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BMRB: 51726

8BXJ

1H, 13C and 15N assignments and NOESY peak lists of silver ion-bound SilF from Salmonella typhimurium plasmid pMG101

Authors

Monneau, Y.R., Hologne, M., Walker, O.

Assembly

silver ion-bound SilF

Entity

1. silver ion-bound SilF, entity 1 (polymer, Thiol state: not present), 100 monomers, 10699.15 Da Detail

GAMGMLKHIS HGDMNAASDA SVQQVIKGTG IVKDIDMNSK KITISHEAIP AVGWPAMTMR FTFVNADDAI NALKTGNHVD FSFIQQGNIS LLKSINVTQS

2. silver ion-bound SilF, entity AG (non-polymer), 107.868 Da

Total weight

10807.019 Da

Max. entity weight

10699.15 Da

Entity Connection

metal coordination 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:HIS46:HE2	2:AG1:AG
2	metal coordination	sing	1:MET57:SG	2:AG1:AG
3	metal coordination	sing	1:MET59:SG	2:AG1:AG

Source organism

pMG101

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 532, ¹³C: 266, ¹⁵N: 75 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	25	VAL	H	H	8.173	0.019	1
2	1	25	VAL	HA	H	4.005	0.005	1
3	1	25	VAL	HB	H	1.824	0.009	1
4	1	25	VAL	HG11	H	0.718	0.002	2
5	1	25	VAL	HG12	H	0.718	0.002	2
6	1	25	VAL	HG13	H	0.718	0.002	2
7	1	25	VAL	HG21	H	0.796	0.003	2
8	1	25	VAL	HG22	H	0.796	0.003	2
9	1	25	VAL	HG23	H	0.796	0.003	2
10	1	25	VAL	CA	C	62.295	0.08	1
11	1	25	VAL	CB	C	32.024	0.065	1
12	1	25	VAL	CG1	C	21.953	0.034	2
13	1	25	VAL	CG2	C	21.03	0.047	2
14	1	25	VAL	N	N	123.346	0.107	1
15	1	26	ILE	H	H	8.867	0.002	1
16	1	26	ILE	HA	H	3.809	0.009	1
17	1	26	ILE	HB	H	0.048	0.003	1
18	1	26	ILE	HG12	H	0.741	0.003	2
19	1	26	ILE	HG13	H	0.859	0.004	2
20	1	26	ILE	HG21	H	0.442	0.004	1
21	1	26	ILE	HG22	H	0.442	0.004	1
22	1	26	ILE	HG23	H	0.442	0.004	1
23	1	26	ILE	HD11	H	0.27	0.006	1
24	1	26	ILE	HD12	H	0.27	0.006	1
25	1	26	ILE	HD13	H	0.27	0.006	1
26	1	26	ILE	CA	C	59.122	0.061	1
27	1	26	ILE	CB	C	37.2	0.093	1
28	1	26	ILE	CG1	C	26.545	0.091	1
29	1	26	ILE	CG2	C	20.654	0.047	1
30	1	26	ILE	CD1	C	12.437	0.066	1
31	1	26	ILE	N	N	130.907	0.025	1
32	1	27	LYS	H	H	7.89	0.002	1
33	1	27	LYS	HA	H	4.789	0.007	1
34	1	27	LYS	HB2	H	1.499	0.005	2
35	1	27	LYS	HB3	H	1.759	0.003	2
36	1	27	LYS	HG2	H	1.165	0.002	2
37	1	27	LYS	HG3	H	1.311	0.002	2
38	1	27	LYS	HD2	H	1.517	0.004	2
39	1	27	LYS	HD3	H	1.517	0.004	2
40	1	27	LYS	HE2	H	2.815	0	2
41	1	27	LYS	HE3	H	2.815	0	2
42	1	27	LYS	CA	C	55.187	0.061	1
43	1	27	LYS	CB	C	34.503	0.082	1
44	1	27	LYS	CG	C	25.174	0.115	1
45	1	27	LYS	CD	C	29.194	0.06	1
46	1	27	LYS	CE	C	42.133	0.055	1
47	1	27	LYS	N	N	124.39	0.031	1
48	1	28	GLY	H	H	7.997	0.01	1
49	1	28	GLY	HA2	H	4.35	0.006	2
50	1	28	GLY	HA3	H	2.803	0.018	2
51	1	28	GLY	CA	C	44.241	0.076	1
52	1	28	GLY	N	N	106.446	0.043	1
53	1	29	THR	H	H	8.704	0.002	1
54	1	29	THR	HA	H	5.452	0.005	1
55	1	29	THR	HB	H	4.09	0.009	1
56	1	29	THR	HG21	H	1.234	0.004	1
57	1	29	THR	HG22	H	1.234	0.004	1
58	1	29	THR	HG23	H	1.234	0.004	1
59	1	29	THR	CA	C	60.253	0.068	1
60	1	29	THR	CB	C	71.996	0.064	1
61	1	29	THR	CG2	C	20.635	0.096	1
62	1	29	THR	N	N	114.145	0.092	1
63	1	30	GLY	H	H	9.045	0.003	1
64	1	30	GLY	HA2	H	4.585	0.011	2
65	1	30	GLY	HA3	H	4.386	0.008	2
66	1	30	GLY	CA	C	47.472	0.118	1
67	1	30	GLY	N	N	110.18	0.057	1
68	1	31	ILE	H	H	8.226	0.014	1
69	1	31	ILE	HA	H	4.908	0.006	1
70	1	31	ILE	HB	H	1.532	0.005	1
71	1	31	ILE	HG12	H	0.633	0.013	2
72	1	31	ILE	HG13	H	1.415	0.007	2
73	1	31	ILE	HG21	H	0.69	0.003	1
74	1	31	ILE	HG22	H	0.69	0.003	1
75	1	31	ILE	HG23	H	0.69	0.003	1
76	1	31	ILE	HD11	H	0.742	0.006	1
77	1	31	ILE	HD12	H	0.742	0.006	1
78	1	31	ILE	HD13	H	0.742	0.006	1
79	1	31	ILE	CA	C	58.924	0.075	1
80	1	31	ILE	CB	C	41.86	0.099	1
81	1	31	ILE	CG1	C	27.567	0.085	1
82	1	31	ILE	CG2	C	16.847	0.079	1
83	1	31	ILE	CD1	C	12.786	0.059	1
84	1	31	ILE	N	N	120.265	0.105	1
85	1	32	VAL	H	H	8.81	0.013	1
86	1	32	VAL	HA	H	3.741	0.009	1
87	1	32	VAL	HB	H	2.213	0.002	1
88	1	32	VAL	HG11	H	0.721	0.003	2
89	1	32	VAL	HG12	H	0.721	0.003	2
90	1	32	VAL	HG13	H	0.721	0.003	2
91	1	32	VAL	HG21	H	0.903	0.003	2
92	1	32	VAL	HG22	H	0.903	0.003	2
93	1	32	VAL	HG23	H	0.903	0.003	2
94	1	32	VAL	CA	C	64.192	0.126	1
95	1	32	VAL	CB	C	32.128	0.086	1
96	1	32	VAL	CG1	C	22.11	0.094	2
97	1	32	VAL	CG2	C	23.748	0.159	2
98	1	32	VAL	N	N	126.592	0.038	1
99	1	33	LYS	H	H	9.132	0.003	1
100	1	33	LYS	HA	H	4.595	0.004	1
101	1	33	LYS	HB2	H	1.388	0.006	2
102	1	33	LYS	HB3	H	1.804	0	2
103	1	33	LYS	HG2	H	1.397	0.007	2
104	1	33	LYS	HG3	H	1.397	0.007	2
105	1	33	LYS	HE2	H	2.971	0	2
106	1	33	LYS	HE3	H	2.971	0	2
107	1	33	LYS	CA	C	54.735	0.095	1
108	1	33	LYS	CB	C	33.121	0.026	1
109	1	33	LYS	CG	C	24.052	0.067	1
110	1	33	LYS	CD	C	29.062	0	1
111	1	33	LYS	CE	C	42.018	0	1
112	1	33	LYS	N	N	128.598	0.026	1
113	1	34	ASP	H	H	7.571	0.005	1
114	1	34	ASP	HA	H	4.678	0.009	1
115	1	34	ASP	HB2	H	2.37	0.003	2
116	1	34	ASP	HB3	H	2.692	0.009	2
117	1	34	ASP	CA	C	54.592	0.065	1
118	1	34	ASP	CB	C	44.012	0.045	1
119	1	34	ASP	N	N	115.862	0.024	1
120	1	35	ILE	H	H	8.592	0.003	1
121	1	35	ILE	HA	H	4.221	0.006	1
122	1	35	ILE	HB	H	1.662	0.004	1
123	1	35	ILE	HG12	H	0.734	0.008	2
124	1	35	ILE	HG13	H	1.303	0.006	2
125	1	35	ILE	HG21	H	0.805	0.004	1
126	1	35	ILE	HG22	H	0.805	0.004	1
127	1	35	ILE	HG23	H	0.805	0.004	1
128	1	35	ILE	HD11	H	0.705	0.004	1
129	1	35	ILE	HD12	H	0.705	0.004	1
130	1	35	ILE	HD13	H	0.705	0.004	1
131	1	35	ILE	CA	C	62.2	0.086	1
132	1	35	ILE	CB	C	41.543	0.069	1
133	1	35	ILE	CG1	C	28.406	0.101	1
134	1	35	ILE	CG2	C	17.778	0.13	1
135	1	35	ILE	CD1	C	15.435	0.059	1
136	1	35	ILE	N	N	123.991	0.038	1
137	1	36	ASP	H	H	8.648	0.008	1
138	1	36	ASP	HA	H	5.029	0.005	1
139	1	36	ASP	HB2	H	2.538	0.01	2
140	1	36	ASP	HB3	H	2.995	0.003	2
141	1	36	ASP	CA	C	51.907	0.069	1
142	1	36	ASP	CB	C	41.569	0.059	1
143	1	36	ASP	N	N	126.844	0.028	1
144	1	37	MET	H	H	9.152	0.01	1
145	1	37	MET	HA	H	4.507	0.004	1
146	1	37	MET	HB2	H	2.161	0	2
147	1	37	MET	HB3	H	2.122	0.011	2
148	1	37	MET	HG2	H	2.833	0	2
149	1	37	MET	HG3	H	2.617	0.008	2
150	1	37	MET	HE1	H	2.053	0	1
151	1	37	MET	HE2	H	2.053	0	1
152	1	37	MET	HE3	H	2.053	0	1
153	1	37	MET	CA	C	56.271	0.062	1
154	1	37	MET	CB	C	30.91	0.089	1
155	1	37	MET	CG	C	32.41	0.09	1
156	1	37	MET	CE	C	16.866	0	1
157	1	37	MET	N	N	122.592	0.026	1
158	1	38	ASN	H	H	8.586	0.008	1
159	1	38	ASN	HA	H	4.557	0.007	1
160	1	38	ASN	HB2	H	2.86	0	2
161	1	38	ASN	HB3	H	2.955	0.002	2
162	1	38	ASN	CA	C	56.033	0.073	1
163	1	38	ASN	CB	C	38.566	0.065	1
164	1	38	ASN	N	N	117.699	0.031	1
165	1	39	SER	H	H	7.876	0.004	1
166	1	39	SER	HA	H	4.341	0.003	1
167	1	39	SER	HB2	H	3.624	0.004	2
168	1	39	SER	HB3	H	3.738	0.003	2
169	1	39	SER	CA	C	58.245	0.04	1
170	1	39	SER	CB	C	63.392	0.034	1
171	1	39	SER	N	N	113.211	0.057	1
172	1	40	LYS	H	H	7.401	0.001	1
173	1	40	LYS	HA	H	3.115	0.008	1
174	1	40	LYS	HB2	H	0.603	0.007	2
175	1	40	LYS	HB3	H	1.737	0.007	2
176	1	40	LYS	HG2	H	1.04	0.006	2
177	1	40	LYS	HG3	H	0.793	0.003	2
178	1	40	LYS	HD2	H	1.377	0.014	2
179	1	40	LYS	HD3	H	1.649	0.001	2
180	1	40	LYS	HE2	H	2.982	0.003	2
181	1	40	LYS	HE3	H	2.982	0.003	2
182	1	40	LYS	CA	C	57.501	0.105	1
183	1	40	LYS	CB	C	27.775	0.128	1
184	1	40	LYS	CG	C	25.163	0.095	1
185	1	40	LYS	CD	C	29.21	0.134	1
186	1	40	LYS	CE	C	42.667	0.091	1
187	1	40	LYS	N	N	118.102	0.023	1
188	1	41	LYS	H	H	7.762	0.003	1
189	1	41	LYS	HA	H	5.482	0.005	1
190	1	41	LYS	HB2	H	1.322	0.01	2
191	1	41	LYS	HB3	H	1.606	0.004	2
192	1	41	LYS	HG2	H	1.275	0.003	2
193	1	41	LYS	HG3	H	1.178	0.006	2
194	1	41	LYS	HD2	H	1.509	0.005	2
195	1	41	LYS	HD3	H	1.309	0.001	2
196	1	41	LYS	HE2	H	2.82	0.004	2
197	1	41	LYS	HE3	H	2.82	0.004	2
198	1	41	LYS	CA	C	53.378	0.074	1
199	1	41	LYS	CB	C	37.129	0.078	1
200	1	41	LYS	CG	C	24.513	0.074	1
201	1	41	LYS	CD	C	29.139	0.056	1
202	1	41	LYS	CE	C	42.394	0.108	1
203	1	41	LYS	N	N	113.755	0.041	1
204	1	42	ILE	H	H	9.541	0.005	1
205	1	42	ILE	HA	H	4.715	0.006	1
206	1	42	ILE	HB	H	1.667	0.008	1
207	1	42	ILE	HG12	H	1.666	0.012	2
208	1	42	ILE	HG13	H	1.089	0.005	2
209	1	42	ILE	HG21	H	0.829	0.002	1
210	1	42	ILE	HG22	H	0.829	0.002	1
211	1	42	ILE	HG23	H	0.829	0.002	1
212	1	42	ILE	HD11	H	0.613	0.003	1
213	1	42	ILE	HD12	H	0.613	0.003	1
214	1	42	ILE	HD13	H	0.613	0.003	1
215	1	42	ILE	CA	C	59.547	0.11	1
216	1	42	ILE	CB	C	41.267	0.115	1
217	1	42	ILE	CG1	C	27.742	0.08	1
218	1	42	ILE	CG2	C	17.45	0.067	1
219	1	42	ILE	CD1	C	13.847	0.114	1
220	1	42	ILE	N	N	123.631	0.019	1
221	1	43	THR	H	H	9.247	0.002	1
222	1	43	THR	HA	H	4.865	0.008	1
223	1	43	THR	HB	H	3.934	0.002	1
224	1	43	THR	HG21	H	0.893	0.004	1
225	1	43	THR	HG22	H	0.893	0.004	1
226	1	43	THR	HG23	H	0.893	0.004	1
227	1	43	THR	CA	C	62.723	0.068	1
228	1	43	THR	CB	C	67.972	0.033	1
229	1	43	THR	CG2	C	21.824	0.084	1
230	1	43	THR	N	N	126.6	0.023	1
231	1	44	ILE	H	H	9.191	0.004	1
232	1	44	ILE	HA	H	4.708	0.008	1
233	1	44	ILE	HB	H	1.547	0.007	1
234	1	44	ILE	HG12	H	0.339	0.011	2
235	1	44	ILE	HG13	H	1.503	0.007	2
236	1	44	ILE	HG21	H	0.413	0.002	1
237	1	44	ILE	HG22	H	0.413	0.002	1
238	1	44	ILE	HG23	H	0.413	0.002	1
239	1	44	ILE	HD11	H	-0.513	0.009	1
240	1	44	ILE	HD12	H	-0.513	0.009	1
241	1	44	ILE	HD13	H	-0.513	0.009	1
242	1	44	ILE	CA	C	60.057	0.126	1
243	1	44	ILE	CB	C	41.956	0.041	1
244	1	44	ILE	CG1	C	28.507	0.097	1
245	1	44	ILE	CG2	C	16.836	0.094	1
246	1	44	ILE	CD1	C	11.196	0.078	1
247	1	44	ILE	N	N	128.679	0.045	1
248	1	45	SER	H	H	8.963	0.002	1
249	1	45	SER	HA	H	5.257	0.004	1
250	1	45	SER	HB2	H	3.653	0.006	2
251	1	45	SER	HB3	H	3.963	0.005	2
252	1	45	SER	CA	C	56.758	0.043	1
253	1	45	SER	CB	C	62.499	0.039	1
254	1	45	SER	N	N	124.079	0.02	1
255	1	46	HIS	H	H	9.411	0.002	1
256	1	46	HIS	HA	H	6.06	0.008	1
257	1	46	HIS	HB2	H	3.905	0.006	2
258	1	46	HIS	HB3	H	2.979	0.013	2
259	1	46	HIS	HD2	H	6.985	0.003	1
260	1	46	HIS	HE1	H	7.994	0.164	1
261	1	46	HIS	CA	C	53.299	0.065	1
262	1	46	HIS	CB	C	33.497	0.119	1
263	1	46	HIS	CD2	C	129.477	0	1
264	1	46	HIS	CE1	C	141.182	0	1
265	1	46	HIS	N	N	125.935	0.021	1
266	1	47	GLU	H	H	8.482	0.003	1
267	1	47	GLU	HA	H	4.585	0.01	1
268	1	47	GLU	HB2	H	2.182	0.004	2
269	1	47	GLU	HB3	H	2.424	0.004	2
270	1	47	GLU	HG2	H	2.419	0.004	2
271	1	47	GLU	HG3	H	2.522	0.003	2
272	1	47	GLU	CA	C	55.903	0.079	1
273	1	47	GLU	CB	C	30.333	0.067	1
274	1	47	GLU	CG	C	36.837	0.129	1
275	1	47	GLU	N	N	121.134	0.029	1
276	1	48	ALA	H	H	9.542	0.007	1
277	1	48	ALA	HA	H	4.028	0.013	1
278	1	48	ALA	HB1	H	1.583	0.002	1
279	1	48	ALA	HB2	H	1.583	0.002	1
280	1	48	ALA	HB3	H	1.583	0.002	1
281	1	48	ALA	CA	C	54.715	0.062	1
282	1	48	ALA	CB	C	18.6	0.066	1
283	1	48	ALA	N	N	126.841	0.048	1
284	1	49	ILE	H	H	8.33	0.002	1
285	1	49	ILE	HA	H	4.756	0.007	1
286	1	49	ILE	HB	H	1.985	0.011	1
287	1	49	ILE	HG12	H	1.392	0.009	2
288	1	49	ILE	HG13	H	1.316	0.015	2
289	1	49	ILE	HG21	H	0.878	0.004	1
290	1	49	ILE	HG22	H	0.878	0.004	1
291	1	49	ILE	HG23	H	0.878	0.004	1
292	1	49	ILE	HD11	H	0.74	0.004	1
293	1	49	ILE	HD12	H	0.74	0.004	1
294	1	49	ILE	HD13	H	0.74	0.004	1
295	1	49	ILE	CA	C	59.067	0.077	1
296	1	49	ILE	CB	C	39.596	0.114	1
297	1	49	ILE	CG1	C	27.146	0.105	1
298	1	49	ILE	CG2	C	19.478	0.085	1
299	1	49	ILE	CD1	C	13.251	0.066	1
300	1	49	ILE	N	N	118.349	0.029	1
301	1	50	PRO	HA	H	4.412	0.004	1
302	1	50	PRO	HB2	H	2.002	0.003	2
303	1	50	PRO	HB3	H	2.407	0.005	2
304	1	50	PRO	HG2	H	2.021	0.007	2
305	1	50	PRO	HG3	H	2.11	0.006	2
306	1	50	PRO	HD2	H	4.02	0.005	2
307	1	50	PRO	HD3	H	3.465	0.01	2
308	1	50	PRO	CA	C	65.065	0.082	1
309	1	50	PRO	CB	C	31.84	0.109	1
310	1	50	PRO	CG	C	27.196	0.101	1
311	1	50	PRO	CD	C	51.25	0.092	1
312	1	51	ALA	H	H	8.794	0.004	1
313	1	51	ALA	HA	H	4.083	0.005	1
314	1	51	ALA	HB1	H	1.338	0.004	1
315	1	51	ALA	HB2	H	1.338	0.004	1
316	1	51	ALA	HB3	H	1.338	0.004	1
317	1	51	ALA	CA	C	55.254	0.076	1
318	1	51	ALA	CB	C	19.219	0.049	1
319	1	51	ALA	N	N	119.823	0.027	1
320	1	52	VAL	H	H	6.8	0.005	1
321	1	52	VAL	HA	H	4.473	0.004	1
322	1	52	VAL	HB	H	1.818	0.002	1
323	1	52	VAL	HG11	H	-0.315	0.005	2
324	1	52	VAL	HG12	H	-0.315	0.005	2
325	1	52	VAL	HG13	H	-0.315	0.005	2
326	1	52	VAL	HG21	H	0.393	0.007	2
327	1	52	VAL	HG22	H	0.393	0.007	2
328	1	52	VAL	HG23	H	0.393	0.007	2
329	1	52	VAL	CA	C	59.094	0.096	1
330	1	52	VAL	CB	C	32.051	0.072	1
331	1	52	VAL	CG1	C	17.218	0.066	2
332	1	52	VAL	CG2	C	21.517	0.095	2
333	1	52	VAL	N	N	104.641	0.04	1
334	1	53	GLY	H	H	7.7	0.003	1
335	1	53	GLY	HA2	H	3.886	0.007	2
336	1	53	GLY	HA3	H	4.035	0.038	2
337	1	53	GLY	CA	C	46.443	0.141	1
338	1	53	GLY	N	N	109.283	0.021	1
339	1	54	TRP	H	H	7.671	0.003	1
340	1	54	TRP	HA	H	5.633	0.007	1
341	1	54	TRP	HB2	H	3.217	0.009	2
342	1	54	TRP	HB3	H	3.633	0.004	2
343	1	54	TRP	HD1	H	7.12	0	1
344	1	54	TRP	HE1	H	10.379	0.001	1
345	1	54	TRP	HE3	H	7.506	0.003	1
346	1	54	TRP	HZ2	H	7.563	0.001	1
347	1	54	TRP	HZ3	H	6.837	0.003	1
348	1	54	TRP	HH2	H	7.292	0.002	1
349	1	54	TRP	CA	C	51.786	0.081	1
350	1	54	TRP	CB	C	30.997	0.051	1
351	1	54	TRP	CD1	C	125.206	0	1
352	1	54	TRP	CE3	C	116.237	0	1
353	1	54	TRP	CZ2	C	116.079	0	1
354	1	54	TRP	CZ3	C	119.96	0	1
355	1	54	TRP	CH2	C	125.534	0	1
356	1	54	TRP	N	N	118.965	0.036	1
357	1	54	TRP	NE1	N	129.635	0.019	1
358	1	55	PRO	HA	H	4.861	0.007	1
359	1	55	PRO	HB2	H	2.306	0.001	2
360	1	55	PRO	HB3	H	2.306	0.001	2
361	1	55	PRO	HG2	H	2.121	0.004	2
362	1	55	PRO	HG3	H	1.687	0.007	2
363	1	55	PRO	HD2	H	3.695	0.003	2
364	1	55	PRO	HD3	H	3.989	0.006	2
365	1	55	PRO	CA	C	62.067	0.081	1
366	1	55	PRO	CB	C	32.678	0.086	1
367	1	55	PRO	CG	C	25.959	0.102	1
368	1	55	PRO	CD	C	50.016	0.124	1
369	1	56	ALA	H	H	8.419	0.002	1
370	1	56	ALA	HA	H	4.121	0.004	1
371	1	56	ALA	HB1	H	1.393	0.001	1
372	1	56	ALA	HB2	H	1.393	0.001	1
373	1	56	ALA	HB3	H	1.393	0.001	1
374	1	56	ALA	CA	C	53.854	0.105	1
375	1	56	ALA	CB	C	18.134	0.032	1
376	1	56	ALA	N	N	119.781	0.035	1
377	1	57	MET	H	H	6.976	0.008	1
378	1	57	MET	HA	H	4.496	0.006	1
379	1	57	MET	HB2	H	1.525	0.004	2
380	1	57	MET	HB3	H	2.017	0.006	2
381	1	57	MET	HG2	H	2.374	0.007	2
382	1	57	MET	HG3	H	2.327	0.007	2
383	1	57	MET	HE1	H	1.832	0	1
384	1	57	MET	HE2	H	1.832	0	1
385	1	57	MET	HE3	H	1.832	0	1
386	1	57	MET	CA	C	54.685	0.067	1
387	1	57	MET	CB	C	38.36	0.112	1
388	1	57	MET	CG	C	32.43	0.134	1
389	1	57	MET	CE	C	18.834	0	1
390	1	57	MET	N	N	116.2	0.035	1
391	1	58	THR	H	H	8.638	0.003	1
392	1	58	THR	HA	H	4.902	0.005	1
393	1	58	THR	HB	H	3.863	0.013	1
394	1	58	THR	HG21	H	0.891	0.005	1
395	1	58	THR	HG22	H	0.891	0.005	1
396	1	58	THR	HG23	H	0.891	0.005	1
397	1	58	THR	CA	C	62.876	0.093	1
398	1	58	THR	CB	C	68.715	0.117	1
399	1	58	THR	CG2	C	21.927	0.073	1
400	1	58	THR	N	N	118.032	0.02	1
401	1	59	MET	H	H	8.679	0.004	1
402	1	59	MET	HA	H	4.604	0.005	1
403	1	59	MET	HB2	H	1.784	0.006	2
404	1	59	MET	HB3	H	1.657	0.004	2
405	1	59	MET	HG2	H	2.108	0.004	2
406	1	59	MET	HG3	H	2.267	0.006	2
407	1	59	MET	HE1	H	1.659	0	1
408	1	59	MET	HE2	H	1.659	0	1
409	1	59	MET	HE3	H	1.659	0	1
410	1	59	MET	CA	C	53.441	0.083	1
411	1	59	MET	CB	C	41.927	0.095	1
412	1	59	MET	CG	C	33.668	0.087	1
413	1	59	MET	CE	C	21.921	0	1
414	1	59	MET	N	N	127.43	0.029	1
415	1	60	ARG	H	H	8.616	0.003	1
416	1	60	ARG	HA	H	4.695	0.008	1
417	1	60	ARG	HB2	H	1.355	0.011	2
418	1	60	ARG	HB3	H	1.753	0.004	2
419	1	60	ARG	HG2	H	1.63	0.005	2
420	1	60	ARG	HG3	H	1.63	0.005	2
421	1	60	ARG	HD2	H	3.014	0.004	2
422	1	60	ARG	HD3	H	3.014	0.004	2
423	1	60	ARG	CA	C	56.511	0.091	1
424	1	60	ARG	CB	C	31.224	0.084	1
425	1	60	ARG	CG	C	27.539	0.079	1
426	1	60	ARG	CD	C	44.04	0.094	1
427	1	60	ARG	N	N	123.279	0.026	1
428	1	61	PHE	H	H	9.287	0.006	1
429	1	61	PHE	HA	H	4.665	0.001	1
430	1	61	PHE	HB2	H	2.809	0.004	2
431	1	61	PHE	HB3	H	2.809	0.004	2
432	1	61	PHE	HD1	H	6.875	0.002	3
433	1	61	PHE	HD2	H	6.875	0.002	3
434	1	61	PHE	HE1	H	6.3	0.001	3
435	1	61	PHE	HE2	H	6.3	0.001	3
436	1	61	PHE	HZ	H	6.812	0.004	1
437	1	61	PHE	CA	C	57.284	0.06	1
438	1	61	PHE	CB	C	41.563	0.11	1
439	1	61	PHE	CD1	C	132.42	0	3
440	1	61	PHE	CD2	C	132.42	0	3
441	1	61	PHE	CE1	C	130.394	0	3
442	1	61	PHE	CE2	C	130.394	0	3
443	1	61	PHE	CZ	C	128.733	0	1
444	1	61	PHE	N	N	123.632	0.03	1
445	1	62	THR	H	H	9.035	0.003	1
446	1	62	THR	HA	H	5.257	0.006	1
447	1	62	THR	HB	H	3.872	0.01	1
448	1	62	THR	HG21	H	1.21	0.007	1
449	1	62	THR	HG22	H	1.21	0.007	1
450	1	62	THR	HG23	H	1.21	0.007	1
451	1	62	THR	CA	C	62.55	0.079	1
452	1	62	THR	CB	C	71.442	0.1	1
453	1	62	THR	CG2	C	21.546	0.111	1
454	1	62	THR	N	N	119.832	0.024	1
455	1	63	PHE	H	H	7.996	0.004	1
456	1	63	PHE	HA	H	5.417	0.013	1
457	1	63	PHE	HB2	H	3.251	0.002	2
458	1	63	PHE	HB3	H	2.714	0.005	2
459	1	63	PHE	HD1	H	6.755	0.001	3
460	1	63	PHE	HD2	H	6.755	0.001	3
461	1	63	PHE	HE1	H	7.022	0.001	3
462	1	63	PHE	HE2	H	7.022	0.001	3
463	1	63	PHE	HZ	H	7.389	0.014	1
464	1	63	PHE	CA	C	54.89	0.11	1
465	1	63	PHE	CB	C	42.011	0.058	1
466	1	63	PHE	CD1	C	132.935	0	3
467	1	63	PHE	CD2	C	132.935	0	3
468	1	63	PHE	CE1	C	130.2	0	3
469	1	63	PHE	CE2	C	130.2	0	3
470	1	63	PHE	CZ	C	130.375	0	1
471	1	63	PHE	N	N	121.354	0.041	1
472	1	64	VAL	H	H	8.805	0.004	1
473	1	64	VAL	HA	H	4.001	0.005	1
474	1	64	VAL	HB	H	2.059	0.007	1
475	1	64	VAL	HG11	H	0.962	0.002	2
476	1	64	VAL	HG12	H	0.962	0.002	2
477	1	64	VAL	HG13	H	0.962	0.002	2
478	1	64	VAL	HG21	H	1.016	0.005	2
479	1	64	VAL	HG22	H	1.016	0.005	2
480	1	64	VAL	HG23	H	1.016	0.005	2
481	1	64	VAL	CA	C	64.458	0.05	1
482	1	64	VAL	CB	C	32.848	0.074	1
483	1	64	VAL	CG1	C	21.174	0.099	2
484	1	64	VAL	CG2	C	21.819	0.081	2
485	1	64	VAL	N	N	118.905	0.03	1
486	1	65	ASN	H	H	8.086	0.008	1
487	1	65	ASN	HA	H	5.002	0.007	1
488	1	65	ASN	HB2	H	2.737	0.007	2
489	1	65	ASN	HB3	H	2.737	0.007	2
490	1	65	ASN	CA	C	52.294	0.039	1
491	1	65	ASN	CB	C	40.978	0.095	1
492	1	65	ASN	N	N	116.552	0.085	1
493	1	66	ALA	H	H	9.163	0.004	1
494	1	66	ALA	HA	H	3.985	0.007	1
495	1	66	ALA	HB1	H	1.371	0.007	1
496	1	66	ALA	HB2	H	1.371	0.007	1
497	1	66	ALA	HB3	H	1.371	0.007	1
498	1	66	ALA	CA	C	52.309	0.048	1
499	1	66	ALA	CB	C	18.137	0.032	1
500	1	66	ALA	N	N	126.514	0.033	1
501	1	67	ASP	H	H	7.2	0.01	1
502	1	67	ASP	HA	H	4.596	0.004	1
503	1	67	ASP	HB2	H	2.644	0.003	2
504	1	67	ASP	HB3	H	3.086	0.009	2
505	1	67	ASP	CA	C	52.535	0.047	1
506	1	67	ASP	CB	C	41.66	0.132	1
507	1	67	ASP	N	N	122.624	0.026	1
508	1	68	ASP	H	H	8.348	0.004	1
509	1	68	ASP	HA	H	4.274	0.004	1
510	1	68	ASP	HB2	H	2.642	0.003	2
511	1	68	ASP	HB3	H	2.604	0.014	2
512	1	68	ASP	CA	C	57.633	0.047	1
513	1	68	ASP	CB	C	40.126	0.121	1
514	1	68	ASP	N	N	117.609	0.031	1
515	1	69	ALA	H	H	7.796	0.003	1
516	1	69	ALA	HA	H	4.092	0.004	1
517	1	69	ALA	HB1	H	1.504	0.004	1
518	1	69	ALA	HB2	H	1.504	0.004	1
519	1	69	ALA	HB3	H	1.504	0.004	1
520	1	69	ALA	CA	C	54.842	0.093	1
521	1	69	ALA	CB	C	18.581	0.057	1
522	1	69	ALA	N	N	122.013	0.035	1
523	1	70	ILE	H	H	7.979	0.002	1
524	1	70	ILE	HA	H	3.389	0.003	1
525	1	70	ILE	HB	H	1.42	0.007	1
526	1	70	ILE	HG12	H	0.76	0.014	2
527	1	70	ILE	HG13	H	1.206	0.004	2
528	1	70	ILE	HG21	H	0.09	0.007	1
529	1	70	ILE	HG22	H	0.09	0.007	1
530	1	70	ILE	HG23	H	0.09	0.007	1
531	1	70	ILE	HD11	H	0.216	0.006	1
532	1	70	ILE	HD12	H	0.216	0.006	1
533	1	70	ILE	HD13	H	0.216	0.006	1
534	1	70	ILE	CA	C	63.584	0.097	1
535	1	70	ILE	CB	C	37.405	0.095	1
536	1	70	ILE	CG1	C	28.993	0.086	1
537	1	70	ILE	CG2	C	16.671	0.081	1
538	1	70	ILE	CD1	C	11.222	0.078	1
539	1	70	ILE	N	N	118.248	0.023	1
540	1	71	ASN	H	H	8.325	0.011	1
541	1	71	ASN	HA	H	4.411	0.006	1
542	1	71	ASN	HB2	H	2.717	0.003	2
543	1	71	ASN	HB3	H	2.717	0.003	2
544	1	71	ASN	CA	C	55.222	0.066	1
545	1	71	ASN	CB	C	38.296	0.083	1
546	1	71	ASN	N	N	116.78	0.075	1
547	1	72	ALA	H	H	7.214	0.006	1
548	1	72	ALA	HA	H	4.366	0.002	1
549	1	72	ALA	HB1	H	1.448	0.002	1
550	1	72	ALA	HB2	H	1.448	0.002	1
551	1	72	ALA	HB3	H	1.448	0.002	1
552	1	72	ALA	CA	C	52.198	0.042	1
553	1	72	ALA	CB	C	19.598	0.057	1
554	1	72	ALA	N	N	119.111	0.068	1
555	1	73	LEU	H	H	7.182	0.002	1
556	1	73	LEU	HA	H	4.055	0.006	1
557	1	73	LEU	HB2	H	1.163	0.006	2
558	1	73	LEU	HB3	H	1.88	0.006	2
559	1	73	LEU	HD11	H	0.686	0.004	2
560	1	73	LEU	HD12	H	0.686	0.004	2
561	1	73	LEU	HD13	H	0.686	0.004	2
562	1	73	LEU	HD21	H	0.753	0.005	2
563	1	73	LEU	HD22	H	0.753	0.005	2
564	1	73	LEU	HD23	H	0.753	0.005	2
565	1	73	LEU	CA	C	55.596	0.064	1
566	1	73	LEU	CB	C	44.08	0.083	1
567	1	73	LEU	CD1	C	24.151	0.024	2
568	1	73	LEU	CD2	C	26.517	0.084	2
569	1	73	LEU	N	N	119.257	0.036	1
570	1	74	LYS	H	H	7.838	0.008	1
571	1	74	LYS	HA	H	4.599	0.005	1
572	1	74	LYS	HB2	H	1.553	0.003	2
573	1	74	LYS	HB3	H	1.833	0.005	2
574	1	74	LYS	HG2	H	1.44	0.01	2
575	1	74	LYS	HG3	H	1.482	0	2
576	1	74	LYS	HD2	H	1.682	0.002	2
577	1	74	LYS	HD3	H	1.682	0.002	2
578	1	74	LYS	HE2	H	2.99	0.008	2
579	1	74	LYS	HE3	H	2.99	0.008	2
580	1	74	LYS	CA	C	53.7	0.071	1
581	1	74	LYS	CB	C	36.051	0.109	1
582	1	74	LYS	CG	C	24.427	0.138	1
583	1	74	LYS	CD	C	28.957	0.109	1
584	1	74	LYS	CE	C	42.463	0.078	1
585	1	74	LYS	N	N	119.243	0.069	1
586	1	75	THR	H	H	8.574	0.002	1
587	1	75	THR	HA	H	3.532	0.007	1
588	1	75	THR	HB	H	4.026	0.004	1
589	1	75	THR	HG21	H	1.183	0.005	1
590	1	75	THR	HG22	H	1.183	0.005	1
591	1	75	THR	HG23	H	1.183	0.005	1
592	1	75	THR	CA	C	64.678	0.067	1
593	1	75	THR	CB	C	68.408	0.093	1
594	1	75	THR	CG2	C	22.551	0.043	1
595	1	75	THR	N	N	116.064	0.037	1
596	1	76	GLY	H	H	9.212	0.003	1
597	1	76	GLY	HA2	H	4.496	0.004	2
598	1	76	GLY	HA3	H	3.513	0.013	2
599	1	76	GLY	CA	C	44.67	0.09	1
600	1	76	GLY	N	N	113.74	0.04	1
601	1	77	ASN	H	H	7.955	0.003	1
602	1	77	ASN	HA	H	4.724	0.005	1
603	1	77	ASN	HB2	H	2.685	0.003	2
604	1	77	ASN	HB3	H	2.685	0.003	2
605	1	77	ASN	CA	C	54.15	0.041	1
606	1	77	ASN	CB	C	40.038	0.069	1
607	1	77	ASN	N	N	117.327	0.03	1
608	1	78	HIS	H	H	9.294	0.003	1
609	1	78	HIS	HA	H	5.199	0.006	1
610	1	78	HIS	HB2	H	3.281	0.005	2
611	1	78	HIS	HB3	H	3.232	0.008	2
612	1	78	HIS	HD2	H	7.333	0.027	1
613	1	78	HIS	HE1	H	8.151	0	1
614	1	78	HIS	CA	C	55.687	0.066	1
615	1	78	HIS	CB	C	29.454	0.091	1
616	1	78	HIS	CD2	C	120.902	0	1
617	1	78	HIS	CE1	C	138.201	0	1
618	1	78	HIS	N	N	123.445	0.202	1
619	1	79	VAL	H	H	9.142	0.005	1
620	1	79	VAL	HA	H	5.502	0.007	1
621	1	79	VAL	HB	H	2.058	0.005	1
622	1	79	VAL	HG11	H	0.687	0.002	2
623	1	79	VAL	HG12	H	0.687	0.002	2
624	1	79	VAL	HG13	H	0.687	0.002	2
625	1	79	VAL	HG21	H	0.606	0.007	2
626	1	79	VAL	HG22	H	0.606	0.007	2
627	1	79	VAL	HG23	H	0.606	0.007	2
628	1	79	VAL	CA	C	58.412	0.055	1
629	1	79	VAL	CB	C	36.068	0.094	1
630	1	79	VAL	CG1	C	23.072	0.103	2
631	1	79	VAL	CG2	C	17.9	0.05	2
632	1	79	VAL	N	N	115.278	0.154	1
633	1	80	ASP	H	H	8.682	0.003	1
634	1	80	ASP	HA	H	5.329	0.004	1
635	1	80	ASP	HB2	H	2.512	0.005	2
636	1	80	ASP	HB3	H	2.725	0.019	2
637	1	80	ASP	CA	C	53.249	0.089	1
638	1	80	ASP	CB	C	42.644	0.074	1
639	1	80	ASP	N	N	121.393	0.054	1
640	1	81	PHE	H	H	8.498	0.005	1
641	1	81	PHE	HA	H	5.386	0.013	1
642	1	81	PHE	HB2	H	2.7	0.007	2
643	1	81	PHE	HB3	H	3.175	0.002	2
644	1	81	PHE	HD1	H	6.534	0.003	3
645	1	81	PHE	HD2	H	6.534	0.003	3
646	1	81	PHE	HE1	H	6.516	0.001	3
647	1	81	PHE	HE2	H	6.516	0.001	3
648	1	81	PHE	HZ	H	6.5	0.001	1
649	1	81	PHE	CA	C	55.91	0.094	1
650	1	81	PHE	CB	C	41.661	0.12	1
651	1	81	PHE	CD1	C	131.598	0	3
652	1	81	PHE	CD2	C	131.598	0	3
653	1	81	PHE	CE1	C	130.523	0	3
654	1	81	PHE	CE2	C	130.523	0	3
655	1	81	PHE	CZ	C	127.381	0	1
656	1	81	PHE	N	N	118.16	0.036	1
657	1	82	SER	H	H	8.954	0.003	1
658	1	82	SER	HA	H	5.816	0.004	1
659	1	82	SER	HB2	H	3.622	0.003	2
660	1	82	SER	HB3	H	3.622	0.003	2
661	1	82	SER	CA	C	56.468	0.05	1
662	1	82	SER	CB	C	67.016	0.039	1
663	1	82	SER	N	N	114.56	0.021	1
664	1	83	PHE	H	H	9.674	0.002	1
665	1	83	PHE	HA	H	5.738	0.005	1
666	1	83	PHE	HB2	H	3.108	0.011	2
667	1	83	PHE	HB3	H	3.108	0.011	2
668	1	83	PHE	HD1	H	7.023	0.003	3
669	1	83	PHE	HD2	H	7.023	0.003	3
670	1	83	PHE	HE1	H	6.707	0.004	3
671	1	83	PHE	HE2	H	6.707	0.004	3
672	1	83	PHE	HZ	H	7.017	0	1
673	1	83	PHE	CA	C	56.384	0.073	1
674	1	83	PHE	CB	C	42.649	0.028	1
675	1	83	PHE	CD1	C	132.763	0	3
676	1	83	PHE	CD2	C	132.763	0	3
677	1	83	PHE	CE1	C	130.811	0	3
678	1	83	PHE	CE2	C	130.811	0	3
679	1	83	PHE	CZ	C	130.785	0	1
680	1	83	PHE	N	N	120.725	0.024	1
681	1	84	ILE	H	H	8.977	0.004	1
682	1	84	ILE	HA	H	4.711	0.005	1
683	1	84	ILE	HB	H	1.761	0.006	1
684	1	84	ILE	HG12	H	1.057	0.01	2
685	1	84	ILE	HG13	H	1.505	0.007	2
686	1	84	ILE	HG21	H	0.885	0.005	1
687	1	84	ILE	HG22	H	0.885	0.005	1
688	1	84	ILE	HG23	H	0.885	0.005	1
689	1	84	ILE	HD11	H	0.846	0.004	1
690	1	84	ILE	HD12	H	0.846	0.004	1
691	1	84	ILE	HD13	H	0.846	0.004	1
692	1	84	ILE	CA	C	59.034	0.066	1
693	1	84	ILE	CB	C	42.259	0.055	1
694	1	84	ILE	CG1	C	26.989	0.044	1
695	1	84	ILE	CG2	C	18.486	0.065	1
696	1	84	ILE	CD1	C	14.118	0.062	1
697	1	84	ILE	N	N	113.121	0.027	1
698	1	85	GLN	H	H	9.157	0.001	1
699	1	85	GLN	HA	H	5.071	0.007	1
700	1	85	GLN	HB2	H	2.106	0.007	2
701	1	85	GLN	HB3	H	2.138	0.013	2
702	1	85	GLN	HG2	H	2.364	0.004	2
703	1	85	GLN	HG3	H	2.487	0.001	2
704	1	85	GLN	CA	C	55.047	0.046	1
705	1	85	GLN	CB	C	30.004	0.054	1
706	1	85	GLN	CG	C	33.67	0.067	1
707	1	85	GLN	N	N	124.547	0.027	1
708	1	86	GLN	H	H	9.044	0.003	1
709	1	86	GLN	HA	H	4.682	0.012	1
710	1	86	GLN	HB2	H	1.875	0.006	2
711	1	86	GLN	HB3	H	2.028	0.002	2
712	1	86	GLN	HG2	H	2.195	0.002	2
713	1	86	GLN	HG3	H	2.195	0.002	2
714	1	86	GLN	CA	C	54.082	0.056	1
715	1	86	GLN	CB	C	30.128	0.042	1
716	1	86	GLN	CG	C	34.029	0.067	1
717	1	86	GLN	N	N	128.348	0.027	1
718	1	87	GLY	H	H	9.011	0.002	1
719	1	87	GLY	HA2	H	4.029	0.009	2
720	1	87	GLY	HA3	H	3.686	0.007	2
721	1	87	GLY	CA	C	47.228	0.083	1
722	1	87	GLY	N	N	116.484	0.047	1
723	1	88	ASN	H	H	8.998	0.005	1
724	1	88	ASN	HA	H	4.746	0.006	1
725	1	88	ASN	HB2	H	2.882	0.005	2
726	1	88	ASN	HB3	H	2.882	0.005	2
727	1	88	ASN	CA	C	53.385	0.075	1
728	1	88	ASN	CB	C	38.361	0.104	1
729	1	88	ASN	N	N	125.192	0.066	1
730	1	89	ILE	H	H	8.07	0.001	1
731	1	89	ILE	HA	H	4.231	0.013	1
732	1	89	ILE	HB	H	2.212	0.009	1
733	1	89	ILE	HG12	H	1.584	0.006	2
734	1	89	ILE	HG13	H	1.312	0.003	2
735	1	89	ILE	HG21	H	0.903	0.007	1
736	1	89	ILE	HG22	H	0.903	0.007	1
737	1	89	ILE	HG23	H	0.903	0.007	1
738	1	89	ILE	HD11	H	0.843	0.006	1
739	1	89	ILE	HD12	H	0.843	0.006	1
740	1	89	ILE	HD13	H	0.843	0.006	1
741	1	89	ILE	CA	C	60.276	0.099	1
742	1	89	ILE	CB	C	39.506	0.074	1
743	1	89	ILE	CG1	C	27.151	0.113	1
744	1	89	ILE	CG2	C	17.442	0.127	1
745	1	89	ILE	CD1	C	12.391	0.091	1
746	1	89	ILE	N	N	121.552	0.033	1
747	1	90	SER	H	H	8.404	0.005	1
748	1	90	SER	HA	H	5.223	0.004	1
749	1	90	SER	HB2	H	3.409	0.004	2
750	1	90	SER	HB3	H	3.707	0.006	2
751	1	90	SER	CA	C	57.842	0.043	1
752	1	90	SER	CB	C	64.477	0.033	1
753	1	90	SER	N	N	123.951	0.029	1
754	1	91	LEU	H	H	9.315	0.002	1
755	1	91	LEU	HA	H	4.842	0.003	1
756	1	91	LEU	HB2	H	1.293	0.003	2
757	1	91	LEU	HB3	H	1.975	0.01	2
758	1	91	LEU	HG	H	1.522	0.004	1
759	1	91	LEU	HD11	H	0.853	0.002	2
760	1	91	LEU	HD12	H	0.853	0.002	2
761	1	91	LEU	HD13	H	0.853	0.002	2
762	1	91	LEU	HD21	H	0.832	0.004	2
763	1	91	LEU	HD22	H	0.832	0.004	2
764	1	91	LEU	HD23	H	0.832	0.004	2
765	1	91	LEU	CA	C	54.144	0.05	1
766	1	91	LEU	CB	C	44.427	0.118	1
767	1	91	LEU	CG	C	27.002	0.028	1
768	1	91	LEU	CD1	C	23.959	0.052	2
769	1	91	LEU	CD2	C	25.546	0.126	2
770	1	91	LEU	N	N	129.905	0.023	1
771	1	92	LEU	H	H	9.488	0.002	1
772	1	92	LEU	HA	H	4.56	0.007	1
773	1	92	LEU	HB2	H	1.828	0.007	2
774	1	92	LEU	HB3	H	1.499	0.005	2
775	1	92	LEU	HG	H	1.802	0.003	1
776	1	92	LEU	HD11	H	0.696	0.003	2
777	1	92	LEU	HD12	H	0.696	0.003	2
778	1	92	LEU	HD13	H	0.696	0.003	2
779	1	92	LEU	HD21	H	0.748	0.003	2
780	1	92	LEU	HD22	H	0.748	0.003	2
781	1	92	LEU	HD23	H	0.748	0.003	2
782	1	92	LEU	CA	C	56.346	0.092	1
783	1	92	LEU	CB	C	43.36	0.086	1
784	1	92	LEU	CG	C	27.557	0.088	1
785	1	92	LEU	CD1	C	24.756	0.062	2
786	1	92	LEU	CD2	C	26.176	0.099	2
787	1	92	LEU	N	N	126.3	0.017	1
788	1	93	LYS	H	H	9.442	0.004	1
789	1	93	LYS	HA	H	4.598	0.006	1
790	1	93	LYS	HB2	H	1.683	0.007	2
791	1	93	LYS	HB3	H	1.822	0.006	2
792	1	93	LYS	HG2	H	1.488	0.023	2
793	1	93	LYS	HG3	H	1.426	0.005	2
794	1	93	LYS	HE2	H	2.911	0.032	2
795	1	93	LYS	HE3	H	2.911	0.032	2
796	1	93	LYS	CA	C	54.974	0.089	1
797	1	93	LYS	CB	C	33.077	0.09	1
798	1	93	LYS	CG	C	24.027	0.104	1
799	1	93	LYS	CD	C	27.46	0.057	1
800	1	93	LYS	CE	C	41.747	0.118	1
801	1	93	LYS	N	N	123.261	0.03	1
802	1	94	SER	H	H	7.868	0.004	1
803	1	94	SER	HA	H	4.689	0.004	1
804	1	94	SER	HB2	H	3.835	0.006	2
805	1	94	SER	HB3	H	3.878	0.002	2
806	1	94	SER	CA	C	58.083	0.073	1
807	1	94	SER	CB	C	65.633	0.052	1
808	1	94	SER	N	N	112.85	0.05	1
809	1	95	ILE	H	H	8.386	0.006	1
810	1	95	ILE	HA	H	4.954	0.007	1
811	1	95	ILE	HB	H	1.99	0.006	1
812	1	95	ILE	HG12	H	0.82	0.006	2
813	1	95	ILE	HG13	H	1.602	0.003	2
814	1	95	ILE	HG21	H	0.738	0.011	1
815	1	95	ILE	HG22	H	0.738	0.011	1
816	1	95	ILE	HG23	H	0.738	0.011	1
817	1	95	ILE	HD11	H	0.602	0.004	1
818	1	95	ILE	HD12	H	0.602	0.004	1
819	1	95	ILE	HD13	H	0.602	0.004	1
820	1	95	ILE	CA	C	61.391	0.077	1
821	1	95	ILE	CB	C	40.017	0.083	1
822	1	95	ILE	CG1	C	28.665	0.107	1
823	1	95	ILE	CG2	C	14.795	0.068	1
824	1	95	ILE	CD1	C	15.747	0.096	1
825	1	95	ILE	N	N	118.581	0.023	1
826	1	96	ASN	H	H	8.867	0.008	1
827	1	96	ASN	HA	H	5.028	0.006	1
828	1	96	ASN	HB2	H	2.572	0.003	2
829	1	96	ASN	HB3	H	2.682	0.001	2
830	1	96	ASN	CA	C	52.552	0.044	1
831	1	96	ASN	CB	C	42.448	0.067	1
832	1	96	ASN	N	N	122.516	0.063	1
833	1	97	VAL	H	H	8.842	0.002	1
834	1	97	VAL	HA	H	4.497	0.006	1
835	1	97	VAL	HB	H	2.002	0.009	1
836	1	97	VAL	HG11	H	0.965	0.002	2
837	1	97	VAL	HG12	H	0.965	0.002	2
838	1	97	VAL	HG13	H	0.965	0.002	2
839	1	97	VAL	HG21	H	1.007	0.01	2
840	1	97	VAL	HG22	H	1.007	0.01	2
841	1	97	VAL	HG23	H	1.007	0.01	2
842	1	97	VAL	CA	C	63.173	0.08	1
843	1	97	VAL	CB	C	32.099	0.086	1
844	1	97	VAL	CG1	C	22.453	0.065	2
845	1	97	VAL	CG2	C	21.323	0.111	2
846	1	97	VAL	N	N	123.512	0.042	1
847	1	98	THR	H	H	8.907	0.013	1
848	1	98	THR	HA	H	4.362	0.003	1
849	1	98	THR	HB	H	4.131	0.006	1
850	1	98	THR	HG21	H	1.116	0.009	1
851	1	98	THR	HG22	H	1.116	0.009	1
852	1	98	THR	HG23	H	1.116	0.009	1
853	1	98	THR	CA	C	61.763	0.071	1
854	1	98	THR	CB	C	69.877	0.095	1
855	1	98	THR	CG2	C	22.008	0.057	1
856	1	98	THR	N	N	122.214	0.049	1
857	1	99	GLN	H	H	8.217	0.027	1
858	1	99	GLN	HA	H	4.387	0.01	1
859	1	99	GLN	HB2	H	2.001	0.012	2
860	1	99	GLN	HB3	H	2.001	0.012	2
861	1	99	GLN	HG2	H	2.341	0.006	2
862	1	99	GLN	HG3	H	2.341	0.006	2
863	1	99	GLN	CA	C	56.081	0.093	1
864	1	99	GLN	CB	C	30.253	0.13	1
865	1	99	GLN	CG	C	33.862	0.041	1
866	1	99	GLN	N	N	122.614	0.1	1
867	1	100	SER	H	H	8.195	0.01	1
868	1	100	SER	HA	H	4.17	0.005	1
869	1	100	SER	HB2	H	3.735	0.004	2
870	1	100	SER	HB3	H	3.771	0.007	2
871	1	100	SER	CA	C	60.18	0.016	1
872	1	100	SER	CB	C	64.613	0.052	1
873	1	100	SER	N	N	124.506	0.039	1

Release date

2022-12-08

Citation

The battle for silver binding: How the interplay between the SilE, SilF, and SilB proteins contributes to the silver efflux pump mechanism
Arrault, C., Monneau, Y.R., Martin, M., Cantrelle, F.X., Boll, E., Chirot, F., Comby Zerbino, C., Walker, O., Hologne, M.
J. Biol. Chem. (2023), 299, 105004-105004, PubMed 37394004 , DOI 10.1016/j.jbc.2023.105004 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 34779 released on 2023-01-04
Title apo structure of the specific silver chaperone needed for bacterial silver resistance

Related entities 1. silver ion-bound SilF, entity 1, : 1 : 1 : 6 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

4 2D (HB)CB(CGCD)HD

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

5 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
1	SilF from Salmonella Typhimurium plasmid pMG10	[U-13C; U-15N]	500 uM
2	Silver ion	natural abundance	500 uM
3	MES buffer	natural abundance	20 mM
4	NaCl	natural abundance	100 mM

6 3D CBCACONH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

7 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

8 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

9 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

10 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

11 3D H(C)CH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

12 3D (H)CCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

14 3D 15N-separated NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 20 mM MES buffer pH6.8, 100 mM NaCl

#	Name	Isotope labeling	Concentration
5	SilF from Salmonella Typhimurium plasmid pMG10	natural abundance	250 uM
6	Silver ion	natural abundance	250 uM
7	MES buffer	natural abundance	20 mM
8	NaCl	natural abundance	100 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51726_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	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:46:HIS:HE2	2:1:AG:AG	unknown	unknown	n/a
1:57:MET:SG	2:1:AG:AG	unknown	unknown	n/a
1:59:MET:SG	2:1:AG:AG	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr51726_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	873		76.0 (chain: 1, length: 100)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 76.0%
- Total number of assignments
  - ¹H chemical shifts: 532
  - ¹³C chemical shifts: 266
  - ¹⁵N chemical shifts: 75
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- 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	575	426	74.1
¹³C chemical shifts	435	266	61.1
¹⁵N chemical shifts	112	75	67.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	206	155	75.2
¹³C chemical shifts	200	76	38.0
¹⁵N chemical shifts	98	74	75.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	369	271	73.4
¹³C chemical shifts	235	190	80.9
¹⁵N chemical shifts	14	1	7.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	30	88.2
¹³C chemical shifts	33	29	87.9
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (0.346 seconds)

BMRB: 51726

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. silver ion-bound SilF, entity 1, : 1 : 1 : 6 entities Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 4 contents Detail