22	H	0.768	0.039
736	1	78	LEU	HD23	H	0.768	0.039
737	1	78	LEU	CA	C	58.612	0.040
738	1	78	LEU	CB	C	44.482	2.843
739	1	78	LEU	CG	C	28.150	0.134
740	1	78	LEU	CD1	C	25.184	0.107
741	1	78	LEU	CD2	C	27.096	0.040
742	1	78	LEU	N	N	120.092	0.017
743	1	79	ARG	H	H	8.566	0.007
744	1	79	ARG	HA	H	4.346	0.004
745	1	79	ARG	HB2	H	1.904	0.030
746	1	79	ARG	HG2	H	1.681	0.025
747	1	79	ARG	HG3	H	1.721	0.036
748	1	79	ARG	HD2	H	3.095	0.036
749	1	79	ARG	HD3	H	3.109	0.036
750	1	79	ARG	CA	C	58.649	0.048
751	1	79	ARG	CB	C	30.708	0.019
752	1	79	ARG	CG	C	27.241	0.050
753	1	79	ARG	CD	C	43.876	0.041
754	1	79	ARG	N	N	118.501	0.011
755	1	80	ASN	H	H	7.982	0.005
756	1	80	ASN	HA	H	4.943	0.002
757	1	80	ASN	HB2	H	2.841	0.066
758	1	80	ASN	HB3	H	2.860	0.065
759	1	80	ASN	HD21	H	6.870	0.003
760	1	80	ASN	HD22	H	7.642	0.002
761	1	80	ASN	CA	C	52.833	0.000
762	1	80	ASN	CB	C	36.781	0.020
763	1	80	ASN	N	N	120.325	0.057
764	1	80	ASN	ND2	N	112.416	0.036
765	1	81	THR	H	H	7.556	0.013
766	1	81	THR	HA	H	4.410	0.001
767	1	81	THR	HB	H	4.275	0.003
768	1	81	THR	HG21	H	1.201	0.007
769	1	81	THR	HG22	H	1.201	0.007
770	1	81	THR	HG23	H	1.201	0.007
771	1	81	THR	CA	C	59.832	0.073
772	1	81	THR	CB	C	72.605	0.055
773	1	81	THR	CG2	C	22.318	0.019
774	1	81	THR	N	N	110.101	0.200
775	1	82	GLY	H	H	8.358	0.005
776	1	82	GLY	HA2	H	3.755	0.003
777	1	82	GLY	HA3	H	4.318	0.002
778	1	82	GLY	CA	C	44.132	0.191
779	1	82	GLY	N	N	109.232	0.009
780	1	83	GLN	H	H	8.145	0.001
781	1	83	GLN	HA	H	3.905	0.008
782	1	83	GLN	HB2	H	2.012	0.003
783	1	83	GLN	HB3	H	2.096	0.010
784	1	83	GLN	HG2	H	2.431	0.003
785	1	83	GLN	HE21	H	6.941	0.001
786	1	83	GLN	HE22	H	7.455	0.002
787	1	83	GLN	CA	C	58.383	0.036
788	1	83	GLN	CB	C	28.790	0.026
789	1	83	GLN	CG	C	33.913	0.023
790	1	83	GLN	N	N	116.463	0.044
791	1	83	GLN	NE2	N	112.707	0.032
792	1	84	VAL	H	H	7.696	0.002
793	1	84	VAL	HA	H	4.633	0.007
794	1	84	VAL	HB	H	1.796	0.000
795	1	84	VAL	HG11	H	0.661	0.012
796	1	84	VAL	HG12	H	0.661	0.012
797	1	84	VAL	HG13	H	0.661	0.012
798	1	84	VAL	HG21	H	0.833	0.011
799	1	84	VAL	HG22	H	0.833	0.011
800	1	84	VAL	HG23	H	0.833	0.011
801	1	84	VAL	CB	C	33.101	0.004
802	1	84	VAL	CG1	C	21.033	0.028
803	1	84	VAL	CG2	C	20.998	0.033
804	1	84	VAL	N	N	116.194	0.025
805	1	85	VAL	H	H	9.008	0.002
806	1	85	VAL	HA	H	4.418	0.002
807	1	85	VAL	HB	H	1.797	0.005
808	1	85	VAL	HG11	H	0.825	0.014
809	1	85	VAL	HG12	H	0.825	0.014
810	1	85	VAL	HG13	H	0.825	0.014
811	1	85	VAL	HG21	H	0.872	0.011
812	1	85	VAL	HG22	H	0.872	0.011
813	1	85	VAL	HG23	H	0.872	0.011
814	1	85	VAL	CA	C	61.011	0.093
815	1	85	VAL	CB	C	35.086	0.018
816	1	85	VAL	CG1	C	22.251	0.047
817	1	85	VAL	CG2	C	22.591	0.049
818	1	85	VAL	N	N	128.287	0.011
819	1	86	HIS	H	H	8.727	0.005
820	1	86	HIS	HA	H	4.961	0.010
821	1	86	HIS	HB2	H	3.101	0.009
822	1	86	HIS	HD2	H	6.989	0.004
823	1	86	HIS	CA	C	55.760	0.102
824	1	86	HIS	CB	C	31.192	0.017
825	1	86	HIS	N	N	126.099	0.011
826	1	87	LEU	H	H	8.996	0.003
827	1	87	LEU	HA	H	4.951	0.003
828	1	87	LEU	HB2	H	0.973	0.001
829	1	87	LEU	HB3	H	1.594	0.004
830	1	87	LEU	HG	H	1.430	0.002
831	1	87	LEU	HD11	H	0.586	0.007
832	1	87	LEU	HD12	H	0.586	0.007
833	1	87	LEU	HD13	H	0.586	0.007
834	1	87	LEU	HD21	H	0.690	0.016
835	1	87	LEU	HD22	H	0.690	0.016
836	1	87	LEU	HD23	H	0.690	0.016
837	1	87	LEU	CB	C	45.188	0.012
838	1	87	LEU	CG	C	26.498	0.162
839	1	87	LEU	CD1	C	25.639	0.000
840	1	87	LEU	CD2	C	24.777	0.029
841	1	87	LEU	N	N	126.671	0.031
842	1	88	LEU	H	H	7.949	0.002
843	1	88	LEU	HA	H	4.699	0.003
844	1	88	LEU	HB2	H	1.729	0.004
845	1	88	LEU	HB3	H	1.225	0.011
846	1	88	LEU	HG	H	1.254	0.005
847	1	88	LEU	HD21	H	0.783	0.013
848	1	88	LEU	HD22	H	0.783	0.013
849	1	88	LEU	HD23	H	0.783	0.013
850	1	88	LEU	CB	C	45.393	0.017
851	1	88	LEU	CD1	C	23.820	0.036
852	1	88	LEU	N	N	124.446	0.107
853	1	89	LEU	H	H	8.924	0.001
854	1	89	LEU	HA	H	5.290	0.007
855	1	89	LEU	HB2	H	0.182	0.005
856	1	89	LEU	HB3	H	0.947	0.006
857	1	89	LEU	HG	H	1.141	0.004
858	1	89	LEU	HD11	H	0.370	0.010
859	1	89	LEU	HD12	H	0.370	0.010
860	1	89	LEU	HD13	H	0.370	0.010
861	1	89	LEU	HD21	H	0.599	0.002
862	1	89	LEU	HD22	H	0.599	0.002
863	1	89	LEU	HD23	H	0.599	0.002
864	1	89	LEU	CA	C	54.141	0.039
865	1	89	LEU	CB	C	45.953	0.025
866	1	89	LEU	CG	C	27.667	0.131
867	1	89	LEU	CD1	C	27.364	0.068
868	1	89	LEU	CD2	C	27.003	0.057
869	1	89	LEU	N	N	127.389	0.010
870	1	90	GLU	H	H	8.846	0.004
871	1	90	GLU	HA	H	5.037	0.003
872	1	90	GLU	HB2	H	1.790	0.003
873	1	90	GLU	HB3	H	1.986	0.008
874	1	90	GLU	HG2	H	1.903	0.008
875	1	90	GLU	HG3	H	2.009	0.009
876	1	90	GLU	CA	C	53.797	0.032
877	1	90	GLU	CB	C	33.825	0.036
878	1	90	GLU	CG	C	36.516	0.063
879	1	90	GLU	N	N	119.067	0.023
880	1	91	LYS	H	H	9.355	0.002
881	1	91	LYS	HA	H	4.396	0.005
882	1	91	LYS	HB2	H	1.596	0.007
883	1	91	LYS	HB3	H	2.313	0.008
884	1	91	LYS	HG2	H	1.164	0.005
885	1	91	LYS	HG3	H	1.610	0.006
886	1	91	LYS	HD2	H	1.850	0.002
887	1	91	LYS	HD3	H	1.337	0.133
888	1	91	LYS	HE2	H	2.704	0.004
889	1	91	LYS	CA	C	56.154	0.077
890	1	91	LYS	CB	C	31.900	0.027
891	1	91	LYS	CG	C	23.222	0.030
892	1	91	LYS	CD	C	28.816	0.033
893	1	91	LYS	CE	C	41.718	0.046
894	1	91	LYS	N	N	129.243	0.015
895	1	92	GLY	H	H	9.644	0.002
896	1	92	GLY	HA2	H	4.340	0.002
897	1	92	GLY	HA3	H	3.778	0.001
898	1	92	GLY	CA	C	45.240	0.016
899	1	92	GLY	N	N	117.798	0.012
900	1	93	GLN	H	H	8.239	0.003
901	1	93	GLN	HA	H	4.240	0.003
902	1	93	GLN	HB2	H	1.888	0.005
903	1	93	GLN	HB3	H	2.110	0.003
904	1	93	GLN	HG2	H	2.357	0.004
905	1	93	GLN	CA	C	55.539	0.018
906	1	93	GLN	CB	C	29.551	0.011
907	1	93	GLN	CG	C	33.687	0.033
908	1	93	GLN	N	N	116.841	0.004
909	1	94	SER	HA	H	4.645	0.001
910	1	94	SER	HB2	H	3.768	0.046
911	1	94	SER	HB3	H	3.760	0.001
912	1	94	SER	CB	C	63.389	0.011
913	1	95	PRO	HA	H	4.456	0.003
914	1	95	PRO	HB2	H	1.941	0.000
915	1	95	PRO	HB3	H	2.196	0.002
916	1	95	PRO	HG2	H	1.951	0.002
917	1	95	PRO	HD2	H	3.746	0.005
918	1	95	PRO	HD3	H	3.683	0.006
919	1	95	PRO	CA	C	63.653	0.104
920	1	95	PRO	CB	C	31.773	0.024
921	1	95	PRO	CG	C	27.045	0.010
922	1	95	PRO	CD	C	50.753	0.016
923	1	96	THR	H	H	7.700	0.001
924	1	96	THR	HA	H	4.051	0.000
925	1	96	THR	HB	H	4.138	0.001
926	1	96	THR	HG21	H	1.075	0.001
927	1	96	THR	HG22	H	1.075	0.001
928	1	96	THR	HG23	H	1.075	0.001
929	1	96	THR	CA	C	63.338	0.032
930	1	96	THR	CB	C	70.954	0.015
931	1	96	THR	N	N	118.973	0.022

Release date

2022-01-17

Citation

Atomic resolution protein allostery from the multi-state structure of a PDZ domain
Ashkinadze, D., Kadavath, H., Pokharna, A., Chi, C.N., Friedmann, M., Strotz, D., Kumari, P., Minges, M., Cadalbert, R., Konigl, S., Guentert, P., Vogeli, B., Riek, R.
Nat. Commun. (2022), 13, 6232-6232, PubMed , DOI: