BMRBj - BMREntryMaster

Found 1 Document (0.498 seconds)

BMRB: 34887

8RD6

the C-terminal domain of TonB protein from Salmonella enterica.

Authors

Iwai, H., Ciragan, A., Oeemig, J.S.

Assembly

Protein TonB

Entity

1. Protein TonB (polymer, Thiol state: not present), 90 monomers, 10039.40 Da Detail

STGPRALSRN QPQYPARAQA LRIEGRVKVK FDVTSAGRVE NVQILSAQPA NMFEREVKNA MRKWRYEAGK PGSGLVVNII FRLNGTAQIE

Formula weight

10039.4 Da

Source organism

Salmonella enterica

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 642, ¹³C: 394, ¹⁵N: 95 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	THR	HA	H	4.382	0.009	1
2	1	2	THR	HB	H	4.252	0.015	1
3	1	2	THR	HG21	H	1.207	0.011	1
4	1	2	THR	HG22	H	1.207	0.011	1
5	1	2	THR	HG23	H	1.207	0.011	1
6	1	2	THR	C	C	174.583	0.014	1
7	1	2	THR	CA	C	61.864	0.021	1
8	1	2	THR	CB	C	69.941	0.037	1
9	1	2	THR	CG2	C	21.415	0.010	1
10	1	3	GLY	H	H	8.310	0.005	1
11	1	3	GLY	HA2	H	4.107	0.003	2
12	1	3	GLY	HA3	H	4.001	0.001	2
13	1	3	GLY	C	C	170.874	0.000	1
14	1	3	GLY	CA	C	44.471	0.017	1
15	1	3	GLY	N	N	111.204	0.016	1
16	1	4	PRO	HA	H	4.516	0.016	1
17	1	4	PRO	HB2	H	1.824	0.011	2
18	1	4	PRO	HB3	H	2.455	0.010	2
19	1	4	PRO	HG2	H	1.840	0.000	2
20	1	4	PRO	HG3	H	1.784	0.000	2
21	1	4	PRO	HD2	H	3.454	0.005	2
22	1	4	PRO	HD3	H	3.591	0.006	2
23	1	4	PRO	C	C	176.450	0.031	1
24	1	4	PRO	CA	C	63.138	0.029	1
25	1	4	PRO	CB	C	32.708	0.053	1
26	1	4	PRO	CG	C	27.089	0.022	1
27	1	4	PRO	CD	C	49.666	0.091	1
28	1	5	ARG	H	H	9.044	0.005	1
29	1	5	ARG	HA	H	4.500	0.003	1
30	1	5	ARG	HB2	H	1.743	0.004	2
31	1	5	ARG	HB3	H	1.622	0.005	2
32	1	5	ARG	HG2	H	1.477	0.003	2
33	1	5	ARG	HG3	H	1.594	0.006	2
34	1	5	ARG	HD2	H	3.148	0.002	2
35	1	5	ARG	HD3	H	3.148	0.002	2
36	1	5	ARG	C	C	174.565	0.010	1
37	1	5	ARG	CA	C	55.198	0.039	1
38	1	5	ARG	CB	C	32.568	0.031	1
39	1	5	ARG	CG	C	27.242	0.020	1
40	1	5	ARG	CD	C	43.490	0.000	1
41	1	5	ARG	N	N	123.638	0.022	1
42	1	6	ALA	H	H	8.666	0.004	1
43	1	6	ALA	HA	H	2.946	0.009	1
44	1	6	ALA	HB1	H	0.606	0.016	1
45	1	6	ALA	HB2	H	0.606	0.016	1
46	1	6	ALA	HB3	H	0.606	0.016	1
47	1	6	ALA	C	C	176.514	0.024	1
48	1	6	ALA	CA	C	52.640	0.020	1
49	1	6	ALA	CB	C	18.010	0.031	1
50	1	6	ALA	N	N	129.007	0.027	1
51	1	7	LEU	H	H	8.642	0.001	1
52	1	7	LEU	HA	H	4.350	0.003	1
53	1	7	LEU	HB2	H	1.303	0.000	2
54	1	7	LEU	HB3	H	1.286	0.015	2
55	1	7	LEU	HG	H	1.352	0.002	1
56	1	7	LEU	HD11	H	0.724	0.003	2
57	1	7	LEU	HD12	H	0.724	0.003	2
58	1	7	LEU	HD13	H	0.724	0.003	2
59	1	7	LEU	HD21	H	0.724	0.003	2
60	1	7	LEU	HD22	H	0.724	0.003	2
61	1	7	LEU	HD23	H	0.724	0.003	2
62	1	7	LEU	C	C	177.567	0.029	1
63	1	7	LEU	CA	C	55.479	0.024	1
64	1	7	LEU	CB	C	43.042	0.039	1
65	1	7	LEU	CG	C	27.079	0.000	1
66	1	7	LEU	CD1	C	22.265	0.000	1
67	1	7	LEU	CD2	C	25.669	0.064	1
68	1	7	LEU	N	N	122.165	0.015	1
69	1	8	SER	H	H	7.891	0.005	1
70	1	8	SER	HA	H	4.194	0.016	1
71	1	8	SER	HB2	H	3.590	0.008	2
72	1	8	SER	HB3	H	3.633	0.010	2
73	1	8	SER	C	C	172.787	0.047	1
74	1	8	SER	CA	C	57.612	0.088	1
75	1	8	SER	CB	C	63.956	0.000	1
76	1	8	SER	N	N	112.213	0.025	1
77	1	9	ARG	H	H	8.438	0.002	1
78	1	9	ARG	HA	H	3.487	0.001	1
79	1	9	ARG	HB2	H	-0.586	0.002	2
80	1	9	ARG	HB3	H	1.036	0.001	2
81	1	9	ARG	HG2	H	0.580	0.006	2
82	1	9	ARG	HG3	H	0.347	0.003	2
83	1	9	ARG	HD2	H	1.558	0.008	2
84	1	9	ARG	HD3	H	2.533	0.007	2
85	1	9	ARG	C	C	172.883	0.010	1
86	1	9	ARG	CA	C	53.814	0.065	1
87	1	9	ARG	CB	C	30.716	0.030	1
88	1	9	ARG	CG	C	25.035	0.040	1
89	1	9	ARG	CD	C	43.150	0.048	1
90	1	9	ARG	N	N	126.561	0.028	1
91	1	10	ASN	H	H	8.023	0.005	1
92	1	10	ASN	HA	H	4.322	0.004	1
93	1	10	ASN	HB2	H	2.728	0.004	2
94	1	10	ASN	HB3	H	2.623	0.006	2
95	1	10	ASN	HD21	H	7.816	0.000	2
96	1	10	ASN	HD22	H	7.055	0.000	2
97	1	10	ASN	C	C	175.431	0.025	1
98	1	10	ASN	CA	C	54.111	0.054	1
99	1	10	ASN	CB	C	38.062	0.056	1
100	1	10	ASN	N	N	119.765	0.020	1
101	1	10	ASN	ND2	N	113.588	0.001	1
102	1	11	GLN	H	H	8.847	0.005	1
103	1	11	GLN	HA	H	4.235	0.009	1
104	1	11	GLN	HB2	H	1.962	0.002	2
105	1	11	GLN	HB3	H	2.066	0.011	2
106	1	11	GLN	HG2	H	2.437	0.005	2
107	1	11	GLN	HG3	H	2.521	0.007	2
108	1	11	GLN	HE21	H	7.718	0.000	2
109	1	11	GLN	HE22	H	6.820	0.000	2
110	1	11	GLN	C	C	174.604	0.000	1
111	1	11	GLN	CA	C	54.777	0.027	1
112	1	11	GLN	CB	C	28.270	0.013	1
113	1	11	GLN	CG	C	33.897	0.003	1
114	1	11	GLN	N	N	122.098	0.026	1
115	1	11	GLN	NE2	N	111.437	0.002	1
116	1	12	PRO	HA	H	4.358	0.005	1
117	1	12	PRO	HB2	H	1.965	0.010	2
118	1	12	PRO	HB3	H	2.170	0.010	2
119	1	12	PRO	HG2	H	1.824	0.004	2
120	1	12	PRO	HG3	H	1.708	0.007	2
121	1	12	PRO	HD2	H	3.774	0.005	2
122	1	12	PRO	HD3	H	3.298	0.007	2
123	1	12	PRO	C	C	174.611	0.009	1
124	1	12	PRO	CA	C	62.145	0.042	1
125	1	12	PRO	CB	C	31.399	0.087	1
126	1	12	PRO	CG	C	28.113	0.067	1
127	1	12	PRO	CD	C	49.820	0.053	1
128	1	13	GLN	H	H	8.562	0.005	1
129	1	13	GLN	HA	H	4.201	0.002	1
130	1	13	GLN	HB2	H	1.912	0.007	2
131	1	13	GLN	HB3	H	2.022	0.005	2
132	1	13	GLN	HG2	H	2.387	0.005	2
133	1	13	GLN	HG3	H	2.387	0.005	2
134	1	13	GLN	HE21	H	7.567	0.000	2
135	1	13	GLN	HE22	H	6.941	0.000	2
136	1	13	GLN	C	C	173.956	0.019	1
137	1	13	GLN	CA	C	55.377	0.057	1
138	1	13	GLN	CB	C	29.655	0.034	1
139	1	13	GLN	CG	C	34.131	0.022	1
140	1	13	GLN	N	N	121.515	0.021	1
141	1	13	GLN	NE2	N	112.973	0.002	1
142	1	14	TYR	H	H	8.634	0.006	1
143	1	14	TYR	HA	H	4.706	0.001	1
144	1	14	TYR	HB2	H	3.162	0.001	2
145	1	14	TYR	HB3	H	2.988	0.002	2
146	1	14	TYR	HD1	H	7.200	0.003	1
147	1	14	TYR	HD2	H	7.200	0.003	1
148	1	14	TYR	HE1	H	6.903	0.002	1
149	1	14	TYR	HE2	H	6.903	0.002	1
150	1	14	TYR	C	C	175.449	0.000	1
151	1	14	TYR	CA	C	55.970	0.007	1
152	1	14	TYR	CB	C	39.637	0.024	1
153	1	14	TYR	CD1	C	132.152	0.000	1
154	1	14	TYR	CD2	C	132.152	0.000	1
155	1	14	TYR	CE1	C	118.636	0.000	1
156	1	14	TYR	CE2	C	118.636	0.000	1
157	1	14	TYR	N	N	124.946	0.026	1
158	1	15	PRO	HA	H	4.387	0.001	1
159	1	15	PRO	HB2	H	1.652	0.011	2
160	1	15	PRO	HB3	H	2.356	0.010	2
161	1	15	PRO	HG2	H	1.801	0.000	2
162	1	15	PRO	HG3	H	1.568	0.001	2
163	1	15	PRO	HD2	H	4.048	0.007	2
164	1	15	PRO	HD3	H	3.090	0.003	2
165	1	15	PRO	C	C	177.295	0.002	1
166	1	15	PRO	CA	C	63.029	0.024	1
167	1	15	PRO	CB	C	32.057	0.029	1
168	1	15	PRO	CG	C	27.827	0.035	1
169	1	15	PRO	CD	C	50.829	0.023	1
170	1	16	ALA	H	H	8.801	0.005	1
171	1	16	ALA	HA	H	4.087	0.000	1
172	1	16	ALA	HB1	H	1.431	0.002	1
173	1	16	ALA	HB2	H	1.431	0.002	1
174	1	16	ALA	HB3	H	1.431	0.002	1
175	1	16	ALA	C	C	180.729	0.034	1
176	1	16	ALA	CA	C	55.383	0.059	1
177	1	16	ALA	CB	C	18.278	0.054	1
178	1	16	ALA	N	N	128.325	0.010	1
179	1	17	ARG	H	H	8.871	0.004	1
180	1	17	ARG	HA	H	4.056	0.003	1
181	1	17	ARG	HB2	H	1.741	0.009	2
182	1	17	ARG	HB3	H	1.636	0.004	2
183	1	17	ARG	HG2	H	1.614	0.012	2
184	1	17	ARG	HG3	H	1.466	0.005	2
185	1	17	ARG	HD2	H	3.157	0.004	2
186	1	17	ARG	HD3	H	3.157	0.004	2
187	1	17	ARG	C	C	177.354	0.009	1
188	1	17	ARG	CA	C	58.471	0.037	1
189	1	17	ARG	CB	C	29.870	0.012	1
190	1	17	ARG	CG	C	27.261	0.017	1
191	1	17	ARG	CD	C	43.211	0.000	1
192	1	17	ARG	N	N	117.135	0.026	1
193	1	18	ALA	H	H	6.801	0.006	1
194	1	18	ALA	HA	H	3.976	0.002	1
195	1	18	ALA	HB1	H	1.204	0.003	1
196	1	18	ALA	HB2	H	1.204	0.003	1
197	1	18	ALA	HB3	H	1.204	0.003	1
198	1	18	ALA	C	C	178.916	0.087	1
199	1	18	ALA	CA	C	54.321	0.077	1
200	1	18	ALA	CB	C	18.971	0.043	1
201	1	18	ALA	N	N	118.938	0.032	1
202	1	19	GLN	H	H	7.882	0.005	1
203	1	19	GLN	HA	H	3.948	0.003	1
204	1	19	GLN	HB2	H	2.128	0.005	2
205	1	19	GLN	HB3	H	2.035	0.004	2
206	1	19	GLN	HG2	H	2.233	0.008	2
207	1	19	GLN	HG3	H	2.290	0.001	2
208	1	19	GLN	HE21	H	7.277	0.000	2
209	1	19	GLN	HE22	H	6.831	0.000	2
210	1	19	GLN	C	C	178.709	0.000	1
211	1	19	GLN	CA	C	58.876	0.040	1
212	1	19	GLN	CB	C	28.696	0.021	1
213	1	19	GLN	CG	C	33.926	0.003	1
214	1	19	GLN	N	N	117.930	0.022	1
215	1	19	GLN	NE2	N	111.443	0.000	1
216	1	20	ALA	H	H	7.986	0.005	1
217	1	20	ALA	HA	H	4.079	0.005	1
218	1	20	ALA	HB1	H	1.424	0.005	1
219	1	20	ALA	HB2	H	1.424	0.005	1
220	1	20	ALA	HB3	H	1.424	0.005	1
221	1	20	ALA	C	C	179.232	0.037	1
222	1	20	ALA	CA	C	54.493	0.072	1
223	1	20	ALA	CB	C	18.411	0.046	1
224	1	20	ALA	N	N	121.173	0.020	1
225	1	21	LEU	H	H	7.530	0.006	1
226	1	21	LEU	HA	H	4.228	0.004	1
227	1	21	LEU	HB2	H	1.621	0.012	2
228	1	21	LEU	HB3	H	1.621	0.012	2
229	1	21	LEU	HG	H	1.713	0.000	1
230	1	21	LEU	HD11	H	0.865	0.009	2
231	1	21	LEU	HD12	H	0.865	0.009	2
232	1	21	LEU	HD13	H	0.865	0.009	2
233	1	21	LEU	HD21	H	0.814	0.000	2
234	1	21	LEU	HD22	H	0.814	0.000	2
235	1	21	LEU	HD23	H	0.814	0.000	2
236	1	21	LEU	C	C	176.005	0.019	1
237	1	21	LEU	CA	C	54.910	0.061	1
238	1	21	LEU	CB	C	42.844	0.017	1
239	1	21	LEU	CG	C	27.078	0.000	1
240	1	21	LEU	CD1	C	25.033	0.000	1
241	1	21	LEU	CD2	C	22.358	0.000	1
242	1	21	LEU	N	N	116.287	0.013	1
243	1	22	ARG	H	H	7.881	0.005	1
244	1	22	ARG	HA	H	3.859	0.009	1
245	1	22	ARG	HB2	H	1.833	0.001	2
246	1	22	ARG	HB3	H	2.102	0.006	2
247	1	22	ARG	HG2	H	1.602	0.000	2
248	1	22	ARG	HG3	H	1.602	0.000	2
249	1	22	ARG	HD2	H	3.211	0.013	2
250	1	22	ARG	HD3	H	3.211	0.013	2
251	1	22	ARG	C	C	174.563	0.020	1
252	1	22	ARG	CA	C	56.854	0.048	1
253	1	22	ARG	CB	C	26.840	0.052	1
254	1	22	ARG	CG	C	26.449	0.000	1
255	1	22	ARG	CD	C	43.248	0.032	1
256	1	22	ARG	N	N	116.955	0.022	1
257	1	23	ILE	H	H	7.971	0.005	1
258	1	23	ILE	HA	H	4.424	0.002	1
259	1	23	ILE	HB	H	1.733	0.004	1
260	1	23	ILE	HG12	H	1.145	0.006	2
261	1	23	ILE	HG13	H	1.451	0.004	2
262	1	23	ILE	HG21	H	0.924	0.000	1
263	1	23	ILE	HG22	H	0.924	0.000	1
264	1	23	ILE	HG23	H	0.924	0.000	1
265	1	23	ILE	HD11	H	0.794	0.002	1
266	1	23	ILE	HD12	H	0.794	0.002	1
267	1	23	ILE	HD13	H	0.794	0.002	1
268	1	23	ILE	C	C	175.716	0.008	1
269	1	23	ILE	CA	C	60.152	0.021	1
270	1	23	ILE	CB	C	40.753	0.063	1
271	1	23	ILE	CG1	C	27.298	0.036	1
272	1	23	ILE	CG2	C	18.160	0.001	1
273	1	23	ILE	CD1	C	13.225	0.008	1
274	1	23	ILE	N	N	117.826	0.017	1
275	1	24	GLU	H	H	8.485	0.005	1
276	1	24	GLU	HA	H	4.635	0.003	1
277	1	24	GLU	HB2	H	2.152	0.005	2
278	1	24	GLU	HB3	H	2.174	0.004	2
279	1	24	GLU	HG2	H	2.208	0.001	2
280	1	24	GLU	HG3	H	2.323	0.005	2
281	1	24	GLU	C	C	175.278	0.015	1
282	1	24	GLU	CA	C	55.226	0.073	1
283	1	24	GLU	CB	C	31.790	0.042	1
284	1	24	GLU	CG	C	37.436	0.013	1
285	1	24	GLU	N	N	125.811	0.017	1
286	1	25	GLY	H	H	8.009	0.001	1
287	1	25	GLY	HA2	H	3.968	0.009	2
288	1	25	GLY	HA3	H	4.643	0.002	2
289	1	25	GLY	C	C	172.107	0.003	1
290	1	25	GLY	CA	C	46.046	0.030	1
291	1	25	GLY	N	N	106.009	0.026	1
292	1	26	ARG	H	H	8.608	0.004	1
293	1	26	ARG	HA	H	5.430	0.009	1
294	1	26	ARG	HB2	H	1.845	0.003	2
295	1	26	ARG	HB3	H	1.696	0.005	2
296	1	26	ARG	HG2	H	1.538	0.000	2
297	1	26	ARG	HG3	H	1.538	0.000	2
298	1	26	ARG	HD2	H	3.127	0.002	2
299	1	26	ARG	HD3	H	3.127	0.002	2
300	1	26	ARG	C	C	175.219	0.015	1
301	1	26	ARG	CA	C	55.183	0.042	1
302	1	26	ARG	CB	C	33.921	0.046	1
303	1	26	ARG	CG	C	27.144	0.000	1
304	1	26	ARG	CD	C	43.559	0.000	1
305	1	26	ARG	N	N	118.316	0.025	1
306	1	27	VAL	H	H	9.287	0.005	1
307	1	27	VAL	HA	H	4.887	0.006	1
308	1	27	VAL	HB	H	1.966	0.004	1
309	1	27	VAL	HG11	H	1.051	0.006	2
310	1	27	VAL	HG12	H	1.051	0.006	2
311	1	27	VAL	HG13	H	1.051	0.006	2
312	1	27	VAL	HG21	H	0.942	0.001	2
313	1	27	VAL	HG22	H	0.942	0.001	2
314	1	27	VAL	HG23	H	0.942	0.001	2
315	1	27	VAL	C	C	172.836	0.020	1
316	1	27	VAL	CA	C	60.819	0.056	1
317	1	27	VAL	CB	C	36.125	0.047	1
318	1	27	VAL	CG1	C	22.526	0.000	1
319	1	27	VAL	CG2	C	22.023	0.082	1
320	1	27	VAL	N	N	124.039	0.025	1
321	1	28	LYS	H	H	9.114	0.004	1
322	1	28	LYS	HA	H	5.307	0.002	1
323	1	28	LYS	HB2	H	1.749	0.005	2
324	1	28	LYS	HB3	H	1.807	0.000	2
325	1	28	LYS	HG2	H	1.207	0.003	2
326	1	28	LYS	HG3	H	1.398	0.006	2
327	1	28	LYS	HD2	H	1.590	0.001	2
328	1	28	LYS	HD3	H	1.649	0.000	2
329	1	28	LYS	HE2	H	2.851	0.004	2
330	1	28	LYS	HE3	H	2.851	0.004	2
331	1	28	LYS	C	C	175.630	0.025	1
332	1	28	LYS	CA	C	55.635	0.075	1
333	1	28	LYS	CB	C	35.034	0.018	1
334	1	28	LYS	CG	C	24.935	0.061	1
335	1	28	LYS	CD	C	29.331	0.022	1
336	1	28	LYS	CE	C	41.605	0.051	1
337	1	28	LYS	N	N	129.907	0.037	1
338	1	29	VAL	H	H	9.268	0.005	1
339	1	29	VAL	HA	H	4.966	0.010	1
340	1	29	VAL	HB	H	1.874	0.007	1
341	1	29	VAL	HG11	H	0.860	0.002	2
342	1	29	VAL	HG12	H	0.860	0.002	2
343	1	29	VAL	HG13	H	0.860	0.002	2
344	1	29	VAL	HG21	H	0.842	0.000	2
345	1	29	VAL	HG22	H	0.842	0.000	2
346	1	29	VAL	HG23	H	0.842	0.000	2
347	1	29	VAL	C	C	172.196	0.012	1
348	1	29	VAL	CA	C	60.465	0.015	1
349	1	29	VAL	CB	C	35.861	0.021	1
350	1	29	VAL	CG1	C	22.777	0.000	1
351	1	29	VAL	CG2	C	21.879	0.000	1
352	1	29	VAL	N	N	126.114	0.019	1
353	1	30	LYS	H	H	9.078	0.006	1
354	1	30	LYS	HA	H	6.041	0.009	1
355	1	30	LYS	HB2	H	1.573	0.004	2
356	1	30	LYS	HB3	H	1.712	0.003	2
357	1	30	LYS	HG2	H	1.252	0.007	2
358	1	30	LYS	HG3	H	1.533	0.000	2
359	1	30	LYS	HD2	H	1.576	0.003	2
360	1	30	LYS	HD3	H	1.576	0.003	2
361	1	30	LYS	HE2	H	2.841	0.000	2
362	1	30	LYS	HE3	H	2.841	0.000	2
363	1	30	LYS	C	C	174.680	0.014	1
364	1	30	LYS	CA	C	53.576	0.068	1
365	1	30	LYS	CB	C	36.941	0.039	1
366	1	30	LYS	CG	C	24.720	0.013	1
367	1	30	LYS	CD	C	29.993	0.022	1
368	1	30	LYS	N	N	127.083	0.019	1
369	1	31	PHE	H	H	9.031	0.005	1
370	1	31	PHE	HA	H	5.041	0.003	1
371	1	31	PHE	HB2	H	2.964	0.007	2
372	1	31	PHE	HB3	H	2.886	0.003	2
373	1	31	PHE	HD1	H	6.847	0.004	1
374	1	31	PHE	HD2	H	6.847	0.004	1
375	1	31	PHE	HE1	H	6.963	0.001	1
376	1	31	PHE	HE2	H	6.963	0.001	1
377	1	31	PHE	C	C	171.043	0.019	1
378	1	31	PHE	CA	C	56.397	0.032	1
379	1	31	PHE	CB	C	40.363	0.051	1
380	1	31	PHE	CD1	C	132.810	0.000	1
381	1	31	PHE	CD2	C	132.810	0.000	1
382	1	31	PHE	CE1	C	130.378	0.000	1
383	1	31	PHE	CE2	C	130.378	0.000	1
384	1	31	PHE	N	N	121.371	0.025	1
385	1	32	ASP	H	H	8.641	0.004	1
386	1	32	ASP	HA	H	5.128	0.004	1
387	1	32	ASP	HB2	H	2.361	0.005	2
388	1	32	ASP	HB3	H	2.847	0.003	2
389	1	32	ASP	C	C	174.744	0.024	1
390	1	32	ASP	CA	C	52.131	0.064	1
391	1	32	ASP	CB	C	43.584	0.040	1
392	1	32	ASP	N	N	116.570	0.024	1
393	1	33	VAL	H	H	8.742	0.006	1
394	1	33	VAL	HA	H	4.877	0.001	1
395	1	33	VAL	HB	H	1.455	0.002	1
396	1	33	VAL	HG11	H	0.770	0.004	2
397	1	33	VAL	HG12	H	0.770	0.004	2
398	1	33	VAL	HG13	H	0.770	0.004	2
399	1	33	VAL	HG21	H	0.181	0.005	2
400	1	33	VAL	HG22	H	0.181	0.005	2
401	1	33	VAL	HG23	H	0.181	0.005	2
402	1	33	VAL	C	C	177.809	0.013	1
403	1	33	VAL	CA	C	60.814	0.035	1
404	1	33	VAL	CB	C	34.503	0.083	1
405	1	33	VAL	CG1	C	21.849	0.013	1
406	1	33	VAL	CG2	C	21.662	0.020	1
407	1	33	VAL	N	N	119.610	0.023	1
408	1	34	THR	H	H	9.415	0.003	1
409	1	34	THR	HA	H	4.595	0.004	1
410	1	34	THR	HB	H	4.790	0.009	1
411	1	34	THR	HG21	H	1.232	0.005	1
412	1	34	THR	HG22	H	1.232	0.005	1
413	1	34	THR	HG23	H	1.232	0.005	1
414	1	34	THR	C	C	177.956	0.000	1
415	1	34	THR	CA	C	60.698	0.014	1
416	1	34	THR	CB	C	71.883	0.071	1
417	1	34	THR	CG2	C	21.342	0.000	1
418	1	34	THR	N	N	117.985	0.021	1
419	1	35	SER	HA	H	3.956	0.000	1
420	1	35	SER	HB2	H	3.925	0.000	2
421	1	35	SER	HB3	H	4.039	0.000	2
422	1	35	SER	C	C	174.569	0.000	1
423	1	35	SER	CA	C	62.159	0.071	1
424	1	35	SER	CB	C	62.503	0.011	1
425	1	36	ALA	H	H	7.741	0.004	1
426	1	36	ALA	HA	H	4.608	0.006	1
427	1	36	ALA	HB1	H	1.406	0.002	1
428	1	36	ALA	HB2	H	1.406	0.002	1
429	1	36	ALA	HB3	H	1.406	0.002	1
430	1	36	ALA	C	C	177.547	0.012	1
431	1	36	ALA	CA	C	51.934	0.022	1
432	1	36	ALA	CB	C	19.124	0.082	1
433	1	36	ALA	N	N	122.494	0.016	1
434	1	37	GLY	H	H	8.161	0.005	1
435	1	37	GLY	HA2	H	4.333	0.006	2
436	1	37	GLY	HA3	H	3.191	0.009	2
437	1	37	GLY	C	C	173.352	0.023	1
438	1	37	GLY	CA	C	45.737	0.020	1
439	1	37	GLY	N	N	107.413	0.018	1
440	1	38	ARG	H	H	7.057	0.002	1
441	1	38	ARG	HA	H	4.902	0.005	1
442	1	38	ARG	HB2	H	2.052	0.005	2
443	1	38	ARG	HB3	H	1.735	0.003	2
444	1	38	ARG	HG2	H	1.658	0.003	2
445	1	38	ARG	HG3	H	1.465	0.002	2
446	1	38	ARG	HD2	H	3.256	0.007	2
447	1	38	ARG	HD3	H	3.260	0.006	2
448	1	38	ARG	C	C	174.762	0.022	1
449	1	38	ARG	CA	C	53.251	0.087	1
450	1	38	ARG	CB	C	31.688	0.048	1
451	1	38	ARG	CG	C	27.424	0.053	1
452	1	38	ARG	CD	C	42.451	0.027	1
453	1	38	ARG	N	N	116.633	0.022	1
454	1	39	VAL	H	H	8.883	0.004	1
455	1	39	VAL	HA	H	4.900	0.013	1
456	1	39	VAL	HB	H	1.996	0.013	1
457	1	39	VAL	HG11	H	0.615	0.004	2
458	1	39	VAL	HG12	H	0.615	0.004	2
459	1	39	VAL	HG13	H	0.615	0.004	2
460	1	39	VAL	HG21	H	1.055	0.004	2
461	1	39	VAL	HG22	H	1.055	0.004	2
462	1	39	VAL	HG23	H	1.055	0.004	2
463	1	39	VAL	C	C	176.275	0.008	1
464	1	39	VAL	CA	C	62.113	0.027	1
465	1	39	VAL	CB	C	32.188	0.045	1
466	1	39	VAL	CG1	C	22.187	0.038	1
467	1	39	VAL	CG2	C	22.609	0.057	1
468	1	39	VAL	N	N	121.074	0.022	1
469	1	40	GLU	H	H	9.046	0.004	1
470	1	40	GLU	HA	H	4.731	0.002	1
471	1	40	GLU	HB2	H	1.967	0.002	2
472	1	40	GLU	HB3	H	1.672	0.002	2
473	1	40	GLU	HG2	H	2.087	0.005	2
474	1	40	GLU	HG3	H	2.087	0.005	2
475	1	40	GLU	C	C	174.056	0.026	1
476	1	40	GLU	CA	C	54.106	0.093	1
477	1	40	GLU	CB	C	34.548	0.030	1
478	1	40	GLU	CG	C	35.771	0.051	1
479	1	40	GLU	N	N	126.104	0.014	1
480	1	41	ASN	H	H	8.867	0.005	1
481	1	41	ASN	HA	H	4.247	0.001	1
482	1	41	ASN	HB2	H	2.631	0.004	2
483	1	41	ASN	HB3	H	3.034	0.003	2
484	1	41	ASN	HD21	H	8.095	0.000	2
485	1	41	ASN	HD22	H	6.697	0.000	2
486	1	41	ASN	C	C	173.955	0.037	1
487	1	41	ASN	CA	C	53.381	0.066	1
488	1	41	ASN	CB	C	36.593	0.008	1
489	1	41	ASN	N	N	117.181	0.014	1
490	1	41	ASN	ND2	N	113.252	0.002	1
491	1	42	VAL	H	H	8.035	0.004	1
492	1	42	VAL	HA	H	4.037	0.009	1
493	1	42	VAL	HB	H	1.837	0.010	1
494	1	42	VAL	HG11	H	0.715	0.000	2
495	1	42	VAL	HG12	H	0.715	0.000	2
496	1	42	VAL	HG13	H	0.715	0.000	2
497	1	42	VAL	HG21	H	0.628	0.002	2
498	1	42	VAL	HG22	H	0.628	0.002	2
499	1	42	VAL	HG23	H	0.628	0.002	2
500	1	42	VAL	C	C	177.041	0.024	1
501	1	42	VAL	CA	C	64.211	0.026	1
502	1	42	VAL	CB	C	31.542	0.064	1
503	1	42	VAL	CG1	C	22.751	0.000	1
504	1	42	VAL	CG2	C	21.695	0.015	1
505	1	42	VAL	N	N	117.839	0.019	1
506	1	43	GLN	H	H	9.720	0.004	1
507	1	43	GLN	HA	H	4.570	0.011	1
508	1	43	GLN	HB2	H	1.811	0.004	2
509	1	43	GLN	HB3	H	1.954	0.012	2
510	1	43	GLN	HG2	H	2.198	0.005	2
511	1	43	GLN	HG3	H	2.086	0.003	2
512	1	43	GLN	HE21	H	7.493	0.000	2
513	1	43	GLN	HE22	H	6.870	0.000	2
514	1	43	GLN	C	C	174.455	0.005	1
515	1	43	GLN	CA	C	54.244	0.056	1
516	1	43	GLN	CB	C	31.870	0.061	1
517	1	43	GLN	CG	C	33.190	0.047	1
518	1	43	GLN	N	N	129.656	0.020	1
519	1	43	GLN	NE2	N	111.774	0.002	1
520	1	44	ILE	H	H	8.968	0.004	1
521	1	44	ILE	HA	H	4.132	0.011	1
522	1	44	ILE	HB	H	2.149	0.005	1
523	1	44	ILE	HG12	H	1.404	0.019	2
524	1	44	ILE	HG13	H	1.404	0.019	2
525	1	44	ILE	HG21	H	0.861	0.005	1
526	1	44	ILE	HG22	H	0.861	0.005	1
527	1	44	ILE	HG23	H	0.861	0.005	1
528	1	44	ILE	HD11	H	0.671	0.005	1
529	1	44	ILE	HD12	H	0.671	0.005	1
530	1	44	ILE	HD13	H	0.671	0.005	1
531	1	44	ILE	C	C	176.227	0.011	1
532	1	44	ILE	CA	C	60.631	0.020	1
533	1	44	ILE	CB	C	35.559	0.037	1
534	1	44	ILE	CG1	C	27.394	0.028	1
535	1	44	ILE	CG2	C	17.759	0.018	1
536	1	44	ILE	CD1	C	10.626	0.026	1
537	1	44	ILE	N	N	124.971	0.021	1
538	1	45	LEU	H	H	9.122	0.005	1
539	1	45	LEU	HA	H	4.339	0.003	1
540	1	45	LEU	HB2	H	1.505	0.006	2
541	1	45	LEU	HB3	H	1.505	0.006	2
542	1	45	LEU	HG	H	1.670	0.001	1
543	1	45	LEU	HD11	H	0.860	0.003	2
544	1	45	LEU	HD12	H	0.860	0.003	2
545	1	45	LEU	HD13	H	0.860	0.003	2
546	1	45	LEU	HD21	H	0.775	0.002	2
547	1	45	LEU	HD22	H	0.775	0.002	2
548	1	45	LEU	HD23	H	0.775	0.002	2
549	1	45	LEU	C	C	177.841	0.019	1
550	1	45	LEU	CA	C	56.237	0.054	1
551	1	45	LEU	CB	C	42.570	0.064	1
552	1	45	LEU	CG	C	26.643	0.000	1
553	1	45	LEU	CD1	C	26.249	0.000	1
554	1	45	LEU	CD2	C	21.901	0.000	1
555	1	45	LEU	N	N	130.650	0.018	1
556	1	46	SER	H	H	7.735	0.004	1
557	1	46	SER	HA	H	4.525	0.006	1
558	1	46	SER	HB2	H	3.724	0.008	2
559	1	46	SER	HB3	H	3.814	0.007	2
560	1	46	SER	C	C	172.154	0.014	1
561	1	46	SER	CA	C	57.702	0.025	1
562	1	46	SER	CB	C	64.672	0.060	1
563	1	46	SER	N	N	110.855	0.033	1
564	1	47	ALA	H	H	8.454	0.005	1
565	1	47	ALA	HA	H	5.052	0.005	1
566	1	47	ALA	HB1	H	1.429	0.003	1
567	1	47	ALA	HB2	H	1.429	0.003	1
568	1	47	ALA	HB3	H	1.429	0.003	1
569	1	47	ALA	C	C	174.687	0.039	1
570	1	47	ALA	CA	C	52.257	0.014	1
571	1	47	ALA	CB	C	22.293	0.067	1
572	1	47	ALA	N	N	126.798	0.032	1
573	1	48	GLN	H	H	8.523	0.005	1
574	1	48	GLN	HA	H	4.762	0.004	1
575	1	48	GLN	HB2	H	2.030	0.002	2
576	1	48	GLN	HB3	H	2.030	0.002	2
577	1	48	GLN	HG2	H	2.315	0.006	2
578	1	48	GLN	HG3	H	2.315	0.006	2
579	1	48	GLN	HE21	H	7.566	0.000	2
580	1	48	GLN	HE22	H	6.910	0.000	2
581	1	48	GLN	C	C	173.779	0.000	1
582	1	48	GLN	CA	C	52.254	0.083	1
583	1	48	GLN	CB	C	32.312	0.013	1
584	1	48	GLN	CG	C	33.562	0.000	1
585	1	48	GLN	N	N	121.904	0.028	1
586	1	48	GLN	NE2	N	112.039	0.006	1
587	1	49	PRO	HA	H	4.868	0.004	1
588	1	49	PRO	HB2	H	2.493	0.005	2
589	1	49	PRO	HB3	H	1.998	0.002	2
590	1	49	PRO	HG2	H	1.716	0.004	2
591	1	49	PRO	HG3	H	1.994	0.001	2
592	1	49	PRO	HD2	H	3.662	0.006	2
593	1	49	PRO	HD3	H	3.861	0.006	2
594	1	49	PRO	C	C	175.270	0.017	1
595	1	49	PRO	CA	C	63.190	0.021	1
596	1	49	PRO	CB	C	34.307	0.038	1
597	1	49	PRO	CG	C	25.408	0.064	1
598	1	49	PRO	CD	C	50.589	0.010	1
599	1	50	ALA	H	H	8.540	0.005	1
600	1	50	ALA	HA	H	4.063	0.008	1
601	1	50	ALA	HB1	H	1.414	0.009	1
602	1	50	ALA	HB2	H	1.414	0.009	1
603	1	50	ALA	HB3	H	1.414	0.009	1
604	1	50	ALA	C	C	177.403	0.019	1
605	1	50	ALA	CA	C	52.459	0.023	1
606	1	50	ALA	CB	C	20.101	0.074	1
607	1	50	ALA	N	N	122.512	0.027	1
608	1	51	ASN	H	H	9.983	0.006	1
609	1	51	ASN	HA	H	4.335	0.007	1
610	1	51	ASN	HB2	H	2.870	0.005	2
611	1	51	ASN	HB3	H	2.870	0.005	2
612	1	51	ASN	HD21	H	7.570	0.000	2
613	1	51	ASN	HD22	H	6.941	0.000	2
614	1	51	ASN	C	C	174.600	0.010	1
615	1	51	ASN	CA	C	54.460	0.055	1
616	1	51	ASN	CB	C	36.584	0.043	1
617	1	51	ASN	N	N	117.952	0.034	1
618	1	51	ASN	ND2	N	114.323	0.000	1
619	1	52	MET	H	H	8.488	0.007	1
620	1	52	MET	HA	H	4.398	0.000	1
621	1	52	MET	HB2	H	0.978	0.004	2
622	1	52	MET	HB3	H	1.397	0.000	2
623	1	52	MET	HG2	H	0.990	0.001	2
624	1	52	MET	HG3	H	1.479	0.002	2
625	1	52	MET	HE1	H	1.740	0.000	1
626	1	52	MET	HE2	H	1.740	0.000	1
627	1	52	MET	HE3	H	1.740	0.000	1
628	1	52	MET	C	C	175.588	0.015	1
629	1	52	MET	CA	C	56.347	0.057	1
630	1	52	MET	CB	C	33.967	0.026	1
631	1	52	MET	CG	C	31.392	0.035	1
632	1	52	MET	CE	C	16.373	0.000	1
633	1	52	MET	N	N	117.748	0.030	1
634	1	53	PHE	H	H	9.111	0.006	1
635	1	53	PHE	HA	H	4.242	0.006	1
636	1	53	PHE	HB2	H	2.349	0.003	2
637	1	53	PHE	HB3	H	2.763	0.009	2
638	1	53	PHE	HD1	H	6.113	0.002	1
639	1	53	PHE	HD2	H	6.113	0.002	1
640	1	53	PHE	HE1	H	6.471	0.002	1
641	1	53	PHE	HE2	H	6.471	0.002	1
642	1	53	PHE	C	C	175.860	0.069	1
643	1	53	PHE	CA	C	58.603	0.029	1
644	1	53	PHE	CB	C	41.466	0.037	1
645	1	53	PHE	CD1	C	130.942	0.000	1
646	1	53	PHE	CD2	C	130.942	0.000	1
647	1	53	PHE	CE1	C	130.003	0.000	1
648	1	53	PHE	CE2	C	130.003	0.000	1
649	1	53	PHE	N	N	116.957	0.042	1
650	1	54	GLU	H	H	10.108	0.007	1
651	1	54	GLU	HA	H	3.447	0.002	1
652	1	54	GLU	HB2	H	1.769	0.001	2
653	1	54	GLU	HB3	H	2.136	0.008	2
654	1	54	GLU	HG2	H	2.737	0.002	2
655	1	54	GLU	HG3	H	1.980	0.003	2
656	1	54	GLU	C	C	177.884	0.011	1
657	1	54	GLU	CA	C	63.425	0.000	1
658	1	54	GLU	CB	C	28.775	0.091	1
659	1	54	GLU	CG	C	38.070	0.009	1
660	1	54	GLU	N	N	120.339	0.032	1
661	1	55	ARG	H	H	8.327	0.002	1
662	1	55	ARG	HA	H	3.838	0.004	1
663	1	55	ARG	HB2	H	1.770	0.005	2
664	1	55	ARG	HB3	H	1.769	0.009	2
665	1	55	ARG	HG2	H	1.597	0.000	2
666	1	55	ARG	HG3	H	1.600	0.004	2
667	1	55	ARG	HD2	H	3.144	0.003	2
668	1	55	ARG	HD3	H	3.144	0.003	2
669	1	55	ARG	C	C	178.723	0.000	1
670	1	55	ARG	CA	C	59.524	0.000	1
671	1	55	ARG	CB	C	29.279	0.066	1
672	1	55	ARG	CG	C	26.908	0.026	1
673	1	55	ARG	CD	C	43.230	0.052	1
674	1	55	ARG	N	N	118.301	0.045	1
675	1	56	GLU	H	H	8.325	0.005	1
676	1	56	GLU	HA	H	4.246	0.004	1
677	1	56	GLU	HB2	H	2.431	0.006	2
678	1	56	GLU	HB3	H	2.007	0.005	2
679	1	56	GLU	HG2	H	2.321	0.002	2
680	1	56	GLU	HG3	H	2.423	0.000	2
681	1	56	GLU	C	C	181.488	0.016	1
682	1	56	GLU	CA	C	59.068	0.087	1
683	1	56	GLU	CB	C	28.203	0.047	1
684	1	56	GLU	CG	C	36.350	0.011	1
685	1	56	GLU	N	N	118.485	0.022	1
686	1	57	VAL	H	H	8.257	0.005	1
687	1	57	VAL	HA	H	3.382	0.011	1
688	1	57	VAL	HB	H	2.228	0.003	1
689	1	57	VAL	HG11	H	1.176	0.003	2
690	1	57	VAL	HG12	H	1.176	0.003	2
691	1	57	VAL	HG13	H	1.176	0.003	2
692	1	57	VAL	HG21	H	0.695	0.004	2
693	1	57	VAL	HG22	H	0.695	0.004	2
694	1	57	VAL	HG23	H	0.695	0.004	2
695	1	57	VAL	C	C	176.480	0.005	1
696	1	57	VAL	CA	C	68.161	0.019	1
697	1	57	VAL	CB	C	31.175	0.000	1
698	1	57	VAL	CG1	C	24.298	0.078	1
699	1	57	VAL	CG2	C	22.157	0.042	1
700	1	57	VAL	N	N	121.176	0.034	1
701	1	58	LYS	H	H	8.167	0.004	1
702	1	58	LYS	HA	H	3.526	0.007	1
703	1	58	LYS	HB2	H	1.736	0.001	2
704	1	58	LYS	HB3	H	1.736	0.001	2
705	1	58	LYS	HG2	H	1.110	0.003	2
706	1	58	LYS	HG3	H	1.539	0.013	2
707	1	58	LYS	HD2	H	1.568	0.001	2
708	1	58	LYS	HD3	H	1.567	0.001	2
709	1	58	LYS	HE2	H	2.701	0.007	2
710	1	58	LYS	HE3	H	2.704	0.007	2
711	1	58	LYS	C	C	179.152	0.037	1
712	1	58	LYS	CA	C	60.859	0.013	1
713	1	58	LYS	CB	C	32.088	0.077	1
714	1	58	LYS	CG	C	26.775	0.014	1
715	1	58	LYS	CD	C	29.573	0.027	1
716	1	58	LYS	CE	C	41.869	0.008	1
717	1	58	LYS	N	N	118.727	0.021	1
718	1	59	ASN	H	H	8.401	0.004	1
719	1	59	ASN	HA	H	4.284	0.003	1
720	1	59	ASN	HB2	H	2.774	0.007	2
721	1	59	ASN	HB3	H	2.774	0.007	2
722	1	59	ASN	HD21	H	7.550	0.000	2
723	1	59	ASN	HD22	H	6.775	0.000	2
724	1	59	ASN	C	C	177.795	0.025	1
725	1	59	ASN	CA	C	55.455	0.032	1
726	1	59	ASN	CB	C	37.845	0.056	1
727	1	59	ASN	N	N	116.349	0.023	1
728	1	59	ASN	ND2	N	110.817	0.005	1
729	1	60	ALA	H	H	7.580	0.006	1
730	1	60	ALA	HA	H	4.055	0.001	1
731	1	60	ALA	HB1	H	1.373	0.001	1
732	1	60	ALA	HB2	H	1.373	0.001	1
733	1	60	ALA	HB3	H	1.373	0.001	1
734	1	60	ALA	C	C	179.648	0.012	1
735	1	60	ALA	CA	C	54.814	0.022	1
736	1	60	ALA	CB	C	18.157	0.037	1
737	1	60	ALA	N	N	121.028	0.022	1
738	1	61	MET	H	H	7.642	0.005	1
739	1	61	MET	HA	H	1.894	0.001	1
740	1	61	MET	HB2	H	1.091	0.001	2
741	1	61	MET	HB3	H	1.189	0.009	2
742	1	61	MET	HG2	H	-0.439	0.005	2
743	1	61	MET	HG3	H	1.816	0.005	2
744	1	61	MET	HE1	H	0.786	0.000	1
745	1	61	MET	HE2	H	0.786	0.000	1
746	1	61	MET	HE3	H	0.786	0.000	1
747	1	61	MET	C	C	177.904	0.024	1
748	1	61	MET	CA	C	58.682	0.031	1
749	1	61	MET	CB	C	33.090	0.092	1
750	1	61	MET	CG	C	31.225	0.008	1
751	1	61	MET	CE	C	16.996	0.000	1
752	1	61	MET	N	N	114.860	0.026	1
753	1	62	ARG	H	H	7.061	0.004	1
754	1	62	ARG	HA	H	4.123	0.006	1
755	1	62	ARG	HB2	H	1.886	0.000	2
756	1	62	ARG	HB3	H	1.851	0.005	2
757	1	62	ARG	HG2	H	1.821	0.006	2
758	1	62	ARG	HG3	H	1.712	0.007	2
759	1	62	ARG	HD2	H	3.210	0.005	2
760	1	62	ARG	HD3	H	3.214	0.006	2
761	1	62	ARG	C	C	177.649	0.042	1
762	1	62	ARG	CA	C	58.513	0.045	1
763	1	62	ARG	CB	C	30.327	0.047	1
764	1	62	ARG	CG	C	27.631	0.002	1
765	1	62	ARG	CD	C	43.446	0.007	1
766	1	62	ARG	N	N	115.688	0.032	1
767	1	63	LYS	H	H	7.588	0.007	1
768	1	63	LYS	HA	H	4.415	0.006	1
769	1	63	LYS	HB2	H	2.012	0.001	2
770	1	63	LYS	HB3	H	2.092	0.000	2
771	1	63	LYS	HG2	H	1.405	0.004	2
772	1	63	LYS	HG3	H	1.525	0.008	2
773	1	63	LYS	HD2	H	1.697	0.004	2
774	1	63	LYS	HD3	H	1.657	0.002	2
775	1	63	LYS	HE2	H	2.969	0.004	2
776	1	63	LYS	HE3	H	2.969	0.004	2
777	1	63	LYS	C	C	177.263	0.034	1
778	1	63	LYS	CA	C	55.861	0.055	1
779	1	63	LYS	CB	C	33.335	0.043	1
780	1	63	LYS	CG	C	25.298	0.056	1
781	1	63	LYS	CD	C	29.287	0.000	1
782	1	63	LYS	CE	C	42.194	0.017	1
783	1	63	LYS	N	N	115.569	0.025	1
784	1	64	TRP	H	H	7.640	0.004	1
785	1	64	TRP	HA	H	4.999	0.010	1
786	1	64	TRP	HB2	H	3.575	0.005	2
787	1	64	TRP	HB3	H	3.086	0.008	2
788	1	64	TRP	HD1	H	7.296	0.003	1
789	1	64	TRP	HE1	H	10.542	0.000	1
790	1	64	TRP	HE3	H	7.333	0.000	1
791	1	64	TRP	HZ2	H	6.911	0.000	1
792	1	64	TRP	HZ3	H	6.685	0.000	1
793	1	64	TRP	HH2	H	6.837	0.000	1
794	1	64	TRP	C	C	176.729	0.027	1
795	1	64	TRP	CA	C	57.186	0.027	1
796	1	64	TRP	CB	C	30.388	0.039	1
797	1	64	TRP	CD1	C	127.543	0.000	1
798	1	64	TRP	CE3	C	120.636	0.000	1
799	1	64	TRP	CZ2	C	113.392	0.000	1
800	1	64	TRP	CZ3	C	121.615	0.000	1
801	1	64	TRP	CH2	C	123.574	0.000	1
802	1	64	TRP	N	N	121.708	0.017	1
803	1	64	TRP	NE1	N	128.342	0.000	1
804	1	65	ARG	H	H	9.173	0.005	1
805	1	65	ARG	HA	H	5.196	0.007	1
806	1	65	ARG	HB2	H	1.799	0.013	2
807	1	65	ARG	HB3	H	1.839	0.000	2
808	1	65	ARG	HG2	H	1.730	0.001	2
809	1	65	ARG	HG3	H	1.730	0.001	2
810	1	65	ARG	HD2	H	3.358	0.001	2
811	1	65	ARG	HD3	H	3.291	0.008	2
812	1	65	ARG	C	C	174.239	0.012	1
813	1	65	ARG	CA	C	54.680	0.064	1
814	1	65	ARG	CB	C	34.026	0.050	1
815	1	65	ARG	CG	C	26.934	0.064	1
816	1	65	ARG	CD	C	43.091	0.017	1
817	1	65	ARG	N	N	119.903	0.019	1
818	1	66	TYR	H	H	9.555	0.004	1
819	1	66	TYR	HA	H	4.743	0.002	1
820	1	66	TYR	HB2	H	3.248	0.006	2
821	1	66	TYR	HB3	H	2.527	0.002	2
822	1	66	TYR	HD1	H	6.861	0.002	1
823	1	66	TYR	HD2	H	6.861	0.002	1
824	1	66	TYR	HE1	H	6.667	0.002	1
825	1	66	TYR	HE2	H	6.667	0.002	1
826	1	66	TYR	C	C	174.541	0.044	1
827	1	66	TYR	CA	C	56.492	0.034	1
828	1	66	TYR	CB	C	41.950	0.032	1
829	1	66	TYR	CD1	C	132.628	0.000	1
830	1	66	TYR	CD2	C	132.628	0.000	1
831	1	66	TYR	CE1	C	117.125	0.000	1
832	1	66	TYR	CE2	C	117.125	0.000	1
833	1	66	TYR	N	N	126.910	0.026	1
834	1	67	GLU	H	H	8.807	0.005	1
835	1	67	GLU	HA	H	4.064	0.006	1
836	1	67	GLU	HB2	H	1.995	0.004	2
837	1	67	GLU	HB3	H	1.995	0.004	2
838	1	67	GLU	HG2	H	2.429	0.004	2
839	1	67	GLU	HG3	H	2.312	0.010	2
840	1	67	GLU	C	C	176.345	0.018	1
841	1	67	GLU	CA	C	57.363	0.026	1
842	1	67	GLU	CB	C	31.089	0.036	1
843	1	67	GLU	CG	C	36.376	0.053	1
844	1	67	GLU	N	N	120.235	0.014	1
845	1	68	ALA	H	H	8.661	0.005	1
846	1	68	ALA	HA	H	4.058	0.004	1
847	1	68	ALA	HB1	H	1.425	0.003	1
848	1	68	ALA	HB2	H	1.425	0.003	1
849	1	68	ALA	HB3	H	1.425	0.003	1
850	1	68	ALA	C	C	177.843	0.029	1
851	1	68	ALA	CA	C	52.457	0.017	1
852	1	68	ALA	CB	C	19.426	0.031	1
853	1	68	ALA	N	N	127.605	0.020	1
854	1	69	GLY	H	H	9.008	0.004	1
855	1	69	GLY	HA2	H	3.793	0.003	2
856	1	69	GLY	HA3	H	4.119	0.005	2
857	1	69	GLY	C	C	174.225	0.009	1
858	1	69	GLY	CA	C	45.508	0.026	1
859	1	69	GLY	N	N	107.947	0.013	1
860	1	70	LYS	H	H	8.721	0.004	1
861	1	70	LYS	HA	H	4.651	0.004	1
862	1	70	LYS	HB2	H	1.631	0.006	2
863	1	70	LYS	HB3	H	1.496	0.011	2
864	1	70	LYS	HG2	H	1.195	0.002	2
865	1	70	LYS	HG3	H	1.196	0.003	2
866	1	70	LYS	HD2	H	1.458	0.004	2
867	1	70	LYS	HD3	H	1.610	0.001	2
868	1	70	LYS	HE2	H	2.894	0.004	2
869	1	70	LYS	HE3	H	2.894	0.004	2
870	1	70	LYS	C	C	171.679	0.000	1
871	1	70	LYS	CA	C	53.994	0.077	1
872	1	70	LYS	CB	C	34.329	0.045	1
873	1	70	LYS	CG	C	24.881	0.010	1
874	1	70	LYS	CD	C	29.719	0.033	1
875	1	70	LYS	CE	C	42.471	0.036	1
876	1	70	LYS	N	N	121.816	0.013	1
877	1	71	PRO	HA	H	4.126	0.000	1
878	1	71	PRO	HB2	H	1.818	0.003	2
879	1	71	PRO	HB3	H	2.009	0.004	2
880	1	71	PRO	HG2	H	1.846	0.003	2
881	1	71	PRO	HG3	H	1.840	0.009	2
882	1	71	PRO	HD2	H	3.590	0.006	2
883	1	71	PRO	HD3	H	3.121	0.010	2
884	1	71	PRO	C	C	177.175	0.035	1
885	1	71	PRO	CA	C	62.659	0.012	1
886	1	71	PRO	CB	C	33.378	0.086	1
887	1	71	PRO	CG	C	26.934	0.027	1
888	1	71	PRO	CD	C	50.028	0.076	1
889	1	72	GLY	H	H	8.457	0.007	1
890	1	72	GLY	HA2	H	3.475	0.004	2
891	1	72	GLY	HA3	H	4.279	0.007	2
892	1	72	GLY	C	C	171.177	0.015	1
893	1	72	GLY	CA	C	45.796	0.032	1
894	1	72	GLY	N	N	104.661	0.039	1
895	1	73	SER	H	H	8.536	0.004	1
896	1	73	SER	HA	H	5.065	0.003	1
897	1	73	SER	HB2	H	3.624	0.002	2
898	1	73	SER	HB3	H	3.587	0.001	2
899	1	73	SER	C	C	174.795	0.008	1
900	1	73	SER	CA	C	56.070	0.085	1
901	1	73	SER	CB	C	65.178	0.036	1
902	1	73	SER	N	N	116.338	0.040	1
903	1	74	GLY	H	H	9.006	0.005	1
904	1	74	GLY	HA2	H	3.469	0.003	2
905	1	74	GLY	HA3	H	3.652	0.002	2
906	1	74	GLY	C	C	175.122	0.039	1
907	1	74	GLY	CA	C	47.618	0.056	1
908	1	74	GLY	N	N	114.884	0.020	1
909	1	75	LEU	H	H	8.306	0.004	1
910	1	75	LEU	HA	H	3.844	0.004	1
911	1	75	LEU	HB2	H	0.938	0.006	2
912	1	75	LEU	HB3	H	-0.076	0.004	2
913	1	75	LEU	HG	H	1.348	0.000	1
914	1	75	LEU	HD11	H	0.487	0.002	2
915	1	75	LEU	HD12	H	0.487	0.002	2
916	1	75	LEU	HD13	H	0.487	0.002	2
917	1	75	LEU	HD21	H	0.618	0.005	2
918	1	75	LEU	HD22	H	0.618	0.005	2
919	1	75	LEU	HD23	H	0.618	0.005	2
920	1	75	LEU	C	C	174.976	0.023	1
921	1	75	LEU	CA	C	57.046	0.042	1
922	1	75	LEU	CB	C	41.304	0.050	1
923	1	75	LEU	CG	C	29.908	0.013	1
924	1	75	LEU	CD1	C	25.088	0.075	1
925	1	75	LEU	CD2	C	25.686	0.002	1
926	1	75	LEU	N	N	123.919	0.016	1
927	1	76	VAL	H	H	7.716	0.004	1
928	1	76	VAL	HA	H	5.525	0.000	1
929	1	76	VAL	HB	H	1.746	0.005	1
930	1	76	VAL	HG11	H	0.798	0.004	2
931	1	76	VAL	HG12	H	0.798	0.004	2
932	1	76	VAL	HG13	H	0.798	0.004	2
933	1	76	VAL	HG21	H	0.798	0.004	2
934	1	76	VAL	HG22	H	0.798	0.004	2
935	1	76	VAL	HG23	H	0.798	0.004	2
936	1	76	VAL	C	C	177.596	0.023	1
937	1	76	VAL	CA	C	60.303	0.021	1
938	1	76	VAL	CB	C	35.516	0.047	1
939	1	76	VAL	CG1	C	21.551	0.011	1
940	1	76	VAL	CG2	C	21.551	0.011	1
941	1	76	VAL	N	N	115.937	0.030	1
942	1	77	VAL	H	H	9.027	0.006	1
943	1	77	VAL	HA	H	4.882	0.010	1
944	1	77	VAL	HB	H	2.248	0.003	1
945	1	77	VAL	HG11	H	1.139	0.008	2
946	1	77	VAL	HG12	H	1.139	0.008	2
947	1	77	VAL	HG13	H	1.139	0.008	2
948	1	77	VAL	HG21	H	1.115	0.005	2
949	1	77	VAL	HG22	H	1.115	0.005	2
950	1	77	VAL	HG23	H	1.115	0.005	2
951	1	77	VAL	C	C	172.816	0.009	1
952	1	77	VAL	CA	C	59.676	0.092	1
953	1	77	VAL	CB	C	36.625	0.023	1
954	1	77	VAL	CG1	C	22.068	0.003	1
955	1	77	VAL	CG2	C	21.008	0.025	1
956	1	77	VAL	N	N	121.824	0.023	1
957	1	78	ASN	H	H	8.914	0.004	1
958	1	78	ASN	HA	H	5.547	0.002	1
959	1	78	ASN	HB2	H	2.709	0.002	2
960	1	78	ASN	HB3	H	2.380	0.006	2
961	1	78	ASN	HD21	H	7.687	0.000	2
962	1	78	ASN	HD22	H	6.642	0.000	2
963	1	78	ASN	C	C	173.700	0.044	1
964	1	78	ASN	CA	C	52.306	0.072	1
965	1	78	ASN	CB	C	42.038	0.010	1
966	1	78	ASN	N	N	121.735	0.024	1
967	1	78	ASN	ND2	N	113.298	0.006	1
968	1	79	ILE	H	H	9.390	0.005	1
969	1	79	ILE	HA	H	4.801	0.010	1
970	1	79	ILE	HB	H	1.670	0.004	1
971	1	79	ILE	HG12	H	1.575	0.002	2
972	1	79	ILE	HG13	H	1.038	0.004	2
973	1	79	ILE	HG21	H	0.193	0.000	1
974	1	79	ILE	HG22	H	0.193	0.000	1
975	1	79	ILE	HG23	H	0.193	0.000	1
976	1	79	ILE	HD11	H	0.825	0.003	1
977	1	79	ILE	HD12	H	0.825	0.003	1
978	1	79	ILE	HD13	H	0.825	0.003	1
979	1	79	ILE	C	C	174.381	0.019	1
980	1	79	ILE	CA	C	60.163	0.026	1
981	1	79	ILE	CB	C	39.520	0.055	1
982	1	79	ILE	CG1	C	28.160	0.017	1
983	1	79	ILE	CG2	C	18.565	0.029	1
984	1	79	ILE	CD1	C	14.398	0.019	1
985	1	79	ILE	N	N	122.713	0.024	1
986	1	80	ILE	H	H	8.881	0.005	1
987	1	80	ILE	HA	H	4.507	0.000	1
988	1	80	ILE	HB	H	1.664	0.002	1
989	1	80	ILE	HG12	H	0.977	0.004	2
990	1	80	ILE	HG13	H	1.324	0.005	2
991	1	80	ILE	HG21	H	0.773	0.006	1
992	1	80	ILE	HG22	H	0.773	0.006	1
993	1	80	ILE	HG23	H	0.773	0.006	1
994	1	80	ILE	HD11	H	0.695	0.005	1
995	1	80	ILE	HD12	H	0.695	0.005	1
996	1	80	ILE	HD13	H	0.695	0.005	1
997	1	80	ILE	C	C	175.180	0.007	1
998	1	80	ILE	CA	C	60.092	0.039	1
999	1	80	ILE	CB	C	40.226	0.039	1
1000	1	80	ILE	CG1	C	28.144	0.023	1
1001	1	80	ILE	CG2	C	18.275	0.053	1
1002	1	80	ILE	CD1	C	13.473	0.055	1
1003	1	80	ILE	N	N	127.652	0.034	1
1004	1	81	PHE	H	H	8.921	0.004	1
1005	1	81	PHE	HA	H	4.500	0.004	1
1006	1	81	PHE	HB2	H	2.569	0.003	2
1007	1	81	PHE	HB3	H	1.983	0.006	2
1008	1	81	PHE	HD1	H	6.359	0.003	1
1009	1	81	PHE	HD2	H	6.359	0.003	1
1010	1	81	PHE	HE1	H	6.792	0.004	1
1011	1	81	PHE	HE2	H	6.792	0.004	1
1012	1	81	PHE	C	C	175.209	0.011	1
1013	1	81	PHE	CA	C	57.715	0.015	1
1014	1	81	PHE	CB	C	39.389	0.041	1
1015	1	81	PHE	CD1	C	131.621	0.000	1
1016	1	81	PHE	CD2	C	131.621	0.000	1
1017	1	81	PHE	CE1	C	130.125	0.000	1
1018	1	81	PHE	CE2	C	130.125	0.000	1
1019	1	81	PHE	N	N	126.594	0.026	1
1020	1	82	ARG	H	H	8.431	0.005	1
1021	1	82	ARG	HA	H	4.743	0.000	1
1022	1	82	ARG	HB2	H	1.851	0.004	2
1023	1	82	ARG	HB3	H	1.851	0.004	2
1024	1	82	ARG	HG2	H	1.781	0.000	2
1025	1	82	ARG	HG3	H	1.781	0.000	2
1026	1	82	ARG	HD2	H	3.093	0.007	2
1027	1	82	ARG	HD3	H	3.093	0.007	2
1028	1	82	ARG	C	C	177.247	0.004	1
1029	1	82	ARG	CA	C	54.868	0.025	1
1030	1	82	ARG	CB	C	32.486	0.007	1
1031	1	82	ARG	CG	C	27.722	0.028	1
1032	1	82	ARG	CD	C	43.355	0.033	1
1033	1	82	ARG	N	N	121.537	0.026	1
1034	1	83	LEU	H	H	9.217	0.005	1
1035	1	83	LEU	HA	H	3.959	0.003	1
1036	1	83	LEU	HB2	H	1.496	0.003	2
1037	1	83	LEU	HB3	H	1.584	0.000	2
1038	1	83	LEU	HG	H	1.686	0.005	1
1039	1	83	LEU	HD11	H	0.718	0.004	2
1040	1	83	LEU	HD12	H	0.718	0.004	2
1041	1	83	LEU	HD13	H	0.718	0.004	2
1042	1	83	LEU	HD21	H	0.800	0.003	2
1043	1	83	LEU	HD22	H	0.800	0.003	2
1044	1	83	LEU	HD23	H	0.800	0.003	2
1045	1	83	LEU	C	C	177.373	0.017	1
1046	1	83	LEU	CA	C	56.940	0.025	1
1047	1	83	LEU	CB	C	41.692	0.008	1
1048	1	83	LEU	CG	C	27.083	0.006	1
1049	1	83	LEU	CD1	C	23.771	0.000	1
1050	1	83	LEU	CD2	C	24.996	0.000	1
1051	1	83	LEU	N	N	121.171	0.026	1
1052	1	84	ASN	H	H	7.805	0.005	1
1053	1	84	ASN	HA	H	4.467	0.002	1
1054	1	84	ASN	HB2	H	3.114	0.003	2
1055	1	84	ASN	HB3	H	2.769	0.005	2
1056	1	84	ASN	HD21	H	7.619	0.000	2
1057	1	84	ASN	HD22	H	6.762	0.000	2
1058	1	84	ASN	C	C	175.754	0.031	1
1059	1	84	ASN	CA	C	52.918	0.065	1
1060	1	84	ASN	CB	C	37.063	0.032	1
1061	1	84	ASN	N	N	115.068	0.022	1
1062	1	84	ASN	ND2	N	110.992	0.002	1
1063	1	85	GLY	H	H	8.089	0.005	1
1064	1	85	GLY	HA2	H	3.264	0.005	2
1065	1	85	GLY	HA3	H	3.907	0.007	2
1066	1	85	GLY	C	C	173.832	0.022	1
1067	1	85	GLY	CA	C	45.395	0.016	1
1068	1	85	GLY	N	N	107.507	0.020	1
1069	1	86	THR	H	H	7.558	0.004	1
1070	1	86	THR	HA	H	4.551	0.000	1
1071	1	86	THR	HB	H	4.088	0.019	1
1072	1	86	THR	HG21	H	1.101	0.008	1
1073	1	86	THR	HG22	H	1.101	0.008	1
1074	1	86	THR	HG23	H	1.101	0.008	1
1075	1	86	THR	C	C	172.890	0.016	1
1076	1	86	THR	CA	C	60.892	0.020	1
1077	1	86	THR	CB	C	71.434	0.057	1
1078	1	86	THR	CG2	C	21.533	0.085	1
1079	1	86	THR	N	N	111.871	0.013	1
1080	1	87	ALA	H	H	8.397	0.005	1
1081	1	87	ALA	HA	H	4.938	0.008	1
1082	1	87	ALA	HB1	H	0.645	0.001	1
1083	1	87	ALA	HB2	H	0.645	0.001	1
1084	1	87	ALA	HB3	H	0.645	0.001	1
1085	1	87	ALA	C	C	176.151	0.007	1
1086	1	87	ALA	CA	C	50.637	0.037	1
1087	1	87	ALA	CB	C	20.309	0.073	1
1088	1	87	ALA	N	N	125.061	0.014	1
1089	1	88	GLN	H	H	8.617	0.005	1
1090	1	88	GLN	HA	H	4.437	0.001	1
1091	1	88	GLN	HB2	H	1.898	0.001	2
1092	1	88	GLN	HB3	H	1.825	0.004	2
1093	1	88	GLN	HG2	H	2.174	0.002	2
1094	1	88	GLN	HG3	H	2.174	0.002	2
1095	1	88	GLN	HE21	H	7.368	0.000	2
1096	1	88	GLN	HE22	H	6.840	0.000	2
1097	1	88	GLN	C	C	174.270	0.009	1
1098	1	88	GLN	CA	C	54.532	0.053	1
1099	1	88	GLN	CB	C	31.663	0.045	1
1100	1	88	GLN	CG	C	33.695	0.026	1
1101	1	88	GLN	N	N	120.787	0.015	1
1102	1	88	GLN	NE2	N	112.016	0.004	1
1103	1	89	ILE	H	H	8.483	0.005	1
1104	1	89	ILE	HA	H	4.481	0.000	1
1105	1	89	ILE	HB	H	1.587	0.016	1
1106	1	89	ILE	HG12	H	1.480	0.004	2
1107	1	89	ILE	HG13	H	0.868	0.005	2
1108	1	89	ILE	HG21	H	0.708	0.002	1
1109	1	89	ILE	HG22	H	0.708	0.002	1
1110	1	89	ILE	HG23	H	0.708	0.002	1
1111	1	89	ILE	HD11	H	0.649	0.004	1
1112	1	89	ILE	HD12	H	0.649	0.004	1
1113	1	89	ILE	HD13	H	0.649	0.004	1
1114	1	89	ILE	C	C	175.137	0.043	1
1115	1	89	ILE	CA	C	61.038	0.034	1
1116	1	89	ILE	CB	C	39.251	0.093	1
1117	1	89	ILE	CG1	C	27.858	0.057	1
1118	1	89	ILE	CG2	C	18.225	0.028	1
1119	1	89	ILE	CD1	C	14.983	0.010	1
1120	1	89	ILE	N	N	125.108	0.025	1
1121	1	90	GLU	H	H	9.035	0.004	1
1122	1	90	GLU	HA	H	4.279	0.005	1
1123	1	90	GLU	HB2	H	2.041	0.005	2
1124	1	90	GLU	HB3	H	1.842	0.005	2
1125	1	90	GLU	HG2	H	2.099	0.007	2
1126	1	90	GLU	HG3	H	2.099	0.007	2
1127	1	90	GLU	C	C	180.671	0.000	1
1128	1	90	GLU	CA	C	58.106	0.030	1
1129	1	90	GLU	CB	C	32.555	0.047	1
1130	1	90	GLU	CG	C	36.843	0.086	1
1131	1	90	GLU	N	N	133.431	0.037	1

Release date

2024-01-03

Citation

the C-terminal domain of TonB protein from Salmonella enterica
Iwai, H., Ciragan, A., Oeemig, J.S.

Related entities 1. Protein TonB, : 1 : 1 : 22 entities Detail

Interaction partners 1. Protein TonB, : 7 interactors Detail

More details for 7 interactors identified by 5 citations

Experiments performed 2 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	TonB-CTD(154-242)	[U-100% 13C; U-100% 15N]		1.1 (±0.2) mM

#	Name	Isotope labeling	Type	Concentration
1	TonB-CTD(154-242)	[U-100% 13C; U-100% 15N]		1.1 (±0.2) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34887_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr34887_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1131		98.9 (chain: 1, length: 90)
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: 90, Sequence coverage: 98.9%
- Total number of assignments
  - ¹H chemical shifts: 642
  - ¹³C chemical shifts: 394
  - ¹⁵N chemical shifts: 95
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	559	540	96.6
¹³C chemical shifts	401	394	98.3
¹⁵N chemical shifts	108	95	88.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	182	178	97.8
¹³C chemical shifts	180	178	98.9
¹⁵N chemical shifts	85	82	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	377	362	96.0
¹³C chemical shifts	221	216	97.7
¹⁵N chemical shifts	23	13	56.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	51	100.0
¹³C chemical shifts	51	51	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	26	89.7
¹³C chemical shifts	28	25	89.3
¹⁵N chemical shifts	1	1	100.0

Keywords PROTEIN, TRANSPORT PROTEIN, TonB

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Found 1 Document (0.498 seconds)

BMRB: 34887

Related entities 1. Protein TonB, : 1 : 1 : 22 entities Detail

Interaction partners 1. Protein TonB, : 7 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail