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BMRB: 34698

7QRI

Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe

Authors

Vedel, I.M., Prestel, A., Harris, P., Peters, G.H.J., Kragelund, B.B.

Assembly

Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4)

Entity

1. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity 1 (polymer), 100 monomers, 11266.72 × 2 Da Detail

GPGNKGSSKR EAATESGKTA VVFSLKNEVG GLVKALRLFQ EKRVNMVHIE SRKSRRRSSE VEIFVDCECG KTEFNELIQL LKFQTTIVTL NPPENIWTEE

2. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity PHE (non-polymer), 1 monomers, 165.189 × 2 Da

Total weight

22863.818 Da

Max. entity weight

11266.72 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemical Shifts 1

¹H: 479, ¹³C: 334, ¹⁵N: 75 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	9	LYS	C	C	176.629	0.001	1
2	1	9	LYS	CA	C	56.645	0.004	1
3	1	9	LYS	CB	C	32.959	0.028	1
4	1	9	LYS	CG	C	24.772	0.008	1
5	1	10	ARG	H	H	8.319	0.001	1
6	1	10	ARG	HA	H	4.3	0.002	1
7	1	10	ARG	HB2	H	1.756	0.003	2
8	1	10	ARG	HB3	H	1.83	0.003	2
9	1	10	ARG	HG2	H	1.605	0.003	2
10	1	10	ARG	HG3	H	1.636	0.003	2
11	1	10	ARG	HD2	H	3.191	0.003	1
12	1	10	ARG	C	C	176.406	0.023	1
13	1	10	ARG	CA	C	56.369	0.063	1
14	1	10	ARG	CB	C	30.795	0.023	1
15	1	10	ARG	CG	C	27.109	0.008	1
16	1	10	ARG	CD	C	43.312	0.024	1
17	1	10	ARG	N	N	122.36	0.014	1
18	1	11	GLU	H	H	8.426	0.001	1
19	1	11	GLU	C	C	176.182	0.006	1
20	1	11	GLU	CA	C	56.602	0.045	1
21	1	11	GLU	CB	C	30.279	0.088	1
22	1	11	GLU	N	N	122.343	0.013	1
23	1	12	ALA	H	H	8.294	0.001	1
24	1	12	ALA	HA	H	4.298	0.003	1
25	1	12	ALA	HB1	H	1.392	0.001	1
26	1	12	ALA	HB2	H	1.392	0.001	1
27	1	12	ALA	HB3	H	1.392	0.001	1
28	1	12	ALA	C	C	177.549	0.007	1
29	1	12	ALA	CA	C	52.545	0.063	1
30	1	12	ALA	CB	C	19.347	0.033	1
31	1	12	ALA	N	N	125.114	0.008	1
32	1	13	ALA	H	H	8.308	0.001	1
33	1	13	ALA	HA	H	4.366	0.002	1
34	1	13	ALA	HB1	H	1.42	0.004	1
35	1	13	ALA	HB2	H	1.42	0.004	1
36	1	13	ALA	HB3	H	1.42	0.004	1
37	1	13	ALA	C	C	178.076	0.008	1
38	1	13	ALA	CA	C	52.638	0.066	1
39	1	13	ALA	CB	C	19.294	0.053	1
40	1	13	ALA	N	N	123.324	0.031	1
41	1	14	THR	H	H	8.069	0.002	1
42	1	14	THR	C	C	174.778	0.023	1
43	1	14	THR	CA	C	61.935	0.027	1
44	1	14	THR	CB	C	69.871	0.064	1
45	1	14	THR	N	N	112.904	0.009	1
46	1	15	GLU	H	H	8.39	0.002	1
47	1	15	GLU	C	C	176.505	0	1
48	1	15	GLU	CA	C	56.584	0	1
49	1	15	GLU	CB	C	30.394	0	1
50	1	15	GLU	N	N	123.139	0.037	1
51	1	17	GLY	HA2	H	3.99	0	1
52	1	17	GLY	HA3	H	3.99	0	1
53	1	17	GLY	C	C	173.72	0.006	1
54	1	17	GLY	CA	C	45.442	0.02	1
55	1	18	LYS	H	H	8.047	0.002	1
56	1	18	LYS	HA	H	4.414	0.002	1
57	1	18	LYS	HB2	H	1.812	0.008	2
58	1	18	LYS	HB3	H	1.737	0.004	2
59	1	18	LYS	HE2	H	2.948	0.001	1
60	1	18	LYS	C	C	176.446	0.009	1
61	1	18	LYS	CA	C	56.176	0.055	1
62	1	18	LYS	CB	C	33.413	0.027	1
63	1	18	LYS	CG	C	24.705	0.012	1
64	1	18	LYS	CD	C	28.916	0.021	1
65	1	18	LYS	CE	C	41.993	0.018	1
66	1	18	LYS	N	N	120.728	0.037	1
67	1	19	THR	H	H	8.655	0.002	1
68	1	19	THR	HA	H	3.417	0.003	1
69	1	19	THR	HB	H	3.078	0.005	1
70	1	19	THR	HG21	H	0.5	0.001	1
71	1	19	THR	HG22	H	0.5	0.001	1
72	1	19	THR	HG23	H	0.5	0.001	1
73	1	19	THR	C	C	171.982	0.011	1
74	1	19	THR	CA	C	58.578	0.041	1
75	1	19	THR	CB	C	68.694	0.069	1
76	1	19	THR	CG2	C	20.389	0.024	1
77	1	19	THR	N	N	116.332	0.036	1
78	1	20	ALA	H	H	7.921	0.003	1
79	1	20	ALA	HA	H	5.291	0.002	1
80	1	20	ALA	HB1	H	1.391	0.001	1
81	1	20	ALA	HB2	H	1.391	0.001	1
82	1	20	ALA	HB3	H	1.391	0.001	1
83	1	20	ALA	C	C	175.105	0	1
84	1	20	ALA	CA	C	50.477	0.082	1
85	1	20	ALA	CB	C	23.354	0.047	1
86	1	20	ALA	N	N	125.343	0.04	1
87	1	21	VAL	H	H	8.756	0.001	1
88	1	21	VAL	HA	H	5.096	0.007	1
89	1	21	VAL	HB	H	2.339	0.003	1
90	1	21	VAL	HG11	H	1.118	0	2
91	1	21	VAL	HG12	H	1.118	0	2
92	1	21	VAL	HG13	H	1.118	0	2
93	1	21	VAL	HG21	H	1.126	0.001	2
94	1	21	VAL	HG22	H	1.126	0.001	2
95	1	21	VAL	HG23	H	1.126	0.001	2
96	1	21	VAL	C	C	171.84	0	1
97	1	21	VAL	CA	C	59.412	0.027	1
98	1	21	VAL	CB	C	35.733	0.018	1
99	1	21	VAL	CG1	C	18.395	0	2
100	1	21	VAL	CG2	C	23.052	0	2
101	1	21	VAL	N	N	115.901	0.024	1
102	1	22	VAL	H	H	8.337	0.002	1
103	1	22	VAL	HA	H	5.596	0.005	1
104	1	22	VAL	HB	H	1.928	0.004	1
105	1	22	VAL	HG11	H	0.908	0.005	2
106	1	22	VAL	HG12	H	0.908	0.005	2
107	1	22	VAL	HG13	H	0.908	0.005	2
108	1	22	VAL	HG21	H	0.993	0.003	2
109	1	22	VAL	HG22	H	0.993	0.003	2
110	1	22	VAL	HG23	H	0.993	0.003	2
111	1	22	VAL	C	C	175.963	0.003	1
112	1	22	VAL	CA	C	60.332	0.075	1
113	1	22	VAL	CB	C	33.992	0.046	1
114	1	22	VAL	CG1	C	22.12	0.018	2
115	1	22	VAL	CG2	C	21.158	0	2
116	1	22	VAL	N	N	123.669	0.054	1
117	1	23	PHE	H	H	9.081	0.001	1
118	1	23	PHE	HA	H	5.693	0.002	1
119	1	23	PHE	HB2	H	2.749	0	2
120	1	23	PHE	HB3	H	3.268	0	2
121	1	23	PHE	CA	C	54.532	0.008	1
122	1	23	PHE	CB	C	42.166	0.004	1
123	1	23	PHE	N	N	124.759	0.013	1
124	1	24	SER	H	H	9.697	0	1
125	1	24	SER	HA	H	5.681	0.003	1
126	1	24	SER	HB2	H	3.614	0.001	2
127	1	24	SER	HB3	H	3.765	0.001	2
128	1	24	SER	C	C	174.036	0	1
129	1	24	SER	CA	C	56.369	0.044	1
130	1	24	SER	CB	C	65.795	0	1
131	1	24	SER	N	N	115.847	0	1
132	1	25	LEU	H	H	8.954	0.003	1
133	1	25	LEU	HA	H	5.064	0.003	1
134	1	25	LEU	HB2	H	1.907	0.005	2
135	1	25	LEU	HB3	H	1.811	0.006	2
136	1	25	LEU	HD11	H	0.879	0.003	2
137	1	25	LEU	HD12	H	0.879	0.003	2
138	1	25	LEU	HD13	H	0.879	0.003	2
139	1	25	LEU	HD21	H	0.982	0	2
140	1	25	LEU	HD22	H	0.982	0	2
141	1	25	LEU	HD23	H	0.982	0	2
142	1	25	LEU	C	C	175.96	0.004	1
143	1	25	LEU	CA	C	53.503	0.043	1
144	1	25	LEU	CB	C	45.338	0.039	1
145	1	25	LEU	CD1	C	25.911	0	2
146	1	25	LEU	CD2	C	27.243	0	2
147	1	25	LEU	N	N	123.383	0.051	1
148	1	26	LYS	H	H	8.52	0.001	1
149	1	26	LYS	HA	H	4.374	0.003	1
150	1	26	LYS	HG2	H	1.44	0.001	2
151	1	26	LYS	HG3	H	1.587	0.003	2
152	1	26	LYS	C	C	177.688	0.008	1
153	1	26	LYS	CA	C	57.444	0.037	1
154	1	26	LYS	CB	C	32.485	0.079	1
155	1	26	LYS	CG	C	25.311	0.045	1
156	1	26	LYS	N	N	120.851	0.007	1
157	1	27	ASN	H	H	8.853	0.003	1
158	1	27	ASN	HB2	H	3.31	0.003	2
159	1	27	ASN	HB3	H	2.373	0.002	2
160	1	27	ASN	C	C	173.456	0.014	1
161	1	27	ASN	CA	C	52.784	0.07	1
162	1	27	ASN	CB	C	36.934	0.044	1
163	1	27	ASN	N	N	123.004	0.04	1
164	1	28	GLU	H	H	7.883	0.003	1
165	1	28	GLU	HB2	H	1.884	0.003	2
166	1	28	GLU	HB3	H	1.968	0.003	2
167	1	28	GLU	HG2	H	2.06	0.002	2
168	1	28	GLU	HG3	H	2.169	0.003	2
169	1	28	GLU	C	C	175.081	0.004	1
170	1	28	GLU	CA	C	53.744	0.037	1
171	1	28	GLU	CB	C	33.378	0.057	1
172	1	28	GLU	CG	C	35.05	0.042	1
173	1	28	GLU	N	N	122.607	0.037	1
174	1	29	VAL	H	H	8.489	0.004	1
175	1	29	VAL	HA	H	3.763	0.004	1
176	1	29	VAL	HB	H	1.916	0.004	1
177	1	29	VAL	HG11	H	0.867	0.001	2
178	1	29	VAL	HG12	H	0.867	0.001	2
179	1	29	VAL	HG13	H	0.867	0.001	2
180	1	29	VAL	HG21	H	0.902	0.001	2
181	1	29	VAL	HG22	H	0.902	0.001	2
182	1	29	VAL	HG23	H	0.902	0.001	2
183	1	29	VAL	C	C	178.133	0.012	1
184	1	29	VAL	CA	C	64.622	0.057	1
185	1	29	VAL	CB	C	31.741	0.044	1
186	1	29	VAL	CG1	C	22.228	0	2
187	1	29	VAL	CG2	C	21.56	0	2
188	1	29	VAL	N	N	123.351	0.056	1
189	1	30	GLY	H	H	8.439	0.004	1
190	1	30	GLY	HA2	H	3.95	0.004	2
191	1	30	GLY	HA3	H	4.236	0.002	2
192	1	30	GLY	C	C	174.541	0.031	1
193	1	30	GLY	CA	C	45.839	0.027	1
194	1	30	GLY	N	N	115.137	0.047	1
195	1	31	GLY	H	H	8.661	0.003	1
196	1	31	GLY	HA2	H	3.934	0.002	2
197	1	31	GLY	HA3	H	4.076	0	2
198	1	31	GLY	C	C	176.113	0.003	1
199	1	31	GLY	CA	C	48.334	0.031	1
200	1	31	GLY	N	N	109.316	0.037	1
201	1	32	LEU	H	H	9.06	0.004	1
202	1	32	LEU	HA	H	4.382	0	1
203	1	32	LEU	HB2	H	2.273	0.003	1
204	1	32	LEU	HG	H	1.435	0	1
205	1	32	LEU	HD11	H	0.887	0.001	2
206	1	32	LEU	HD12	H	0.887	0.001	2
207	1	32	LEU	HD13	H	0.887	0.001	2
208	1	32	LEU	HD21	H	0.958	0.001	2
209	1	32	LEU	HD22	H	0.958	0.001	2
210	1	32	LEU	HD23	H	0.958	0.001	2
211	1	32	LEU	C	C	178.929	0.018	1
212	1	32	LEU	CA	C	58.123	0.032	1
213	1	32	LEU	CB	C	41.699	0.073	1
214	1	32	LEU	CD1	C	26.899	0	2
215	1	32	LEU	CD2	C	23.861	0	2
216	1	32	LEU	N	N	121.806	0.043	1
217	1	33	VAL	H	H	9.783	0.004	1
218	1	33	VAL	HA	H	3.52	0.002	1
219	1	33	VAL	HB	H	2.039	0	1
220	1	33	VAL	HG11	H	1.04	0	2
221	1	33	VAL	HG12	H	1.04	0	2
222	1	33	VAL	HG13	H	1.04	0	2
223	1	33	VAL	HG21	H	0.981	0.001	2
224	1	33	VAL	HG22	H	0.981	0.001	2
225	1	33	VAL	HG23	H	0.981	0.001	2
226	1	33	VAL	C	C	176.419	0.001	1
227	1	33	VAL	CA	C	67.173	0.029	1
228	1	33	VAL	CB	C	31.43	0.022	1
229	1	33	VAL	CG1	C	25.395	0	2
230	1	33	VAL	CG2	C	21.081	0	2
231	1	33	VAL	N	N	122.433	0.044	1
232	1	34	LYS	H	H	7.505	0.003	1
233	1	34	LYS	HA	H	3.95	0.004	1
234	1	34	LYS	HG2	H	1.492	0.002	2
235	1	34	LYS	HG3	H	1.741	0.003	2
236	1	34	LYS	HE2	H	3.009	0	1
237	1	34	LYS	HE3	H	3.009	0	1
238	1	34	LYS	C	C	178.8	0.01	1
239	1	34	LYS	CA	C	60.301	0.019	1
240	1	34	LYS	CB	C	32.541	0.033	1
241	1	34	LYS	CG	C	25.787	0.025	1
242	1	34	LYS	CE	C	42.226	0.001	1
243	1	34	LYS	N	N	118.723	0.035	1
244	1	35	ALA	H	H	7.23	0.004	1
245	1	35	ALA	HA	H	4.181	0.001	1
246	1	35	ALA	HB1	H	1.382	0.002	1
247	1	35	ALA	HB2	H	1.382	0.002	1
248	1	35	ALA	HB3	H	1.382	0.002	1
249	1	35	ALA	C	C	179.829	0.006	1
250	1	35	ALA	CA	C	54.648	0.062	1
251	1	35	ALA	CB	C	18.788	0.034	1
252	1	35	ALA	N	N	119.448	0.036	1
253	1	36	LEU	H	H	8.91	0.003	1
254	1	36	LEU	HA	H	4.349	0.004	1
255	1	36	LEU	HB2	H	1.825	0.004	1
256	1	36	LEU	HD11	H	0.495	0.001	2
257	1	36	LEU	HD12	H	0.495	0.001	2
258	1	36	LEU	HD13	H	0.495	0.001	2
259	1	36	LEU	HD21	H	0.646	0.001	2
260	1	36	LEU	HD22	H	0.646	0.001	2
261	1	36	LEU	HD23	H	0.646	0.001	2
262	1	36	LEU	C	C	180.992	0.007	1
263	1	36	LEU	CA	C	57.341	0.025	1
264	1	36	LEU	CB	C	40.943	0.031	1
265	1	36	LEU	CD1	C	21.318	0	2
266	1	36	LEU	CD2	C	26.192	0	2
267	1	36	LEU	N	N	114.414	0.031	1
268	1	37	ARG	H	H	8.615	0.003	1
269	1	37	ARG	HA	H	4.16	0.005	1
270	1	37	ARG	HB2	H	2.021	0.022	2
271	1	37	ARG	HB3	H	2.027	0	2
272	1	37	ARG	HG2	H	1.804	0.003	2
273	1	37	ARG	HG3	H	1.875	0.006	2
274	1	37	ARG	HD2	H	3.216	0.001	2
275	1	37	ARG	HD3	H	3.255	0.002	2
276	1	37	ARG	C	C	178.152	0.01	1
277	1	37	ARG	CA	C	59.737	0.029	1
278	1	37	ARG	CB	C	29.77	0.032	1
279	1	37	ARG	CG	C	27.766	0.028	1
280	1	37	ARG	CD	C	43.465	0.026	1
281	1	37	ARG	N	N	122.462	0.041	1
282	1	38	LEU	H	H	7.545	0.003	1
283	1	38	LEU	HA	H	4.084	0.006	1
284	1	38	LEU	HB2	H	1.972	0.004	2
285	1	38	LEU	HB3	H	1.214	0.002	2
286	1	38	LEU	HD11	H	0.828	0.001	2
287	1	38	LEU	HD12	H	0.828	0.001	2
288	1	38	LEU	HD13	H	0.828	0.001	2
289	1	38	LEU	HD21	H	0.846	0.002	2
290	1	38	LEU	HD22	H	0.846	0.002	2
291	1	38	LEU	HD23	H	0.846	0.002	2
292	1	38	LEU	C	C	178.72	0.021	1
293	1	38	LEU	CA	C	57.812	0.068	1
294	1	38	LEU	CB	C	41.352	0.056	1
295	1	38	LEU	CD1	C	25.153	0	2
296	1	38	LEU	CD2	C	22.877	0	2
297	1	38	LEU	N	N	118.54	0.052	1
298	1	39	PHE	H	H	7.414	0.003	1
299	1	39	PHE	HA	H	3.934	0.002	1
300	1	39	PHE	HB2	H	3.102	0	2
301	1	39	PHE	HB3	H	3.127	0	2
302	1	39	PHE	C	C	177.536	0.002	1
303	1	39	PHE	CA	C	61.475	0.023	1
304	1	39	PHE	CB	C	38.072	0.087	1
305	1	39	PHE	N	N	116.582	0.062	1
306	1	40	GLN	H	H	7.484	0.001	1
307	1	40	GLN	HA	H	3.888	0.003	1
308	1	40	GLN	HB2	H	2.313	0.002	2
309	1	40	GLN	HB3	H	2.542	0.002	2
310	1	40	GLN	HG2	H	2.312	0.002	1
311	1	40	GLN	C	C	179.462	0.005	1
312	1	40	GLN	CA	C	59.566	0.043	1
313	1	40	GLN	CB	C	27.839	0.056	1
314	1	40	GLN	CG	C	33.363	0.025	1
315	1	40	GLN	N	N	118.917	0.059	1
316	1	41	GLU	H	H	8.395	0.001	1
317	1	41	GLU	HA	H	4.011	0.003	1
318	1	41	GLU	HB2	H	2.089	0.003	2
319	1	41	GLU	HB3	H	2.184	0.005	2
320	1	41	GLU	HG2	H	2.397	0.002	2
321	1	41	GLU	HG3	H	2.265	0.003	2
322	1	41	GLU	C	C	178.281	0.01	1
323	1	41	GLU	CA	C	59.429	0.039	1
324	1	41	GLU	CB	C	29.566	0.046	1
325	1	41	GLU	CG	C	36.269	0.025	1
326	1	41	GLU	N	N	121.428	0.009	1
327	1	42	LYS	H	H	7.33	0.003	1
328	1	42	LYS	HA	H	4.387	0.001	1
329	1	42	LYS	HB2	H	1.655	0.004	1
330	1	42	LYS	HB3	H	1.655	0.004	1
331	1	42	LYS	HG2	H	1.191	0.001	1
332	1	42	LYS	HG3	H	1.191	0.001	1
333	1	42	LYS	HD2	H	1.578	0	1
334	1	42	LYS	HD3	H	1.578	0	1
335	1	42	LYS	HE2	H	2.78	0	1
336	1	42	LYS	HE3	H	2.78	0	1
337	1	42	LYS	C	C	174.096	0.01	1
338	1	42	LYS	CA	C	53.501	0.05	1
339	1	42	LYS	CB	C	31.02	0.049	1
340	1	42	LYS	CG	C	24.272	0.015	1
341	1	42	LYS	CD	C	27.267	0	1
342	1	42	LYS	CE	C	42.286	0	1
343	1	42	LYS	N	N	114.293	0.048	1
344	1	43	ARG	H	H	7.896	0.003	1
345	1	43	ARG	HA	H	3.621	0.004	1
346	1	43	ARG	HB2	H	2.008	0.003	2
347	1	43	ARG	HB3	H	2.181	0.004	2
348	1	43	ARG	HG2	H	1.619	0.003	2
349	1	43	ARG	HG3	H	1.617	0.002	2
350	1	43	ARG	HD2	H	3.275	0.001	1
351	1	43	ARG	HD3	H	3.276	0.001	1
352	1	43	ARG	C	C	174.555	0.009	1
353	1	43	ARG	CA	C	56.991	0.05	1
354	1	43	ARG	CB	C	26.279	0.042	1
355	1	43	ARG	CG	C	27.317	0.044	1
356	1	43	ARG	CD	C	43.182	0.034	1
357	1	43	ARG	N	N	115.483	0.044	1
358	1	44	VAL	H	H	8.479	0.004	1
359	1	44	VAL	HA	H	4.029	0.003	1
360	1	44	VAL	HB	H	2.066	0.003	1
361	1	44	VAL	HG11	H	0.975	0.002	2
362	1	44	VAL	HG12	H	0.975	0.002	2
363	1	44	VAL	HG13	H	0.975	0.002	2
364	1	44	VAL	HG21	H	0.878	0.003	2
365	1	44	VAL	HG22	H	0.878	0.003	2
366	1	44	VAL	HG23	H	0.878	0.003	2
367	1	44	VAL	C	C	174.315	0.007	1
368	1	44	VAL	CA	C	62.713	0.032	1
369	1	44	VAL	CB	C	32.937	0.045	1
370	1	44	VAL	CG1	C	22.541	0	2
371	1	44	VAL	CG2	C	21.442	0	2
372	1	44	VAL	N	N	119.909	0.03	1
373	1	45	ASN	H	H	8.488	0.003	1
374	1	45	ASN	HA	H	4.683	0.003	1
375	1	45	ASN	HB2	H	2.629	0.004	2
376	1	45	ASN	HB3	H	2.931	0.004	2
377	1	45	ASN	C	C	174.651	0.021	1
378	1	45	ASN	CA	C	53.063	0.022	1
379	1	45	ASN	CB	C	40.002	0.049	1
380	1	45	ASN	N	N	127.262	0.035	1
381	1	46	MET	H	H	8.329	0.002	1
382	1	46	MET	HE1	H	2.189	0.001	1
383	1	46	MET	HE2	H	2.189	0.001	1
384	1	46	MET	HE3	H	2.189	0.001	1
385	1	46	MET	C	C	175.09	0.012	1
386	1	46	MET	CA	C	56.367	0	1
387	1	46	MET	CE	C	18.96	0.019	1
388	1	46	MET	N	N	125.003	0.009	1
389	1	47	VAL	H	H	8.849	0.003	1
390	1	47	VAL	HA	H	4.26	0.004	1
391	1	47	VAL	HB	H	2.056	0.004	1
392	1	47	VAL	HG11	H	0.753	0	2
393	1	47	VAL	HG12	H	0.753	0	2
394	1	47	VAL	HG13	H	0.753	0	2
395	1	47	VAL	HG21	H	0.613	0.001	2
396	1	47	VAL	HG22	H	0.613	0.001	2
397	1	47	VAL	HG23	H	0.613	0.001	2
398	1	47	VAL	C	C	176.212	0.014	1
399	1	47	VAL	CA	C	61.409	0.123	1
400	1	47	VAL	CB	C	33.213	0.034	1
401	1	47	VAL	CG1	C	21.91	0	2
402	1	47	VAL	CG2	C	19.769	0	2
403	1	47	VAL	N	N	113.766	0.044	1
404	1	48	HIS	H	H	7.502	0.004	1
405	1	48	HIS	HA	H	5.03	0.004	1
406	1	48	HIS	HB2	H	2.868	0.004	2
407	1	48	HIS	HB3	H	3.361	0.004	2
408	1	48	HIS	HD2	H	6.918	0	1
409	1	48	HIS	HE1	H	8.261	0	1
410	1	48	HIS	C	C	172.097	0.01	1
411	1	48	HIS	CA	C	57.12	0.068	1
412	1	48	HIS	CB	C	34.867	0.067	1
413	1	48	HIS	CD2	C	117.523	0	1
414	1	48	HIS	CE1	C	139.9	0	1
415	1	48	HIS	N	N	119.453	0.102	1
416	1	49	ILE	H	H	8.135	0.004	1
417	1	49	ILE	HA	H	5.633	0.003	1
418	1	49	ILE	HG12	H	1.71	0.001	1
419	1	49	ILE	HG13	H	1.71	0.001	1
420	1	49	ILE	HG21	H	0.691	0.001	1
421	1	49	ILE	HG22	H	0.691	0.001	1
422	1	49	ILE	HG23	H	0.691	0.001	1
423	1	49	ILE	HD11	H	0.739	0.001	1
424	1	49	ILE	HD12	H	0.739	0.001	1
425	1	49	ILE	HD13	H	0.739	0.001	1
426	1	49	ILE	C	C	171.965	0.004	1
427	1	49	ILE	CA	C	58.652	0.06	1
428	1	49	ILE	CB	C	42.304	0.11	1
429	1	49	ILE	CG1	C	29.477	0.02	1
430	1	49	ILE	CG2	C	15.179	0.022	1
431	1	49	ILE	CD1	C	15.414	0.022	1
432	1	49	ILE	N	N	125.67	0.042	1
433	1	50	GLU	H	H	8.514	0.005	1
434	1	50	GLU	HA	H	5.288	0.002	1
435	1	50	GLU	HB2	H	2.537	0.004	2
436	1	50	GLU	HB3	H	2.482	0.003	2
437	1	50	GLU	HG2	H	2.55	0.004	2
438	1	50	GLU	HG3	H	2.618	0.005	2
439	1	50	GLU	C	C	174.27	0.011	1
440	1	50	GLU	CA	C	56.279	0.042	1
441	1	50	GLU	CB	C	34.38	0.078	1
442	1	50	GLU	CG	C	36.953	0.018	1
443	1	50	GLU	N	N	120.076	0.011	1
444	1	51	SER	H	H	8.247	0.003	1
445	1	51	SER	HA	H	5.563	0	1
446	1	51	SER	HB2	H	3.796	0	2
447	1	51	SER	HB3	H	3.831	0	2
448	1	51	SER	C	C	174.134	0.004	1
449	1	51	SER	CA	C	55.878	0.051	1
450	1	51	SER	CB	C	68.162	0.006	1
451	1	51	SER	N	N	115.668	0.01	1
452	1	53	LYS	H	H	8.677	0.001	1
453	1	53	LYS	HA	H	4.196	0.005	1
454	1	53	LYS	HB2	H	1.759	0.003	1
455	1	53	LYS	HB3	H	1.759	0.003	1
456	1	53	LYS	HG2	H	1.38	0.002	2
457	1	53	LYS	HG3	H	1.524	0.002	2
458	1	53	LYS	HD2	H	1.641	0.002	1
459	1	53	LYS	HD3	H	1.641	0.002	1
460	1	53	LYS	HE2	H	2.917	0.002	1
461	1	53	LYS	HE3	H	2.917	0.002	1
462	1	53	LYS	C	C	176.75	0.019	1
463	1	53	LYS	CA	C	58.087	0.055	1
464	1	53	LYS	CB	C	32.43	0.028	1
465	1	53	LYS	CG	C	25.22	0.019	1
466	1	53	LYS	CD	C	29.271	0.042	1
467	1	53	LYS	CE	C	41.96	0.028	1
468	1	53	LYS	N	N	127.051	0.04	1
469	1	54	SER	H	H	8.085	0.003	1
470	1	54	SER	CA	C	56.705	0	1
471	1	54	SER	CB	C	63.961	0	1
472	1	54	SER	N	N	116.593	0.073	1
473	1	59	SER	HA	H	4.526	0.004	1
474	1	59	SER	HB2	H	4.017	0.003	2
475	1	59	SER	HB3	H	4.135	0.003	2
476	1	59	SER	C	C	174.299	0.016	1
477	1	59	SER	CA	C	59.502	0.027	1
478	1	59	SER	CB	C	63.439	0.07	1
479	1	60	GLU	H	H	7.911	0.002	1
480	1	60	GLU	HA	H	5.166	0.003	1
481	1	60	GLU	HB2	H	1.796	0	1
482	1	60	GLU	HB3	H	1.796	0	1
483	1	60	GLU	HG2	H	2.023	0.006	2
484	1	60	GLU	HG3	H	2.19	0.003	2
485	1	60	GLU	C	C	175.334	0.012	1
486	1	60	GLU	CA	C	55.478	0.068	1
487	1	60	GLU	CB	C	32.86	0.032	1
488	1	60	GLU	CG	C	36.781	0.029	1
489	1	60	GLU	N	N	120.314	0.034	1
490	1	61	VAL	H	H	8.944	0.003	1
491	1	61	VAL	HA	H	4.518	0.003	1
492	1	61	VAL	HB	H	1.833	0.005	1
493	1	61	VAL	HG11	H	0.888	0.006	2
494	1	61	VAL	HG12	H	0.888	0.006	2
495	1	61	VAL	HG13	H	0.888	0.006	2
496	1	61	VAL	HG21	H	0.856	0.001	2
497	1	61	VAL	HG22	H	0.856	0.001	2
498	1	61	VAL	HG23	H	0.856	0.001	2
499	1	61	VAL	C	C	173.237	0.01	1
500	1	61	VAL	CA	C	60.358	0.061	1
501	1	61	VAL	CB	C	35.49	0.038	1
502	1	61	VAL	CG1	C	20.907	0.029	2
503	1	61	VAL	CG2	C	20.79	0.034	2
504	1	61	VAL	N	N	119.895	0.03	1
505	1	62	GLU	H	H	8.427	0.001	1
506	1	62	GLU	HA	H	4.942	0.002	1
507	1	62	GLU	HG2	H	2.021	0.002	2
508	1	62	GLU	HG3	H	2.252	0.001	2
509	1	62	GLU	C	C	174.27	0	1
510	1	62	GLU	CA	C	55.264	0.043	1
511	1	62	GLU	CB	C	32.148	0.005	1
512	1	62	GLU	CG	C	37.537	0.028	1
513	1	62	GLU	N	N	123.498	0.019	1
514	1	63	ILE	H	H	9.069	0.002	1
515	1	63	ILE	HA	H	4.444	0.004	1
516	1	63	ILE	HB	H	0.603	0.005	1
517	1	63	ILE	HG12	H	0.734	0.004	1
518	1	63	ILE	HG21	H	0.316	0.001	1
519	1	63	ILE	HG22	H	0.316	0.001	1
520	1	63	ILE	HG23	H	0.316	0.001	1
521	1	63	ILE	HD11	H	-0.106	0.001	1
522	1	63	ILE	HD12	H	-0.106	0.001	1
523	1	63	ILE	HD13	H	-0.106	0.001	1
524	1	63	ILE	C	C	173.469	0.023	1
525	1	63	ILE	CA	C	57.546	0.045	1
526	1	63	ILE	CB	C	37.566	0.047	1
527	1	63	ILE	CG1	C	25.765	0.046	1
528	1	63	ILE	CG2	C	17.36	0.03	1
529	1	63	ILE	CD1	C	9.263	0.035	1
530	1	63	ILE	N	N	122.415	0.014	1
531	1	64	PHE	H	H	9.021	0.003	1
532	1	64	PHE	HA	H	5.319	0	1
533	1	64	PHE	C	C	174.049	0.018	1
534	1	64	PHE	CA	C	55.356	0.053	1
535	1	64	PHE	CB	C	42.063	0	1
536	1	64	PHE	N	N	126.419	0.017	1
537	1	65	VAL	H	H	8.454	0.005	1
538	1	65	VAL	HA	H	4.617	0.006	1
539	1	65	VAL	HB	H	1.774	0.004	1
540	1	65	VAL	HG11	H	0.719	0.002	2
541	1	65	VAL	HG12	H	0.719	0.002	2
542	1	65	VAL	HG13	H	0.719	0.002	2
543	1	65	VAL	HG21	H	0.778	0.001	2
544	1	65	VAL	HG22	H	0.778	0.001	2
545	1	65	VAL	HG23	H	0.778	0.001	2
546	1	65	VAL	C	C	173.384	0.02	1
547	1	65	VAL	CA	C	60.419	0.054	1
548	1	65	VAL	CB	C	35.891	0.059	1
549	1	65	VAL	CG1	C	23.108	0	2
550	1	65	VAL	CG2	C	22.228	0	2
551	1	65	VAL	N	N	124.238	0.02	1
552	1	66	ASP	H	H	8.231	0.003	1
553	1	66	ASP	HA	H	5.015	0.003	1
554	1	66	ASP	HB2	H	2.505	0.004	2
555	1	66	ASP	HB3	H	2.622	0.008	2
556	1	66	ASP	C	C	176.95	0.006	1
557	1	66	ASP	CA	C	52.578	0.051	1
558	1	66	ASP	CB	C	43.936	0.037	1
559	1	66	ASP	N	N	125.005	0.029	1
560	1	67	CYS	H	H	8.681	0.004	1
561	1	67	CYS	HA	H	4.947	0.001	1
562	1	67	CYS	HB2	H	3.011	0.003	2
563	1	67	CYS	HB3	H	2.618	0.001	2
564	1	67	CYS	C	C	172.614	0.007	1
565	1	67	CYS	CA	C	58.019	0.039	1
566	1	67	CYS	CB	C	31.913	0.022	1
567	1	67	CYS	N	N	123.384	0.032	1
568	1	68	GLU	H	H	8.515	0.004	1
569	1	68	GLU	HB2	H	1.781	0	2
570	1	68	GLU	HB3	H	1.948	0	2
571	1	68	GLU	HG2	H	2.088	0	2
572	1	68	GLU	HG3	H	2.136	0	2
573	1	68	GLU	C	C	174.246	0.006	1
574	1	68	GLU	CA	C	55.008	0.04	1
575	1	68	GLU	CB	C	31.283	0.073	1
576	1	68	GLU	CG	C	36.389	0.002	1
577	1	68	GLU	N	N	122.954	0.037	1
578	1	69	CYS	H	H	7.957	0.003	1
579	1	69	CYS	HA	H	4.909	0.002	1
580	1	69	CYS	HB2	H	3.23	0.005	1
581	1	69	CYS	HB3	H	3.23	0.005	1
582	1	69	CYS	C	C	172.794	0.017	1
583	1	69	CYS	CA	C	56.524	0.049	1
584	1	69	CYS	CB	C	30.381	0.025	1
585	1	69	CYS	N	N	119.361	0.043	1
586	1	70	GLY	H	H	8.619	0.003	1
587	1	70	GLY	HA2	H	4.072	0.003	2
588	1	70	GLY	HA3	H	4.301	0.006	2
589	1	70	GLY	C	C	174.532	0.021	1
590	1	70	GLY	CA	C	44.695	0.034	1
591	1	70	GLY	N	N	107.653	0.054	1
592	1	71	LYS	H	H	8.604	0.002	1
593	1	71	LYS	HA	H	3.936	0.003	1
594	1	71	LYS	HB2	H	1.901	0.003	1
595	1	71	LYS	HG2	H	1.48	0.005	2
596	1	71	LYS	HG3	H	1.577	0.004	2
597	1	71	LYS	HD2	H	1.738	0	1
598	1	71	LYS	HE2	H	3.025	0.004	1
599	1	71	LYS	C	C	179.098	0.004	1
600	1	71	LYS	CA	C	59.898	0.066	1
601	1	71	LYS	CB	C	32.46	0.044	1
602	1	71	LYS	CG	C	24.875	0.056	1
603	1	71	LYS	CD	C	29.082	0.032	1
604	1	71	LYS	CE	C	42.169	0.054	1
605	1	71	LYS	N	N	121.349	0.054	1
606	1	72	THR	H	H	8.572	0.002	1
607	1	72	THR	HA	H	3.97	0.003	1
608	1	72	THR	HB	H	4.128	0.002	1
609	1	72	THR	HG21	H	1.235	0.003	1
610	1	72	THR	HG22	H	1.235	0.003	1
611	1	72	THR	HG23	H	1.235	0.003	1
612	1	72	THR	C	C	176.704	0.009	1
613	1	72	THR	CA	C	66.861	0.06	1
614	1	72	THR	CB	C	68.35	0.053	1
615	1	72	THR	CG2	C	21.996	0.062	1
616	1	72	THR	N	N	116.262	0.048	1
617	1	73	GLU	H	H	9.12	0.003	1
618	1	73	GLU	HA	H	4.011	0.003	1
619	1	73	GLU	HB2	H	2.155	0.003	2
620	1	73	GLU	HB3	H	1.976	0.004	2
621	1	73	GLU	HG2	H	2.607	0.003	2
622	1	73	GLU	HG3	H	2.326	0.004	2
623	1	73	GLU	C	C	178.424	0.011	1
624	1	73	GLU	CA	C	60.455	0.027	1
625	1	73	GLU	CB	C	28.615	0.038	1
626	1	73	GLU	CG	C	37.444	0.034	1
627	1	73	GLU	N	N	122.911	0.046	1
628	1	74	PHE	H	H	8.2	0.004	1
629	1	74	PHE	HA	H	4.056	0.001	1
630	1	74	PHE	HB2	H	3.163	0.008	1
631	1	74	PHE	C	C	176.689	0.013	1
632	1	74	PHE	CA	C	61.725	0.035	1
633	1	74	PHE	CB	C	39.452	0.057	1
634	1	74	PHE	N	N	120.65	0.031	1
635	1	75	ASN	H	H	8.259	0.004	1
636	1	75	ASN	HA	H	4.222	0.004	1
637	1	75	ASN	HB2	H	2.823	0.002	2
638	1	75	ASN	HB3	H	2.991	0.004	2
639	1	75	ASN	C	C	178.582	0.007	1
640	1	75	ASN	CA	C	56.501	0.024	1
641	1	75	ASN	CB	C	37.991	0.025	1
642	1	75	ASN	N	N	116.927	0.032	1
643	1	76	GLU	H	H	7.983	0.002	1
644	1	76	GLU	HA	H	3.928	0.002	1
645	1	76	GLU	HB2	H	2.181	0	2
646	1	76	GLU	HB3	H	2.094	0	2
647	1	76	GLU	HG2	H	2.555	0.003	1
648	1	76	GLU	C	C	179.192	0.008	1
649	1	76	GLU	CA	C	59.365	0.051	1
650	1	76	GLU	CB	C	29.74	0.103	1
651	1	76	GLU	CG	C	36.395	0.019	1
652	1	76	GLU	N	N	119.154	0.01	1
653	1	77	LEU	H	H	8.005	0.003	1
654	1	77	LEU	HA	H	3.75	0.003	1
655	1	77	LEU	HB2	H	1.191	0.002	2
656	1	77	LEU	HB3	H	1.942	0.004	2
657	1	77	LEU	HG	H	0.796	0	1
658	1	77	LEU	HD11	H	-0.009	0.001	2
659	1	77	LEU	HD12	H	-0.009	0.001	2
660	1	77	LEU	HD13	H	-0.009	0.001	2
661	1	77	LEU	HD21	H	0.139	0	2
662	1	77	LEU	HD22	H	0.139	0	2
663	1	77	LEU	HD23	H	0.139	0	2
664	1	77	LEU	C	C	178.213	0.012	1
665	1	77	LEU	CA	C	58.165	0.042	1
666	1	77	LEU	CB	C	41.039	0.074	1
667	1	77	LEU	CG	C	27.011	0	1
668	1	77	LEU	CD1	C	25.127	0	2
669	1	77	LEU	CD2	C	23.161	0	2
670	1	77	LEU	N	N	121.268	0.017	1
671	1	78	ILE	H	H	8.179	0.004	1
672	1	78	ILE	HA	H	3.301	0.002	1
673	1	78	ILE	HB	H	1.923	0.001	1
674	1	78	ILE	HG12	H	0.746	0.006	2
675	1	78	ILE	HG13	H	0.922	0.004	2
676	1	78	ILE	HG21	H	0.693	0.001	1
677	1	78	ILE	HG22	H	0.693	0.001	1
678	1	78	ILE	HG23	H	0.693	0.001	1
679	1	78	ILE	HD11	H	0.188	0.001	1
680	1	78	ILE	HD12	H	0.188	0.001	1
681	1	78	ILE	HD13	H	0.188	0.001	1
682	1	78	ILE	C	C	177.324	0.004	1
683	1	78	ILE	CA	C	62.44	0.067	1
684	1	78	ILE	CB	C	34.768	0.048	1
685	1	78	ILE	CG1	C	26.075	0.057	1
686	1	78	ILE	CG2	C	17.76	0.037	1
687	1	78	ILE	CD1	C	9.328	0.039	1
688	1	78	ILE	N	N	119.377	0.034	1
689	1	79	GLN	H	H	7.39	0.002	1
690	1	79	GLN	HA	H	3.832	0.003	1
691	1	79	GLN	HB2	H	2.099	0.002	2
692	1	79	GLN	HB3	H	2.123	0.003	2
693	1	79	GLN	HG2	H	2.494	0.007	2
694	1	79	GLN	HG3	H	2.436	0.007	2
695	1	79	GLN	C	C	177.724	0.01	1
696	1	79	GLN	CA	C	58.52	0.061	1
697	1	79	GLN	CB	C	27.923	0.038	1
698	1	79	GLN	CG	C	33.411	0.026	1
699	1	79	GLN	N	N	116.105	0.031	1
700	1	80	LEU	H	H	7.195	0.001	1
701	1	80	LEU	HA	H	4.371	0.002	1
702	1	80	LEU	HB2	H	1.543	0.004	2
703	1	80	LEU	HB3	H	1.883	0.004	2
704	1	80	LEU	HD11	H	0.888	0	2
705	1	80	LEU	HD12	H	0.888	0	2
706	1	80	LEU	HD13	H	0.888	0	2
707	1	80	LEU	HD21	H	0.887	0.001	2
708	1	80	LEU	HD22	H	0.887	0.001	2
709	1	80	LEU	HD23	H	0.887	0.001	2
710	1	80	LEU	C	C	180.349	0	1
711	1	80	LEU	CA	C	56.967	0.003	1
712	1	80	LEU	CB	C	43.1	0.047	1
713	1	80	LEU	CD1	C	25.748	0	2
714	1	80	LEU	CD2	C	22.838	0	2
715	1	80	LEU	N	N	116.339	0.041	1
716	1	81	LEU	H	H	8.897	0.002	1
717	1	81	LEU	HA	H	3.677	0.001	1
718	1	81	LEU	HB2	H	1.328	0.002	1
719	1	81	LEU	HB3	H	1.328	0.002	1
720	1	81	LEU	HG	H	1.265	0.003	1
721	1	81	LEU	HD11	H	0.325	0	2
722	1	81	LEU	HD12	H	0.325	0	2
723	1	81	LEU	HD13	H	0.325	0	2
724	1	81	LEU	HD21	H	0.364	0.001	2
725	1	81	LEU	HD22	H	0.364	0.001	2
726	1	81	LEU	HD23	H	0.364	0.001	2
727	1	81	LEU	C	C	179.915	0.012	1
728	1	81	LEU	CA	C	57.582	0.074	1
729	1	81	LEU	CB	C	42.982	0.054	1
730	1	81	LEU	CG	C	26.165	0.013	1
731	1	81	LEU	CD1	C	24.44	0	2
732	1	81	LEU	CD2	C	24.302	0	2
733	1	81	LEU	N	N	122.519	0.078	1
734	1	82	LYS	H	H	8.139	0.002	1
735	1	82	LYS	CA	C	58.442	0.03	1
736	1	82	LYS	CB	C	32.182	0.112	1
737	1	82	LYS	CD	C	29.765	0.024	1
738	1	82	LYS	N	N	117.777	0.066	1
739	1	83	PHE	H	H	7.196	0.004	1
740	1	83	PHE	HA	H	4.662	0.001	1
741	1	83	PHE	HB2	H	3.078	0.004	2
742	1	83	PHE	HB3	H	3.373	0.002	2
743	1	83	PHE	C	C	176.384	0	1
744	1	83	PHE	CA	C	59.317	0.047	1
745	1	83	PHE	CB	C	39.503	0.028	1
746	1	83	PHE	CD1	C	131.724	0	1
747	1	83	PHE	CD2	C	131.724	0	1
748	1	83	PHE	CE1	C	131.89	0	1
749	1	83	PHE	CE2	C	131.89	0	1
750	1	83	PHE	CZ	C	129.795	0	1
751	1	83	PHE	N	N	115.378	0.06	1
752	1	84	GLN	H	H	7.627	0.002	1
753	1	84	GLN	HA	H	4.677	0.001	1
754	1	84	GLN	HG2	H	2.343	0.012	2
755	1	84	GLN	HG3	H	2.363	0.005	2
756	1	84	GLN	C	C	176.833	0	1
757	1	84	GLN	CA	C	55.742	0.058	1
758	1	84	GLN	CG	C	33.587	0.012	1
759	1	84	GLN	N	N	115.371	0.038	1
760	1	85	THR	H	H	8.126	0.003	1
761	1	85	THR	HA	H	4.552	0	1
762	1	85	THR	HB	H	4.154	0	1
763	1	85	THR	HG21	H	1.131	0	1
764	1	85	THR	HG22	H	1.131	0	1
765	1	85	THR	HG23	H	1.131	0	1
766	1	85	THR	CA	C	62.021	0.031	1
767	1	85	THR	CB	C	70.051	0	1
768	1	85	THR	CG2	C	21.483	0	1
769	1	85	THR	N	N	114.323	0	1
770	1	87	ILE	HA	H	4.016	0	1
771	1	87	ILE	HB	H	2.071	0.002	1
772	1	87	ILE	HG12	H	1.341	0.005	2
773	1	87	ILE	HG13	H	1.436	0.004	2
774	1	87	ILE	HG21	H	0.782	0.001	1
775	1	87	ILE	HG22	H	0.782	0.001	1
776	1	87	ILE	HG23	H	0.782	0.001	1
777	1	87	ILE	HD11	H	0.618	0.003	1
778	1	87	ILE	HD12	H	0.618	0.003	1
779	1	87	ILE	HD13	H	0.618	0.003	1
780	1	87	ILE	CA	C	60.848	0.022	1
781	1	87	ILE	CB	C	35.517	0	1
782	1	87	ILE	CG1	C	27.531	0.029	1
783	1	87	ILE	CG2	C	17.274	0.072	1
784	1	87	ILE	CD1	C	10.071	0.034	1
785	1	88	VAL	HB	H	1.773	0.003	1
786	1	88	VAL	HG11	H	0.944	0	2
787	1	88	VAL	HG12	H	0.944	0	2
788	1	88	VAL	HG13	H	0.944	0	2
789	1	88	VAL	HG21	H	0.961	0.002	2
790	1	88	VAL	HG22	H	0.961	0.002	2
791	1	88	VAL	HG23	H	0.961	0.002	2
792	1	88	VAL	CB	C	32.642	0.024	1
793	1	88	VAL	CG1	C	21.64	0.013	2
794	1	88	VAL	CG2	C	20.632	0.021	2
795	1	89	THR	HA	H	4.61	0.002	1
796	1	89	THR	HB	H	4.274	0.006	1
797	1	89	THR	HG21	H	1.044	0.005	1
798	1	89	THR	HG22	H	1.044	0.005	1
799	1	89	THR	HG23	H	1.044	0.005	1
800	1	89	THR	C	C	171.38	0	1
801	1	89	THR	CA	C	61.191	0.012	1
802	1	89	THR	CB	C	69.13	0	1
803	1	89	THR	CG2	C	20.431	0.035	1
804	1	90	LEU	H	H	8.592	0.002	1
805	1	90	LEU	HA	H	5.021	0.005	1
806	1	90	LEU	HB2	H	1.713	0	2
807	1	90	LEU	HB3	H	1.9	0	2
808	1	90	LEU	HD11	H	1.002	0	2
809	1	90	LEU	HD12	H	1.002	0	2
810	1	90	LEU	HD13	H	1.002	0	2
811	1	90	LEU	HD21	H	1.025	0	2
812	1	90	LEU	HD22	H	1.025	0	2
813	1	90	LEU	HD23	H	1.025	0	2
814	1	90	LEU	C	C	175.846	0.01	1
815	1	90	LEU	CA	C	54.068	0.034	1
816	1	90	LEU	CB	C	42.724	0.052	1
817	1	90	LEU	CD1	C	25.56	0	2
818	1	90	LEU	CD2	C	24.528	0	2
819	1	90	LEU	N	N	126.081	0.06	1
820	1	91	ASN	H	H	9.005	0.001	1
821	1	91	ASN	HA	H	4.898	0.004	1
822	1	91	ASN	HB2	H	2.598	0.003	2
823	1	91	ASN	HB3	H	2.755	0.008	2
824	1	91	ASN	CA	C	52.225	0.115	1
825	1	91	ASN	CB	C	39.133	0.026	1
826	1	91	ASN	N	N	117.878	0.014	1
827	1	93	PRO	HA	H	4.487	0	1
828	1	93	PRO	C	C	177.214	0	1
829	1	93	PRO	CA	C	62.136	0	1
830	1	94	GLU	H	H	8.634	0.001	1
831	1	94	GLU	HA	H	3.852	0.002	1
832	1	94	GLU	HB2	H	1.911	0.002	1
833	1	94	GLU	HB3	H	1.911	0.002	1
834	1	94	GLU	HG2	H	2.205	0.003	1
835	1	94	GLU	HG3	H	2.205	0.003	1
836	1	94	GLU	CA	C	58.884	0.03	1
837	1	94	GLU	CB	C	29.58	0.021	1
838	1	94	GLU	CG	C	36.16	0.028	1
839	1	94	GLU	N	N	120.435	0.041	1
840	1	95	ASN	HA	H	4.555	0	1
841	1	95	ASN	HB2	H	2.735	0.001	2
842	1	95	ASN	HB3	H	2.791	0.001	2
843	1	95	ASN	C	C	175.337	0.021	1
844	1	95	ASN	CA	C	53.002	0.031	1
845	1	95	ASN	CB	C	37.657	0.04	1
846	1	96	ILE	H	H	7.481	0.003	1
847	1	96	ILE	HD11	H	0.712	0	1
848	1	96	ILE	HD12	H	0.712	0	1
849	1	96	ILE	HD13	H	0.712	0	1
850	1	96	ILE	CA	C	65.932	0	1
851	1	96	ILE	CD1	C	13.165	0	1
852	1	96	ILE	N	N	117.578	0.021	1
853	1	97	TRP	HA	H	4.846	0.004	1
854	1	97	TRP	HB2	H	3.326	0.009	2
855	1	97	TRP	HB3	H	3.059	0.005	2
856	1	97	TRP	HD1	H	7.198	0	1
857	1	97	TRP	HZ2	H	7.225	0	1
858	1	97	TRP	C	C	176.818	0.004	1
859	1	97	TRP	CA	C	55.598	0.064	1
860	1	97	TRP	CB	C	30.131	0.031	1
861	1	97	TRP	CD1	C	127.308	0	1
862	1	97	TRP	CZ2	C	114.146	0	1
863	1	98	THR	H	H	8.136	0.002	1
864	1	98	THR	HA	H	4.323	0.003	1
865	1	98	THR	HB	H	4.241	0	1
866	1	98	THR	HG21	H	1.218	0	1
867	1	98	THR	HG22	H	1.218	0	1
868	1	98	THR	HG23	H	1.218	0	1
869	1	98	THR	C	C	174.426	0.006	1
870	1	98	THR	CA	C	62.012	0.049	1
871	1	98	THR	CB	C	70.003	0.077	1
872	1	98	THR	CG2	C	21.656	0.015	1
873	1	98	THR	N	N	114.791	0.03	1
874	1	99	GLU	H	H	8.49	0.004	1
875	1	99	GLU	C	C	175.554	0.006	1
876	1	99	GLU	CA	C	56.425	0.068	1
877	1	99	GLU	CB	C	30.402	0.074	1
878	1	99	GLU	N	N	123.354	0.055	1
879	1	100	GLU	H	H	8.027	0.002	1
880	1	100	GLU	HA	H	4.104	0.002	1
881	1	100	GLU	HB2	H	1.886	0.002	2
882	1	100	GLU	HB3	H	2.031	0.001	2
883	1	100	GLU	HG2	H	2.199	0	1
884	1	100	GLU	C	C	181.058	0	1
885	1	100	GLU	CA	C	58.143	0.039	1
886	1	100	GLU	CB	C	31.251	0.029	1
887	1	100	GLU	CG	C	36.738	0.023	1
888	1	100	GLU	N	N	126.935	0.036	1

Chemical Shifts 2

¹H: 8, ¹³C: 7 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
889	2	1	PHE	CA	C	58.967	0	1
890	2	1	PHE	CB	C	39.219	0.008	1
891	2	1	PHE	CD1	C	133.066	0	1
892	2	1	PHE	CD2	C	133.066	0	1
893	2	1	PHE	CE1	C	131.439	0	1
894	2	1	PHE	CE2	C	131.439	0	1
895	2	1	PHE	CZ	C	129.053	0	1
896	2	1	PHE	HA	H	3.99	0	1
897	2	1	PHE	HB2	H	3.124	0	2
898	2	1	PHE	HB3	H	3.271	0	2
899	2	1	PHE	HD1	H	7.224	0	1
900	2	1	PHE	HD2	H	7.224	0	1
901	2	1	PHE	HE1	H	7.013	0	1
902	2	1	PHE	HE2	H	7.013	0	1
903	2	1	PHE	HZ	H	6.94	0	1

Release date

2022-01-30

Citation

L-Phe is implicated in serotonin biosynthesis: Overrules L-Trp as the superior allosteric regulator of human tryptophan hydroxylase 2
Vedel, I.M., Prestel, A., Zhang, Z., Skawinska, N.T., Stark, H., Harris, P., Kragelund, B.B., Peters, G.H.J.

Related entities 1. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity 1, : 1 : 3 : 20 entities Detail

Interaction partners 1. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 16 experiments Detail

1 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 1.1 mM [U-99% 13C; U-99% 15N] Tryptophan hydroxylase 2 (GP+ 48 to 145), 10 mM L-Phe, 20 mM sodium phosphate, 100 mM ammonium sulfate, 125 uM DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

2 3D HN(CO)CACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

3 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

4 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

6 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

7 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

8 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

9 3D HNCA

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

10 3D 1H-13C NOESY aliphatic 13C/15N filtered

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

11 3D 1H-15N NOESY 13C/15N filtered

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

12 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

13 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 0.45 mM Tryptophan hydroxylase 2 (GP+ 48 to 145), 2.6 mM [U-13C; U-15N] L-Phe, 20 mM sodium phosphate, 100 mM ammonium sulfate, 125 uM DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
6	Tryptophan hydroxylase 2 (GP+ 48 to 145)	none	0.45 mM
7	L-Phe	[U-13C; U-15N]	2.6 mM
8	sodium phosphate	none	20 mM
9	ammonium sulfate	none	100 mM
10	DSS	none	125 uM

14 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
6	Tryptophan hydroxylase 2 (GP+ 48 to 145)	none	0.45 mM
7	L-Phe	[U-13C; U-15N]	2.6 mM
8	sodium phosphate	none	20 mM
9	ammonium sulfate	none	100 mM
10	DSS	none	125 uM

15 2D 1H-13C HSQC aliphatic amino acid specific

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

16 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Tryptophan hydroxylase 2 (GP+ 48 to 145)	[U-99% 13C; U-99% 15N]	1.1 mM
2	L-Phe	none	10 mM
3	sodium phosphate	none	20 mM
4	ammonium sulfate	none	100 mM
5	DSS	none	125 uM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34698_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: bmr34698_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	888	84.0 (chain: 1, length: 100)
2	Assigned chemical shifts	assigned_chemical_shifts_2	OK	15	100.0 (chain: 2, length: 1)
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: 84.0%
- Total number of assignments
  - ¹³C chemical shifts: 334
  - ¹H chemical shifts: 479
  - ¹⁵N chemical shifts: 75
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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
Saveframe: assigned_chemical_shifts_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 7
  - ¹H chemical shifts: 8
- Completeness of assignments
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	454	334	73.6
¹H chemical shifts	621	373	60.1
¹⁵N chemical shifts	114	75	65.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	200	158	79.0
¹H chemical shifts	204	150	73.5
¹⁵N chemical shifts	97	75	77.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	254	176	69.3
¹H chemical shifts	417	223	53.5
¹⁵N chemical shifts	17	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	56	53	94.6
¹H chemical shifts	56	53	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	32	9	28.1
¹H chemical shifts	33	4	12.1
¹⁵N chemical shifts	1	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	8	7	87.5
¹H chemical shifts	9	8	88.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	2	1	50.0
¹H chemical shifts	2	1	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	6	6	100.0
¹H chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	5	5	100.0
¹H chemical shifts	5	5	100.0

Keywords OXIDOREDUCTASE, Tryptophan hydroxylase 2, aromatic amino acid hydroxylase, serotonin biosynthesis

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Found 1 Document (0.54 seconds)

BMRB: 34698

Related entities 1. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity 1, : 1 : 3 : 20 entities Detail

Interaction partners 1. Tryptophan 5-hydroxylase 2 (E.C.1.14.16.4), entity 1, : 1 interactors Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 5 contents Detail