BMRBj - BMREntryMaster

Found 1 Document (0.702 seconds)

BMRB: 31080

3PFQ

BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC

Authors

Dixit, K., Yang, Y., Chen, X.R., Igumenova, T.I.

Assembly

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13)

Entity

1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 1 (polymer), 163 monomers, 18243.07 Da Detail

MADEEKLPPG WEKRMSRSSG RVYYFNHITN ASQWERPSGN SSSGGKNGQG EPARVRCSHL LVKHSQSRRP SSWRQEKITR TKEEALELIN GYIQKIKSGE EDFESLASQF SDCSSAKARG DLGAFSRGQM QKPFEDASFA LRTGEMSGPV FTDSGIHIIL RTE

2. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 2 (polymer, Thiol state: not present), 25 monomers, 2851.878 Da Detail

XVLXPPDQEV IRNIDQSEFE GFXFX

Total weight

21094.95 Da

Max. entity weight

18243.07 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemical Shifts 1

¹H: 949, ¹³C: 645, ¹⁵N: 182 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	ALA	HA	H	4.375	0.014	1
2	1	2	ALA	HB1	H	1.411	0.010	1
3	1	2	ALA	HB2	H	1.411	0.010	1
4	1	2	ALA	HB3	H	1.411	0.010	1
5	1	2	ALA	C	C	177.149	0.000	1
6	1	2	ALA	CA	C	52.712	0.018	1
7	1	2	ALA	CB	C	19.143	0.072	1
8	1	3	ASP	H	H	8.451	0.025	1
9	1	3	ASP	HA	H	4.540	0.010	1
10	1	3	ASP	HB2	H	2.710	0.010	2
11	1	3	ASP	HB3	H	2.614	0.000	2
12	1	3	ASP	C	C	176.435	0.000	1
13	1	3	ASP	CA	C	54.768	0.019	1
14	1	3	ASP	CB	C	41.066	0.034	1
15	1	3	ASP	N	N	120.310	0.059	1
16	1	4	GLU	H	H	8.420	0.019	1
17	1	4	GLU	HA	H	4.260	0.008	1
18	1	4	GLU	HB2	H	2.052	0.008	2
19	1	4	GLU	HB3	H	1.963	0.009	2
20	1	4	GLU	HG2	H	2.281	0.000	1
21	1	4	GLU	C	C	176.465	0.003	1
22	1	4	GLU	CA	C	56.771	0.040	1
23	1	4	GLU	CB	C	30.380	0.039	1
24	1	4	GLU	CG	C	36.336	0.017	1
25	1	4	GLU	N	N	120.806	0.089	1
26	1	5	GLU	H	H	8.360	0.023	1
27	1	5	GLU	HA	H	4.240	0.007	1
28	1	5	GLU	HB2	H	2.052	0.008	2
29	1	5	GLU	HB3	H	1.961	0.006	2
30	1	5	GLU	HG2	H	2.254	0.000	1
31	1	5	GLU	C	C	176.196	0.005	1
32	1	5	GLU	CA	C	56.507	0.024	1
33	1	5	GLU	CB	C	30.362	0.046	1
34	1	5	GLU	CG	C	36.377	0.001	1
35	1	5	GLU	N	N	122.025	0.039	1
36	1	6	LYS	H	H	8.245	0.021	1
37	1	6	LYS	HA	H	4.294	0.012	1
38	1	6	LYS	HB2	H	1.841	0.010	2
39	1	6	LYS	HB3	H	1.746	0.016	2
40	1	6	LYS	HG2	H	1.476	0.000	1
41	1	6	LYS	HE2	H	3.036	0.000	1
42	1	6	LYS	C	C	176.329	0.023	1
43	1	6	LYS	CA	C	56.338	0.026	1
44	1	6	LYS	CB	C	32.751	0.043	1
45	1	6	LYS	CG	C	24.680	0.018	1
46	1	6	LYS	CD	C	29.115	0.000	1
47	1	6	LYS	CE	C	42.213	0.021	1
48	1	6	LYS	N	N	123.510	0.050	1
49	1	7	LEU	H	H	8.535	0.023	1
50	1	7	LEU	HA	H	4.608	0.006	1
51	1	7	LEU	HB2	H	1.813	0.010	2
52	1	7	LEU	HB3	H	1.412	0.012	2
53	1	7	LEU	HD11	H	0.797	0.000	2
54	1	7	LEU	HD12	H	0.797	0.000	2
55	1	7	LEU	HD13	H	0.797	0.000	2
56	1	7	LEU	HD21	H	1.054	0.000	2
57	1	7	LEU	HD22	H	1.054	0.000	2
58	1	7	LEU	HD23	H	1.054	0.000	2
59	1	7	LEU	C	C	174.186	0.000	1
60	1	7	LEU	CA	C	52.734	0.034	1
61	1	7	LEU	CB	C	42.149	0.016	1
62	1	7	LEU	CD2	C	23.548	0.077	1
63	1	7	LEU	N	N	124.996	0.050	1
64	1	8	PRO	HA	H	4.846	0.000	1
65	1	8	PRO	HB2	H	2.589	0.000	1
66	1	8	PRO	HG2	H	2.239	0.000	1
67	1	8	PRO	HD2	H	3.519	0.000	1
68	1	9	PRO	HA	H	4.374	0.000	1
69	1	9	PRO	HB2	H	2.367	0.000	2
70	1	9	PRO	HB3	H	1.916	0.018	2
71	1	9	PRO	HG2	H	2.081	0.000	2
72	1	9	PRO	HG3	H	2.176	0.000	2
73	1	9	PRO	HD2	H	3.665	0.000	2
74	1	9	PRO	HD3	H	3.929	0.000	2
75	1	9	PRO	C	C	177.013	0.001	1
76	1	9	PRO	CA	C	64.360	0.049	1
77	1	9	PRO	CB	C	31.979	0.043	1
78	1	9	PRO	CG	C	27.688	0.105	1
79	1	9	PRO	CD	C	50.509	0.010	1
80	1	10	GLY	H	H	8.710	0.024	1
81	1	10	GLY	HA2	H	4.014	0.006	2
82	1	10	GLY	HA3	H	3.176	0.017	2
83	1	10	GLY	C	C	172.861	0.009	1
84	1	10	GLY	CA	C	45.007	0.056	1
85	1	10	GLY	N	N	111.842	0.061	1
86	1	11	TRP	H	H	7.395	0.026	1
87	1	11	TRP	HA	H	5.231	0.011	1
88	1	11	TRP	HB2	H	3.253	0.011	2
89	1	11	TRP	HB3	H	2.974	0.006	2
90	1	11	TRP	HD1	H	6.959	0.009	1
91	1	11	TRP	HE1	H	10.452	0.026	1
92	1	11	TRP	HE3	H	7.387	0.000	1
93	1	11	TRP	HZ2	H	7.421	0.000	1
94	1	11	TRP	HH2	H	6.985	0.000	1
95	1	11	TRP	C	C	176.354	0.006	1
96	1	11	TRP	CA	C	57.307	0.035	1
97	1	11	TRP	CB	C	32.347	0.023	1
98	1	11	TRP	CD1	C	127.800	0.000	1
99	1	11	TRP	CE3	C	120.404	0.000	1
100	1	11	TRP	CZ2	C	114.902	0.000	1
101	1	11	TRP	N	N	117.547	0.065	1
102	1	11	TRP	NE1	N	129.247	0.028	1
103	1	12	GLU	H	H	9.775	0.025	1
104	1	12	GLU	HA	H	4.856	0.011	1
105	1	12	GLU	HB2	H	2.270	0.013	2
106	1	12	GLU	HB3	H	2.205	0.001	2
107	1	12	GLU	HG2	H	2.580	0.001	1
108	1	12	GLU	C	C	174.125	0.004	1
109	1	12	GLU	CA	C	54.698	0.050	1
110	1	12	GLU	CB	C	34.541	0.037	1
111	1	12	GLU	CG	C	36.411	0.048	1
112	1	12	GLU	N	N	120.435	0.058	1
113	1	13	LYS	H	H	8.831	0.024	1
114	1	13	LYS	HA	H	4.516	0.008	1
115	1	13	LYS	HB2	H	1.685	0.030	2
116	1	13	LYS	HB3	H	1.647	0.014	2
117	1	13	LYS	HG2	H	1.226	0.000	2
118	1	13	LYS	HG3	H	1.102	0.000	2
119	1	13	LYS	HE2	H	2.967	0.003	1
120	1	13	LYS	C	C	175.614	0.002	1
121	1	13	LYS	CA	C	56.096	0.074	1
122	1	13	LYS	CB	C	34.005	0.051	1
123	1	13	LYS	CG	C	25.343	0.059	1
124	1	13	LYS	CD	C	29.853	0.000	1
125	1	13	LYS	CE	C	42.058	0.011	1
126	1	13	LYS	N	N	124.217	0.054	1
127	1	14	ARG	H	H	8.696	0.023	1
128	1	14	ARG	HA	H	4.365	0.009	1
129	1	14	ARG	HB2	H	1.175	0.019	2
130	1	14	ARG	HB3	H	0.083	0.009	2
131	1	14	ARG	HG2	H	1.328	0.013	2
132	1	14	ARG	HG3	H	1.206	0.000	2
133	1	14	ARG	HD2	H	2.775	0.017	2
134	1	14	ARG	HD3	H	2.960	0.014	2
135	1	14	ARG	HE	H	6.961	0.021	1
136	1	14	ARG	HH21	H	6.400	0.000	1
137	1	14	ARG	C	C	173.041	0.009	1
138	1	14	ARG	CA	C	54.064	0.102	1
139	1	14	ARG	CB	C	34.205	0.044	1
140	1	14	ARG	CG	C	28.038	0.031	1
141	1	14	ARG	CD	C	43.259	0.117	1
142	1	14	ARG	CZ	C	159.102	0.000	1
143	1	14	ARG	N	N	126.219	0.068	1
144	1	14	ARG	NE	N	83.831	0.051	1
145	1	14	ARG	NH2	N	71.869	0.000	1
146	1	15	MET	H	H	8.066	0.025	1
147	1	15	MET	HA	H	4.941	0.008	1
148	1	15	MET	HB2	H	1.789	0.010	1
149	1	15	MET	HG2	H	2.456	0.002	2
150	1	15	MET	HG3	H	2.333	0.000	2
151	1	15	MET	HE1	H	2.029	0.000	1
152	1	15	MET	HE2	H	2.029	0.000	1
153	1	15	MET	HE3	H	2.029	0.000	1
154	1	15	MET	C	C	177.170	0.006	1
155	1	15	MET	CA	C	53.902	0.062	1
156	1	15	MET	CB	C	34.640	0.056	1
157	1	15	MET	CG	C	31.972	0.028	1
158	1	15	MET	CE	C	16.730	0.000	1
159	1	15	MET	N	N	116.810	0.047	1
160	1	16	SER	H	H	9.286	0.022	1
161	1	16	SER	HA	H	4.987	0.009	1
162	1	16	SER	HB2	H	4.272	0.008	2
163	1	16	SER	HB3	H	4.401	0.000	2
164	1	16	SER	CA	C	57.736	0.018	1
165	1	16	SER	CB	C	63.792	0.028	1
166	1	16	SER	N	N	120.868	0.054	1
167	1	17	ARG	H	H	9.295	0.000	1
168	1	17	ARG	HA	H	4.086	0.018	1
169	1	17	ARG	HB2	H	1.997	0.000	1
170	1	17	ARG	HE	H	8.313	0.004	1
171	1	17	ARG	C	C	178.290	0.000	1
172	1	17	ARG	CA	C	58.594	0.087	1
173	1	17	ARG	CB	C	30.423	0.050	1
174	1	17	ARG	CG	C	26.735	0.038	1
175	1	17	ARG	CD	C	43.360	0.005	1
176	1	17	ARG	N	N	130.880	0.000	1
177	1	17	ARG	NE	N	85.521	0.066	1
178	1	18	SER	H	H	8.648	0.024	1
179	1	18	SER	HA	H	4.423	0.009	1
180	1	18	SER	HB2	H	3.903	0.000	2
181	1	18	SER	HB3	H	4.066	0.000	2
182	1	18	SER	C	C	175.847	0.042	1
183	1	18	SER	CA	C	60.137	0.009	1
184	1	18	SER	CB	C	63.519	0.048	1
185	1	18	SER	N	N	112.997	0.069	1
186	1	19	SER	H	H	7.917	0.022	1
187	1	19	SER	HA	H	4.757	0.008	1
188	1	19	SER	HB2	H	4.035	0.008	2
189	1	19	SER	HB3	H	3.893	0.000	2
190	1	19	SER	C	C	175.863	0.000	1
191	1	19	SER	CA	C	58.332	0.068	1
192	1	19	SER	CB	C	66.654	0.046	1
193	1	19	SER	N	N	112.676	0.071	1
194	1	20	GLY	H	H	7.950	0.024	1
195	1	20	GLY	HA2	H	4.173	0.009	2
196	1	20	GLY	HA3	H	3.940	0.013	2
197	1	20	GLY	C	C	173.141	0.007	1
198	1	20	GLY	CA	C	46.437	0.060	1
199	1	20	GLY	N	N	112.396	0.044	1
200	1	21	ARG	H	H	7.608	0.027	1
201	1	21	ARG	HA	H	4.432	0.007	1
202	1	21	ARG	HB2	H	1.782	0.002	2
203	1	21	ARG	HB3	H	2.066	0.014	2
204	1	21	ARG	HG2	H	1.682	0.000	2
205	1	21	ARG	HG3	H	1.783	0.000	2
206	1	21	ARG	HD2	H	2.668	0.009	2
207	1	21	ARG	HD3	H	2.866	0.008	2
208	1	21	ARG	HE	H	6.672	0.022	1
209	1	21	ARG	HH21	H	6.111	0.000	1
210	1	21	ARG	C	C	176.003	0.002	1
211	1	21	ARG	CA	C	56.416	0.014	1
212	1	21	ARG	CB	C	32.947	0.054	1
213	1	21	ARG	CG	C	27.188	0.047	1
214	1	21	ARG	CD	C	43.442	0.017	1
215	1	21	ARG	CZ	C	158.885	0.000	1
216	1	21	ARG	N	N	119.465	0.059	1
217	1	21	ARG	NE	N	83.731	0.051	1
218	1	22	VAL	H	H	8.470	0.025	1
219	1	22	VAL	HA	H	4.682	0.007	1
220	1	22	VAL	HB	H	1.977	0.010	1
221	1	22	VAL	HG11	H	0.805	0.000	2
222	1	22	VAL	HG12	H	0.805	0.000	2
223	1	22	VAL	HG13	H	0.805	0.000	2
224	1	22	VAL	HG21	H	1.049	0.009	2
225	1	22	VAL	HG22	H	1.049	0.009	2
226	1	22	VAL	HG23	H	1.049	0.009	2
227	1	22	VAL	C	C	175.268	0.004	1
228	1	22	VAL	CA	C	62.462	0.073	1
229	1	22	VAL	CB	C	33.044	0.046	1
230	1	22	VAL	CG1	C	21.462	0.000	2
231	1	22	VAL	CG2	C	22.209	0.026	2
232	1	22	VAL	N	N	124.240	0.075	1
233	1	23	TYR	H	H	8.657	0.027	1
234	1	23	TYR	HA	H	4.892	0.008	1
235	1	23	TYR	HB2	H	2.455	0.006	2
236	1	23	TYR	HB3	H	2.779	0.011	2
237	1	23	TYR	HD1	H	6.784	0.000	1
238	1	23	TYR	HD2	H	6.784	0.000	1
239	1	23	TYR	HE1	H	6.261	0.000	1
240	1	23	TYR	HE2	H	6.261	0.000	1
241	1	23	TYR	C	C	170.806	0.006	1
242	1	23	TYR	CA	C	55.412	0.042	1
243	1	23	TYR	CB	C	39.690	0.030	1
244	1	23	TYR	CD1	C	133.703	0.000	1
245	1	23	TYR	CD2	C	133.703	0.000	1
246	1	23	TYR	CE1	C	117.858	0.000	1
247	1	23	TYR	CE2	C	117.858	0.000	1
248	1	23	TYR	N	N	122.247	0.108	1
249	1	24	TYR	H	H	8.904	0.025	1
250	1	24	TYR	HA	H	5.325	0.010	1
251	1	24	TYR	HB2	H	2.973	0.009	2
252	1	24	TYR	HB3	H	2.726	0.018	2
253	1	24	TYR	HD1	H	6.835	0.000	1
254	1	24	TYR	HD2	H	6.835	0.000	1
255	1	24	TYR	HE1	H	6.752	0.000	1
256	1	24	TYR	HE2	H	6.752	0.000	1
257	1	24	TYR	C	C	174.331	0.006	1
258	1	24	TYR	CA	C	57.388	0.033	1
259	1	24	TYR	CB	C	41.569	0.040	1
260	1	24	TYR	CD1	C	133.786	0.000	1
261	1	24	TYR	CD2	C	133.786	0.000	1
262	1	24	TYR	CE1	C	117.272	0.000	1
263	1	24	TYR	CE2	C	117.272	0.000	1
264	1	24	TYR	N	N	116.583	0.060	1
265	1	25	PHE	H	H	9.439	0.026	1
266	1	25	PHE	HA	H	5.675	0.010	1
267	1	25	PHE	HB2	H	2.999	0.000	2
268	1	25	PHE	HB3	H	2.567	0.010	2
269	1	25	PHE	HD1	H	6.937	0.000	1
270	1	25	PHE	HD2	H	6.937	0.000	1
271	1	25	PHE	HE1	H	6.913	0.000	1
272	1	25	PHE	HE2	H	6.913	0.000	1
273	1	25	PHE	HZ	H	7.305	0.000	1
274	1	25	PHE	C	C	172.380	0.003	1
275	1	25	PHE	CA	C	55.607	0.023	1
276	1	25	PHE	CB	C	44.553	0.059	1
277	1	25	PHE	CD1	C	131.538	0.000	1
278	1	25	PHE	CD2	C	131.538	0.000	1
279	1	25	PHE	N	N	124.643	0.054	1
280	1	26	ASN	H	H	8.234	0.026	1
281	1	26	ASN	HA	H	4.287	0.033	1
282	1	26	ASN	HB2	H	-0.660	0.000	2
283	1	26	ASN	HB3	H	2.035	0.000	2
284	1	26	ASN	HD21	H	6.516	0.005	1
285	1	26	ASN	HD22	H	4.235	0.000	1
286	1	26	ASN	C	C	174.613	0.007	1
287	1	26	ASN	CA	C	50.546	0.050	1
288	1	26	ASN	CB	C	38.006	0.016	1
289	1	26	ASN	N	N	128.970	0.057	1
290	1	26	ASN	ND2	N	109.403	0.166	1
291	1	27	HIS	H	H	8.012	0.024	1
292	1	27	HIS	HA	H	4.059	0.005	1
293	1	27	HIS	HB2	H	3.360	0.006	2
294	1	27	HIS	HB3	H	3.029	0.008	2
295	1	27	HIS	HD1	H	7.020	0.000	1
296	1	27	HIS	HD2	H	7.008	0.000	1
297	1	27	HIS	C	C	175.343	0.002	1
298	1	27	HIS	CA	C	57.170	0.037	1
299	1	27	HIS	CB	C	28.938	0.036	1
300	1	27	HIS	CD2	C	120.773	0.000	1
301	1	27	HIS	N	N	120.167	0.043	1
302	1	28	ILE	H	H	8.276	0.025	1
303	1	28	ILE	HA	H	3.856	0.012	1
304	1	28	ILE	HB	H	1.969	0.009	1
305	1	28	ILE	HG12	H	0.972	0.003	2
306	1	28	ILE	HG13	H	1.255	0.003	2
307	1	28	ILE	HG21	H	0.771	0.002	1
308	1	28	ILE	HG22	H	0.771	0.002	1
309	1	28	ILE	HG23	H	0.771	0.002	1
310	1	28	ILE	HD11	H	0.718	0.011	1
311	1	28	ILE	HD12	H	0.718	0.011	1
312	1	28	ILE	HD13	H	0.718	0.011	1
313	1	28	ILE	C	C	177.784	0.005	1
314	1	28	ILE	CA	C	63.461	0.054	1
315	1	28	ILE	CB	C	37.142	0.048	1
316	1	28	ILE	CG1	C	27.880	0.030	1
317	1	28	ILE	CG2	C	17.088	0.024	1
318	1	28	ILE	CD1	C	12.157	0.033	1
319	1	28	ILE	N	N	121.942	0.050	1
320	1	29	THR	H	H	7.293	0.024	1
321	1	29	THR	HA	H	4.054	0.009	1
322	1	29	THR	HB	H	4.209	0.006	1
323	1	29	THR	HG21	H	0.930	0.010	1
324	1	29	THR	HG22	H	0.930	0.010	1
325	1	29	THR	HG23	H	0.930	0.010	1
326	1	29	THR	C	C	175.751	0.002	1
327	1	29	THR	CA	C	61.346	0.034	1
328	1	29	THR	CB	C	69.854	0.060	1
329	1	29	THR	CG2	C	21.306	0.041	1
330	1	29	THR	N	N	107.883	0.056	1
331	1	30	ASN	H	H	7.955	0.024	1
332	1	30	ASN	HA	H	4.229	0.008	1
333	1	30	ASN	HB2	H	3.135	0.011	2
334	1	30	ASN	HB3	H	2.856	0.011	2
335	1	30	ASN	HD21	H	7.420	0.028	1
336	1	30	ASN	HD22	H	6.732	0.025	1
337	1	30	ASN	C	C	173.088	0.008	1
338	1	30	ASN	CA	C	54.981	0.077	1
339	1	30	ASN	CB	C	37.486	0.042	1
340	1	30	ASN	N	N	118.190	0.049	1
341	1	30	ASN	ND2	N	112.050	0.159	1
342	1	31	ALA	H	H	7.105	0.025	1
343	1	31	ALA	HA	H	4.503	0.010	1
344	1	31	ALA	HB1	H	1.258	0.007	1
345	1	31	ALA	HB2	H	1.258	0.007	1
346	1	31	ALA	HB3	H	1.258	0.007	1
347	1	31	ALA	C	C	175.571	0.002	1
348	1	31	ALA	CA	C	52.039	0.025	1
349	1	31	ALA	CB	C	21.047	0.026	1
350	1	31	ALA	N	N	121.244	0.052	1
351	1	32	SER	H	H	8.305	0.025	1
352	1	32	SER	HA	H	6.075	0.017	1
353	1	32	SER	HB2	H	3.994	0.003	2
354	1	32	SER	HB3	H	3.915	0.010	2
355	1	32	SER	C	C	174.034	0.005	1
356	1	32	SER	CA	C	56.136	0.069	1
357	1	32	SER	CB	C	67.251	0.026	1
358	1	32	SER	N	N	112.703	0.060	1
359	1	33	GLN	H	H	9.444	0.025	1
360	1	33	GLN	HA	H	4.873	0.013	1
361	1	33	GLN	HB2	H	2.267	0.021	2
362	1	33	GLN	HB3	H	2.736	0.000	2
363	1	33	GLN	HG2	H	2.553	0.000	1
364	1	33	GLN	HE21	H	7.541	0.000	1
365	1	33	GLN	HE22	H	6.620	0.031	1
366	1	33	GLN	C	C	174.571	0.008	1
367	1	33	GLN	CA	C	54.638	0.070	1
368	1	33	GLN	CB	C	31.723	0.083	1
369	1	33	GLN	CG	C	31.577	0.000	1
370	1	33	GLN	N	N	115.931	0.061	1
371	1	33	GLN	NE2	N	113.131	0.031	1
372	1	34	TRP	H	H	8.853	0.025	1
373	1	34	TRP	HA	H	4.949	0.008	1
374	1	34	TRP	HB2	H	3.552	0.007	2
375	1	34	TRP	HB3	H	3.177	0.005	2
376	1	34	TRP	HD1	H	7.397	0.010	1
377	1	34	TRP	HE1	H	9.600	0.004	1
378	1	34	TRP	HE3	H	8.212	0.000	1
379	1	34	TRP	HZ2	H	7.257	0.000	1
380	1	34	TRP	HZ3	H	6.848	0.000	1
381	1	34	TRP	HH2	H	6.941	0.000	1
382	1	34	TRP	C	C	177.457	0.005	1
383	1	34	TRP	CA	C	59.381	0.069	1
384	1	34	TRP	CB	C	31.072	0.043	1
385	1	34	TRP	CD1	C	127.782	0.000	1
386	1	34	TRP	CZ2	C	115.701	0.000	1
387	1	34	TRP	N	N	121.555	0.089	1
388	1	34	TRP	NE1	N	128.634	0.010	1
389	1	35	GLU	H	H	8.299	0.026	1
390	1	35	GLU	HA	H	4.324	0.015	1
391	1	35	GLU	HB2	H	1.945	0.008	2
392	1	35	GLU	HB3	H	1.847	0.008	2
393	1	35	GLU	HG2	H	2.366	0.000	2
394	1	35	GLU	HG3	H	2.282	0.013	2
395	1	35	GLU	C	C	175.872	0.002	1
396	1	35	GLU	CA	C	56.466	0.025	1
397	1	35	GLU	CB	C	30.028	0.025	1
398	1	35	GLU	CG	C	36.515	0.011	1
399	1	35	GLU	N	N	117.091	0.066	1
400	1	36	ARG	H	H	8.457	0.025	1
401	1	36	ARG	HA	H	2.719	0.009	1
402	1	36	ARG	HB2	H	1.391	0.008	1
403	1	36	ARG	HG2	H	1.197	0.001	2
404	1	36	ARG	HG3	H	0.953	0.001	2
405	1	36	ARG	HD2	H	3.014	0.015	2
406	1	36	ARG	HD3	H	3.180	0.000	2
407	1	36	ARG	HE	H	7.222	0.001	1
408	1	36	ARG	C	C	174.638	0.000	1
409	1	36	ARG	CA	C	54.148	0.061	1
410	1	36	ARG	CB	C	29.871	0.015	1
411	1	36	ARG	CD	C	43.389	0.050	1
412	1	36	ARG	N	N	125.400	0.098	1
413	1	36	ARG	NE	N	85.410	0.147	1
414	1	37	PRO	HA	H	3.865	0.000	1
415	1	37	PRO	HB2	H	0.807	0.000	2
416	1	37	PRO	HB3	H	0.633	0.000	2
417	1	37	PRO	HG2	H	-0.028	0.006	2
418	1	37	PRO	HG3	H	0.595	0.010	2
419	1	37	PRO	HD2	H	2.503	0.000	2
420	1	37	PRO	HD3	H	2.299	0.000	2
421	1	37	PRO	C	C	175.261	0.002	1
422	1	37	PRO	CA	C	61.949	0.022	1
423	1	37	PRO	CB	C	31.138	0.044	1
424	1	37	PRO	CG	C	25.823	0.033	1
425	1	37	PRO	CD	C	49.955	0.002	1
426	1	38	SER	H	H	8.051	0.026	1
427	1	38	SER	HA	H	4.315	0.000	1
428	1	38	SER	HB2	H	3.777	0.027	2
429	1	38	SER	HB3	H	3.700	0.010	2
430	1	38	SER	C	C	174.879	0.013	1
431	1	38	SER	CA	C	57.661	0.056	1
432	1	38	SER	CB	C	64.608	0.025	1
433	1	38	SER	N	N	115.227	0.045	1
434	1	39	GLY	H	H	8.473	0.026	1
435	1	39	GLY	HA2	H	3.959	0.012	1
436	1	39	GLY	C	C	173.667	0.002	1
437	1	39	GLY	CA	C	45.281	0.053	1
438	1	39	GLY	N	N	110.549	0.058	1
439	1	40	ASN	H	H	8.372	0.027	1
440	1	40	ASN	HA	H	4.775	0.000	1
441	1	40	ASN	HB2	H	2.811	0.006	2
442	1	40	ASN	HB3	H	3.081	0.000	2
443	1	40	ASN	C	C	175.501	0.001	1
444	1	40	ASN	CA	C	53.214	0.059	1
445	1	40	ASN	CB	C	39.082	0.076	1
446	1	40	ASN	N	N	118.648	0.052	1
447	1	41	SER	H	H	8.379	0.026	1
448	1	41	SER	HA	H	4.483	0.016	1
449	1	41	SER	HB2	H	3.933	0.000	1
450	1	41	SER	C	C	174.771	0.017	1
451	1	41	SER	CA	C	58.639	0.056	1
452	1	41	SER	CB	C	63.790	0.053	1
453	1	41	SER	N	N	116.554	0.054	1
454	1	42	SER	H	H	8.435	0.023	1
455	1	42	SER	HA	H	4.535	0.010	1
456	1	42	SER	HB2	H	3.926	0.000	1
457	1	42	SER	C	C	174.791	0.031	1
458	1	42	SER	CA	C	58.563	0.063	1
459	1	42	SER	CB	C	63.811	0.065	1
460	1	42	SER	N	N	117.926	0.069	1
461	1	43	SER	H	H	8.344	0.024	1
462	1	43	SER	HA	H	4.493	0.006	1
463	1	43	SER	HB2	H	3.919	0.022	1
464	1	43	SER	C	C	175.069	0.000	1
465	1	43	SER	CA	C	58.609	0.047	1
466	1	43	SER	CB	C	63.866	0.048	1
467	1	43	SER	N	N	117.589	0.054	1
468	1	44	GLY	H	H	8.390	0.024	1
469	1	44	GLY	HA2	H	3.983	0.000	1
470	1	44	GLY	C	C	174.638	0.007	1
471	1	44	GLY	CA	C	45.498	0.024	1
472	1	44	GLY	N	N	110.707	0.057	1
473	1	45	GLY	H	H	8.235	0.029	1
474	1	45	GLY	HA2	H	3.965	0.008	1
475	1	45	GLY	C	C	174.399	0.010	1
476	1	45	GLY	CA	C	45.258	0.051	1
477	1	45	GLY	N	N	108.639	0.034	1
478	1	46	LYS	H	H	8.260	0.026	1
479	1	46	LYS	HA	H	4.342	0.026	1
480	1	46	LYS	HB2	H	1.824	0.021	1
481	1	46	LYS	HG2	H	1.409	0.018	1
482	1	46	LYS	HD2	H	1.704	0.013	1
483	1	46	LYS	HE2	H	2.995	0.001	1
484	1	46	LYS	C	C	176.688	0.010	1
485	1	46	LYS	CA	C	56.491	0.014	1
486	1	46	LYS	CB	C	32.910	0.056	1
487	1	46	LYS	CG	C	24.662	0.036	1
488	1	46	LYS	CD	C	29.048	0.014	1
489	1	46	LYS	CE	C	42.171	0.053	1
490	1	46	LYS	N	N	120.857	0.089	1
491	1	47	ASN	H	H	8.529	0.023	1
492	1	47	ASN	HA	H	4.707	0.011	1
493	1	47	ASN	HB2	H	3.116	0.000	2
494	1	47	ASN	HB3	H	2.859	0.011	2
495	1	47	ASN	C	C	175.786	0.001	1
496	1	47	ASN	CA	C	53.422	0.069	1
497	1	47	ASN	CB	C	38.894	0.068	1
498	1	47	ASN	N	N	119.298	0.054	1
499	1	48	GLY	H	H	8.341	0.028	1
500	1	48	GLY	HA2	H	3.953	0.008	1
501	1	48	GLY	C	C	174.293	0.005	1
502	1	48	GLY	CA	C	45.648	0.055	1
503	1	48	GLY	N	N	109.219	0.059	1
504	1	49	GLN	H	H	8.202	0.027	1
505	1	49	GLN	HA	H	4.371	0.009	1
506	1	49	GLN	HB2	H	2.160	0.013	2
507	1	49	GLN	HB3	H	2.008	0.007	2
508	1	49	GLN	HG2	H	2.360	0.014	1
509	1	49	GLN	HE21	H	7.561	0.026	1
510	1	49	GLN	HE22	H	6.843	0.026	1
511	1	49	GLN	C	C	176.457	0.029	1
512	1	49	GLN	CA	C	55.990	0.040	1
513	1	49	GLN	CB	C	29.407	0.053	1
514	1	49	GLN	CG	C	33.871	0.035	1
515	1	49	GLN	N	N	119.607	0.048	1
516	1	49	GLN	NE2	N	112.318	0.252	1
517	1	50	GLY	H	H	8.429	0.025	1
518	1	50	GLY	HA2	H	3.953	0.008	1
519	1	50	GLY	C	C	173.547	0.004	1
520	1	50	GLY	CA	C	45.015	0.077	1
521	1	50	GLY	N	N	110.077	0.048	1
522	1	51	GLU	H	H	8.216	0.027	1
523	1	51	GLU	HA	H	4.659	0.008	1
524	1	51	GLU	HB2	H	2.039	0.011	2
525	1	51	GLU	HB3	H	2.003	0.003	2
526	1	51	GLU	HG2	H	2.375	0.000	1
527	1	51	GLU	C	C	174.291	0.000	1
528	1	51	GLU	CA	C	54.256	0.056	1
529	1	51	GLU	CB	C	30.123	0.017	1
530	1	51	GLU	N	N	121.892	0.074	1
531	1	52	PRO	HA	H	4.531	0.009	1
532	1	52	PRO	HB2	H	2.315	0.000	2
533	1	52	PRO	HB3	H	2.015	0.000	2
534	1	52	PRO	HG2	H	1.978	0.000	2
535	1	52	PRO	HG3	H	1.997	0.000	2
536	1	52	PRO	HD2	H	3.831	0.000	1
537	1	52	PRO	C	C	176.213	0.001	1
538	1	52	PRO	CA	C	62.681	0.066	1
539	1	52	PRO	CB	C	32.196	0.047	1
540	1	52	PRO	CG	C	27.414	0.000	1
541	1	52	PRO	CD	C	50.580	0.000	1
542	1	53	ALA	H	H	8.597	0.024	1
543	1	53	ALA	HA	H	4.271	0.009	1
544	1	53	ALA	HB1	H	1.490	0.006	1
545	1	53	ALA	HB2	H	1.490	0.006	1
546	1	53	ALA	HB3	H	1.490	0.006	1
547	1	53	ALA	C	C	177.919	0.005	1
548	1	53	ALA	CA	C	53.677	0.039	1
549	1	53	ALA	CB	C	19.317	0.044	1
550	1	53	ALA	N	N	122.921	0.058	1
551	1	54	ARG	H	H	7.733	0.025	1
552	1	54	ARG	HA	H	5.032	0.011	1
553	1	54	ARG	HB2	H	1.526	0.000	1
554	1	54	ARG	HG2	H	1.429	0.001	1
555	1	54	ARG	HD2	H	3.000	0.009	1
556	1	54	ARG	HE	H	7.175	0.028	1
557	1	54	ARG	C	C	174.558	0.011	1
558	1	54	ARG	CA	C	54.542	0.064	1
559	1	54	ARG	CB	C	34.155	0.013	1
560	1	54	ARG	CG	C	26.683	0.012	1
561	1	54	ARG	CD	C	43.773	0.037	1
562	1	54	ARG	CZ	C	159.487	0.000	1
563	1	54	ARG	N	N	115.854	0.062	1
564	1	54	ARG	NE	N	84.234	0.064	1
565	1	55	VAL	H	H	7.893	0.025	1
566	1	55	VAL	HA	H	4.335	0.008	1
567	1	55	VAL	HB	H	1.357	0.008	1
568	1	55	VAL	HG11	H	0.087	0.011	2
569	1	55	VAL	HG12	H	0.087	0.011	2
570	1	55	VAL	HG13	H	0.087	0.011	2
571	1	55	VAL	HG21	H	-0.584	0.010	2
572	1	55	VAL	HG22	H	-0.584	0.010	2
573	1	55	VAL	HG23	H	-0.584	0.010	2
574	1	55	VAL	C	C	172.153	0.005	1
575	1	55	VAL	CA	C	58.930	0.068	1
576	1	55	VAL	CB	C	35.031	0.055	1
577	1	55	VAL	CG1	C	20.969	0.000	2
578	1	55	VAL	CG2	C	17.939	0.000	2
579	1	55	VAL	N	N	114.037	0.163	1
580	1	56	ARG	H	H	8.178	0.028	1
581	1	56	ARG	HA	H	4.838	0.016	1
582	1	56	ARG	HB2	H	1.736	0.002	1
583	1	56	ARG	HG2	H	1.221	0.017	2
584	1	56	ARG	HG3	H	1.391	0.000	2
585	1	56	ARG	HD2	H	2.935	0.000	1
586	1	56	ARG	HE	H	7.583	0.004	1
587	1	56	ARG	C	C	175.860	0.014	1
588	1	56	ARG	CA	C	54.984	0.055	1
589	1	56	ARG	CB	C	34.277	0.046	1
590	1	56	ARG	CG	C	26.951	0.036	1
591	1	56	ARG	CD	C	44.093	0.000	1
592	1	56	ARG	N	N	121.033	0.068	1
593	1	56	ARG	NE	N	84.201	0.041	1
594	1	57	CYS	H	H	7.241	0.028	1
595	1	57	CYS	HA	H	5.736	0.011	1
596	1	57	CYS	HB2	H	3.076	0.035	2
597	1	57	CYS	HB3	H	2.852	0.000	2
598	1	57	CYS	C	C	173.088	0.010	1
599	1	57	CYS	CA	C	56.090	0.028	1
600	1	57	CYS	CB	C	33.589	0.035	1
601	1	57	CYS	N	N	117.837	0.056	1
602	1	58	SER	H	H	9.351	0.023	1
603	1	58	SER	HA	H	5.884	0.014	1
604	1	58	SER	HB2	H	3.918	0.017	2
605	1	58	SER	HB3	H	3.421	0.019	2
606	1	58	SER	C	C	173.112	0.000	1
607	1	58	SER	CA	C	56.222	0.036	1
608	1	58	SER	CB	C	66.139	0.065	1
609	1	58	SER	N	N	116.320	0.059	1
610	1	59	HIS	H	H	9.706	0.025	1
611	1	59	HIS	HA	H	6.211	0.016	1
612	1	59	HIS	HB2	H	3.233	0.022	2
613	1	59	HIS	HB3	H	3.591	0.011	2
614	1	59	HIS	HD2	H	7.024	0.000	1
615	1	59	HIS	C	C	171.774	0.009	1
616	1	59	HIS	CA	C	54.546	0.053	1
617	1	59	HIS	CB	C	37.171	0.064	1
618	1	59	HIS	CD2	C	116.431	0.000	1
619	1	59	HIS	N	N	120.266	0.059	1
620	1	60	LEU	H	H	8.849	0.027	1
621	1	60	LEU	HA	H	3.895	0.000	1
622	1	60	LEU	HB2	H	1.488	0.004	2
623	1	60	LEU	HB3	H	1.040	0.010	2
624	1	60	LEU	HG	H	1.208	0.000	1
625	1	60	LEU	HD11	H	0.144	0.010	2
626	1	60	LEU	HD12	H	0.144	0.010	2
627	1	60	LEU	HD13	H	0.144	0.010	2
628	1	60	LEU	HD21	H	0.579	0.001	2
629	1	60	LEU	HD22	H	0.579	0.001	2
630	1	60	LEU	HD23	H	0.579	0.001	2
631	1	60	LEU	C	C	173.378	0.035	1
632	1	60	LEU	CA	C	55.892	0.022	1
633	1	60	LEU	CB	C	45.463	0.049	1
634	1	60	LEU	CD1	C	26.438	0.000	2
635	1	60	LEU	CD2	C	24.146	0.000	2
636	1	60	LEU	N	N	125.094	0.070	1
637	1	61	LEU	H	H	8.047	0.028	1
638	1	61	LEU	HA	H	4.654	0.000	1
639	1	61	LEU	HG	H	0.978	0.000	1
640	1	61	LEU	HD11	H	-0.348	0.009	2
641	1	61	LEU	HD12	H	-0.348	0.009	2
642	1	61	LEU	HD13	H	-0.348	0.009	2
643	1	61	LEU	HD21	H	0.707	0.000	2
644	1	61	LEU	HD22	H	0.707	0.000	2
645	1	61	LEU	HD23	H	0.707	0.000	2
646	1	61	LEU	C	C	173.914	0.036	1
647	1	61	LEU	CA	C	52.519	0.031	1
648	1	61	LEU	CB	C	45.222	0.073	1
649	1	61	LEU	CD1	C	19.948	0.036	2
650	1	61	LEU	CD2	C	27.135	0.095	2
651	1	61	LEU	N	N	127.074	0.110	1
652	1	62	VAL	H	H	9.491	0.026	1
653	1	62	VAL	HA	H	4.639	0.010	1
654	1	62	VAL	HB	H	1.827	0.013	1
655	1	62	VAL	HG11	H	1.174	0.010	2
656	1	62	VAL	HG12	H	1.174	0.010	2
657	1	62	VAL	HG13	H	1.174	0.010	2
658	1	62	VAL	HG21	H	0.954	0.013	2
659	1	62	VAL	HG22	H	0.954	0.013	2
660	1	62	VAL	HG23	H	0.954	0.013	2
661	1	62	VAL	C	C	176.250	0.014	1
662	1	62	VAL	CA	C	61.730	0.037	1
663	1	62	VAL	CB	C	33.162	0.029	1
664	1	62	VAL	CG1	C	22.495	0.045	2
665	1	62	VAL	CG2	C	21.662	0.046	2
666	1	62	VAL	N	N	128.188	0.101	1
667	1	63	LYS	H	H	9.128	0.028	1
668	1	63	LYS	HA	H	4.167	0.000	1
669	1	63	LYS	HB2	H	1.652	0.018	1
670	1	63	LYS	C	C	174.051	0.007	1
671	1	63	LYS	CA	C	56.894	0.048	1
672	1	63	LYS	CB	C	36.497	0.043	1
673	1	63	LYS	N	N	125.374	0.225	1
674	1	64	HIS	H	H	8.251	0.029	1
675	1	64	HIS	HA	H	4.685	0.010	1
676	1	64	HIS	HB2	H	3.122	0.010	1
677	1	64	HIS	HD2	H	6.480	0.000	1
678	1	64	HIS	HE1	H	7.493	0.000	1
679	1	64	HIS	C	C	176.536	0.006	1
680	1	64	HIS	CA	C	54.839	0.050	1
681	1	64	HIS	CB	C	33.725	0.060	1
682	1	64	HIS	CD2	C	116.160	0.000	1
683	1	64	HIS	CE1	C	139.814	0.000	1
684	1	64	HIS	N	N	114.040	0.063	1
685	1	65	SER	H	H	9.510	0.024	1
686	1	65	SER	HA	H	4.137	0.000	1
687	1	65	SER	HB2	H	3.685	0.011	2
688	1	65	SER	HB3	H	4.142	0.013	2
689	1	65	SER	C	C	175.578	0.000	1
690	1	65	SER	CA	C	61.048	0.115	1
691	1	65	SER	CB	C	63.259	0.066	1
692	1	65	SER	N	N	113.828	0.064	1
693	1	66	GLN	H	H	9.184	0.022	1
694	1	66	GLN	HA	H	4.693	0.010	1
695	1	66	GLN	HB2	H	2.629	0.000	2
696	1	66	GLN	HB3	H	2.067	0.000	2
697	1	66	GLN	HG2	H	2.480	0.000	1
698	1	66	GLN	HE21	H	6.906	0.027	1
699	1	66	GLN	HE22	H	7.623	0.025	1
700	1	66	GLN	C	C	176.282	0.007	1
701	1	66	GLN	CA	C	55.328	0.022	1
702	1	66	GLN	CB	C	29.410	0.055	1
703	1	66	GLN	CG	C	35.104	0.043	1
704	1	66	GLN	N	N	120.521	0.056	1
705	1	66	GLN	NE2	N	112.282	0.167	1
706	1	67	SER	H	H	7.845	0.023	1
707	1	67	SER	HA	H	4.776	0.000	1
708	1	67	SER	HB2	H	3.836	0.000	2
709	1	67	SER	HB3	H	3.576	0.000	2
710	1	67	SER	C	C	176.327	0.046	1
711	1	67	SER	CA	C	61.800	0.048	1
712	1	67	SER	CB	C	63.872	0.043	1
713	1	67	SER	N	N	121.424	0.056	1
714	1	68	ARG	H	H	8.154	0.027	1
715	1	68	ARG	HA	H	4.380	0.000	1
716	1	68	ARG	HB2	H	1.878	0.010	1
717	1	68	ARG	HD2	H	2.561	0.000	2
718	1	68	ARG	HD3	H	2.746	0.000	2
719	1	68	ARG	HE	H	6.797	0.000	1
720	1	68	ARG	HH21	H	6.379	0.000	1
721	1	68	ARG	C	C	176.596	0.007	1
722	1	68	ARG	CA	C	59.313	0.077	1
723	1	68	ARG	CB	C	29.756	0.013	1
724	1	68	ARG	N	N	122.610	0.142	1
725	1	68	ARG	NE	N	85.340	0.000	1
726	1	69	ARG	H	H	8.566	0.028	1
727	1	69	ARG	HA	H	4.618	0.000	1
728	1	69	ARG	HG2	H	1.699	0.000	2
729	1	69	ARG	HG3	H	2.044	0.000	2
730	1	69	ARG	HD2	H	3.174	0.000	1
731	1	69	ARG	HE	H	7.744	0.045	1
732	1	69	ARG	C	C	174.250	0.000	1
733	1	69	ARG	CA	C	53.148	0.048	1
734	1	69	ARG	CB	C	32.135	0.000	1
735	1	69	ARG	CG	C	26.582	0.000	1
736	1	69	ARG	CD	C	43.562	0.000	1
737	1	69	ARG	N	N	118.024	0.121	1
738	1	69	ARG	NE	N	84.933	0.028	1
739	1	70	PRO	HA	H	4.452	0.000	1
740	1	70	PRO	HB2	H	2.598	0.000	2
741	1	70	PRO	HB3	H	1.978	0.000	2
742	1	70	PRO	HG2	H	1.779	0.000	2
743	1	70	PRO	HG3	H	1.671	0.000	2
744	1	70	PRO	HD2	H	3.031	0.000	2
745	1	70	PRO	HD3	H	3.701	0.000	2
746	1	70	PRO	C	C	173.822	0.006	1
747	1	70	PRO	CA	C	62.500	0.055	1
748	1	70	PRO	CG	C	27.303	0.067	1
749	1	70	PRO	CD	C	50.370	0.000	1
750	1	71	SER	H	H	9.047	0.027	1
751	1	71	SER	HA	H	4.429	0.008	1
752	1	71	SER	HB2	H	3.756	0.000	2
753	1	71	SER	HB3	H	3.561	0.000	2
754	1	71	SER	C	C	172.243	0.009	1
755	1	71	SER	CA	C	58.123	0.058	1
756	1	71	SER	CB	C	65.816	0.031	1
757	1	71	SER	N	N	121.045	0.054	1
758	1	72	SER	H	H	8.941	0.026	1
759	1	72	SER	HA	H	5.045	0.009	1
760	1	72	SER	HB2	H	4.640	0.000	2
761	1	72	SER	HB3	H	3.829	0.000	2
762	1	72	SER	C	C	174.514	0.008	1
763	1	72	SER	CA	C	56.936	0.043	1
764	1	72	SER	CB	C	69.012	0.040	1
765	1	72	SER	N	N	118.947	0.119	1
766	1	73	TRP	H	H	8.614	0.026	1
767	1	73	TRP	HA	H	4.384	0.000	1
768	1	73	TRP	HB2	H	3.577	0.006	2
769	1	73	TRP	HB3	H	3.203	0.000	2
770	1	73	TRP	HD1	H	7.340	0.012	1
771	1	73	TRP	HE1	H	9.963	0.034	1
772	1	73	TRP	C	C	176.279	0.007	1
773	1	73	TRP	CA	C	58.273	0.051	1
774	1	73	TRP	CB	C	27.143	0.055	1
775	1	73	TRP	CD1	C	126.075	0.000	1
776	1	73	TRP	N	N	118.887	0.048	1
777	1	73	TRP	NE1	N	132.458	0.042	1
778	1	74	ARG	H	H	7.022	0.022	1
779	1	74	ARG	HA	H	3.541	0.009	1
780	1	74	ARG	HB2	H	0.955	0.009	2
781	1	74	ARG	HB3	H	0.660	0.000	2
782	1	74	ARG	HG2	H	0.030	0.000	2
783	1	74	ARG	HG3	H	-0.551	0.000	2
784	1	74	ARG	HD2	H	2.672	0.000	2
785	1	74	ARG	HD3	H	2.468	0.000	2
786	1	74	ARG	HE	H	6.447	0.001	1
787	1	74	ARG	HH21	H	6.792	0.000	1
788	1	74	ARG	C	C	176.469	0.008	1
789	1	74	ARG	CA	C	56.981	0.024	1
790	1	74	ARG	CB	C	30.083	0.017	1
791	1	74	ARG	CG	C	25.912	0.027	1
792	1	74	ARG	CD	C	42.400	0.044	1
793	1	74	ARG	N	N	117.809	0.055	1
794	1	74	ARG	NE	N	84.483	0.048	1
795	1	75	GLN	H	H	6.896	0.032	1
796	1	75	GLN	HA	H	4.268	0.000	1
797	1	75	GLN	HB2	H	2.064	0.000	2
798	1	75	GLN	HB3	H	1.717	0.000	2
799	1	75	GLN	HE21	H	6.508	0.027	1
800	1	75	GLN	HE22	H	7.399	0.031	1
801	1	75	GLN	C	C	173.215	0.000	1
802	1	75	GLN	CA	C	55.817	0.013	1
803	1	75	GLN	CB	C	32.285	0.000	1
804	1	75	GLN	N	N	118.394	0.032	1
805	1	75	GLN	NE2	N	110.851	0.163	1
806	1	76	GLU	H	H	8.638	0.000	1
807	1	76	GLU	C	C	176.531	0.000	1
808	1	76	GLU	CA	C	59.404	0.000	1
809	1	76	GLU	CB	C	29.868	0.000	1
810	1	77	LYS	H	H	7.989	0.027	1
811	1	77	LYS	HA	H	4.683	0.018	1
812	1	77	LYS	HB2	H	1.664	0.000	1
813	1	77	LYS	HG2	H	1.351	0.000	2
814	1	77	LYS	HG3	H	1.217	0.000	2
815	1	77	LYS	HE2	H	2.957	0.000	1
816	1	77	LYS	C	C	174.455	0.003	1
817	1	77	LYS	CA	C	55.307	0.023	1
818	1	77	LYS	CB	C	33.995	0.075	1
819	1	77	LYS	CG	C	24.651	0.006	1
820	1	77	LYS	CD	C	29.153	0.000	1
821	1	77	LYS	N	N	117.869	0.068	1
822	1	78	ILE	H	H	7.835	0.026	1
823	1	78	ILE	HA	H	3.861	0.007	1
824	1	78	ILE	HB	H	1.252	0.006	1
825	1	78	ILE	HG12	H	1.117	0.016	1
826	1	78	ILE	HG21	H	0.546	0.011	1
827	1	78	ILE	HG22	H	0.546	0.011	1
828	1	78	ILE	HG23	H	0.546	0.011	1
829	1	78	ILE	HD11	H	0.673	0.008	1
830	1	78	ILE	HD12	H	0.673	0.008	1
831	1	78	ILE	HD13	H	0.673	0.008	1
832	1	78	ILE	C	C	175.554	0.000	1
833	1	78	ILE	CA	C	60.966	0.067	1
834	1	78	ILE	CB	C	37.451	0.025	1
835	1	78	ILE	CG2	C	16.506	0.024	1
836	1	78	ILE	CD1	C	12.764	0.031	1
837	1	78	ILE	N	N	126.255	0.074	1
838	1	79	THR	H	H	8.166	0.026	1
839	1	79	THR	HA	H	4.362	0.000	1
840	1	79	THR	HB	H	4.423	0.011	1
841	1	79	THR	HG21	H	1.071	0.000	1
842	1	79	THR	HG22	H	1.071	0.000	1
843	1	79	THR	HG23	H	1.071	0.000	1
844	1	79	THR	C	C	175.228	0.008	1
845	1	79	THR	CA	C	60.846	0.063	1
846	1	79	THR	CB	C	69.930	0.017	1
847	1	79	THR	CG2	C	21.272	0.028	1
848	1	79	THR	N	N	116.450	0.076	1
849	1	80	ARG	H	H	7.541	0.026	1
850	1	80	ARG	HA	H	4.607	0.005	1
851	1	80	ARG	HB2	H	1.988	0.017	1
852	1	80	ARG	HG2	H	1.450	0.000	2
853	1	80	ARG	HG3	H	1.633	0.000	2
854	1	80	ARG	HE	H	7.510	0.001	1
855	1	80	ARG	C	C	174.538	0.009	1
856	1	80	ARG	CA	C	55.761	0.035	1
857	1	80	ARG	CB	C	30.886	0.033	1
858	1	80	ARG	CG	C	27.975	0.012	1
859	1	80	ARG	CD	C	43.533	0.000	1
860	1	80	ARG	N	N	123.953	0.082	1
861	1	80	ARG	NE	N	81.113	0.074	1
862	1	81	THR	H	H	9.000	0.027	1
863	1	81	THR	HA	H	4.601	0.007	1
864	1	81	THR	HB	H	4.851	0.034	1
865	1	81	THR	HG21	H	1.423	0.000	1
866	1	81	THR	HG22	H	1.423	0.000	1
867	1	81	THR	HG23	H	1.423	0.000	1
868	1	81	THR	C	C	176.367	0.009	1
869	1	81	THR	CA	C	61.026	0.062	1
870	1	81	THR	CB	C	71.687	0.020	1
871	1	81	THR	CG2	C	22.042	0.031	1
872	1	81	THR	N	N	113.720	0.074	1
873	1	82	LYS	H	H	8.871	0.028	1
874	1	82	LYS	HA	H	3.423	0.012	1
875	1	82	LYS	HB2	H	1.375	0.000	2
876	1	82	LYS	HB3	H	1.107	0.000	2
877	1	82	LYS	HG2	H	0.742	0.000	2
878	1	82	LYS	HG3	H	1.052	0.000	2
879	1	82	LYS	HD2	H	1.484	0.000	1
880	1	82	LYS	HE2	H	2.811	0.000	1
881	1	82	LYS	C	C	177.710	0.003	1
882	1	82	LYS	CA	C	60.459	0.051	1
883	1	82	LYS	CB	C	32.038	0.022	1
884	1	82	LYS	CG	C	24.578	0.071	1
885	1	82	LYS	CD	C	29.768	0.000	1
886	1	82	LYS	CE	C	41.810	0.044	1
887	1	82	LYS	N	N	122.598	0.054	1
888	1	83	GLU	H	H	8.520	0.025	1
889	1	83	GLU	HA	H	3.898	0.006	1
890	1	83	GLU	HB2	H	1.902	0.009	2
891	1	83	GLU	HB3	H	2.054	0.018	2
892	1	83	GLU	HG2	H	2.457	0.000	2
893	1	83	GLU	HG3	H	2.212	0.003	2
894	1	83	GLU	C	C	179.763	0.001	1
895	1	83	GLU	CA	C	60.850	0.060	1
896	1	83	GLU	CB	C	28.659	0.045	1
897	1	83	GLU	CG	C	37.394	0.000	1
898	1	83	GLU	N	N	118.267	0.106	1
899	1	84	GLU	H	H	7.923	0.022	1
900	1	84	GLU	HA	H	3.961	0.003	1
901	1	84	GLU	HB2	H	1.898	0.015	1
902	1	84	GLU	C	C	179.865	0.009	1
903	1	84	GLU	CA	C	59.053	0.031	1
904	1	84	GLU	CB	C	30.104	0.052	1
905	1	84	GLU	CG	C	37.599	0.000	1
906	1	84	GLU	N	N	121.750	0.053	1
907	1	85	ALA	H	H	8.639	0.025	1
908	1	85	ALA	HA	H	3.982	0.009	1
909	1	85	ALA	HB1	H	1.424	0.012	1
910	1	85	ALA	HB2	H	1.424	0.012	1
911	1	85	ALA	HB3	H	1.424	0.012	1
912	1	85	ALA	C	C	177.922	0.006	1
913	1	85	ALA	CA	C	55.056	0.023	1
914	1	85	ALA	CB	C	18.847	0.085	1
915	1	85	ALA	N	N	122.063	0.057	1
916	1	86	LEU	H	H	8.160	0.027	1
917	1	86	LEU	HA	H	3.884	0.012	1
918	1	86	LEU	HB2	H	2.010	0.000	2
919	1	86	LEU	HB3	H	1.684	0.000	2
920	1	86	LEU	HG	H	1.452	0.000	1
921	1	86	LEU	HD11	H	1.081	0.004	2
922	1	86	LEU	HD12	H	1.081	0.004	2
923	1	86	LEU	HD13	H	1.081	0.004	2
924	1	86	LEU	HD21	H	1.014	0.011	2
925	1	86	LEU	HD22	H	1.014	0.011	2
926	1	86	LEU	HD23	H	1.014	0.011	2
927	1	86	LEU	C	C	177.753	0.018	1
928	1	86	LEU	CA	C	57.494	0.036	1
929	1	86	LEU	CB	C	41.450	0.020	1
930	1	86	LEU	CG	C	26.977	0.000	1
931	1	86	LEU	CD1	C	25.743	0.011	2
932	1	86	LEU	CD2	C	22.949	0.000	2
933	1	86	LEU	N	N	120.160	0.065	1
934	1	87	GLU	H	H	7.671	0.026	1
935	1	87	GLU	HA	H	4.027	0.010	1
936	1	87	GLU	HB2	H	2.297	0.000	2
937	1	87	GLU	HB3	H	2.057	0.000	2
938	1	87	GLU	C	C	180.290	0.002	1
939	1	87	GLU	CA	C	59.496	0.059	1
940	1	87	GLU	CB	C	29.262	0.060	1
941	1	87	GLU	CG	C	36.073	0.000	1
942	1	87	GLU	N	N	119.312	0.105	1
943	1	88	LEU	H	H	7.753	0.025	1
944	1	88	LEU	HA	H	3.610	0.012	1
945	1	88	LEU	HB2	H	0.984	0.010	2
946	1	88	LEU	HB3	H	1.936	0.000	2
947	1	88	LEU	HG	H	1.534	0.010	1
948	1	88	LEU	HD11	H	0.817	0.000	2
949	1	88	LEU	HD12	H	0.817	0.000	2
950	1	88	LEU	HD13	H	0.817	0.000	2
951	1	88	LEU	HD21	H	0.651	0.002	2
952	1	88	LEU	HD22	H	0.651	0.002	2
953	1	88	LEU	HD23	H	0.651	0.002	2
954	1	88	LEU	C	C	178.541	0.017	1
955	1	88	LEU	CA	C	57.687	0.058	1
956	1	88	LEU	CB	C	41.556	0.029	1
957	1	88	LEU	CD1	C	25.328	0.003	2
958	1	88	LEU	CD2	C	22.642	0.000	2
959	1	88	LEU	N	N	121.289	0.067	1
960	1	89	ILE	H	H	8.016	0.029	1
961	1	89	ILE	HA	H	3.632	0.018	1
962	1	89	ILE	HB	H	2.288	0.005	1
963	1	89	ILE	HG12	H	1.520	0.000	2
964	1	89	ILE	HG13	H	1.198	0.002	2
965	1	89	ILE	HG21	H	0.788	0.002	1
966	1	89	ILE	HG22	H	0.788	0.002	1
967	1	89	ILE	HG23	H	0.788	0.002	1
968	1	89	ILE	HD11	H	0.715	0.001	1
969	1	89	ILE	HD12	H	0.715	0.001	1
970	1	89	ILE	HD13	H	0.715	0.001	1
971	1	89	ILE	C	C	177.406	0.002	1
972	1	89	ILE	CA	C	62.567	0.077	1
973	1	89	ILE	CB	C	35.394	0.036	1
974	1	89	ILE	CG1	C	27.103	0.111	1
975	1	89	ILE	CG2	C	16.429	0.009	1
976	1	89	ILE	CD1	C	10.500	0.000	1
977	1	89	ILE	N	N	120.230	0.056	1
978	1	90	ASN	H	H	8.689	0.024	1
979	1	90	ASN	HA	H	4.514	0.011	1
980	1	90	ASN	HB2	H	2.760	0.000	2
981	1	90	ASN	HB3	H	2.650	0.000	2
982	1	90	ASN	HD21	H	7.248	0.029	1
983	1	90	ASN	HD22	H	6.565	0.003	1
984	1	90	ASN	C	C	179.073	0.005	1
985	1	90	ASN	CA	C	56.016	0.049	1
986	1	90	ASN	CB	C	37.649	0.057	1
987	1	90	ASN	N	N	118.894	0.058	1
988	1	90	ASN	ND2	N	109.638	0.173	1
989	1	91	GLY	H	H	7.941	0.027	1
990	1	91	GLY	HA2	H	3.854	0.010	1
991	1	91	GLY	C	C	176.735	0.005	1
992	1	91	GLY	CA	C	47.051	0.039	1
993	1	91	GLY	N	N	110.131	0.058	1
994	1	92	TYR	H	H	8.109	0.024	1
995	1	92	TYR	HA	H	4.428	0.000	1
996	1	92	TYR	HB2	H	3.157	0.028	2
997	1	92	TYR	HB3	H	2.848	0.016	2
998	1	92	TYR	HD1	H	6.604	0.000	1
999	1	92	TYR	HD2	H	6.604	0.000	1
1000	1	92	TYR	HE1	H	6.132	0.000	1
1001	1	92	TYR	HE2	H	6.132	0.000	1
1002	1	92	TYR	C	C	178.109	0.004	1
1003	1	92	TYR	CA	C	58.609	0.073	1
1004	1	92	TYR	CB	C	35.941	0.044	1
1005	1	92	TYR	CD1	C	131.254	0.000	1
1006	1	92	TYR	CD2	C	131.254	0.000	1
1007	1	92	TYR	CE1	C	117.196	0.000	1
1008	1	92	TYR	CE2	C	117.196	0.000	1
1009	1	92	TYR	N	N	123.155	0.065	1
1010	1	93	ILE	H	H	8.603	0.024	1
1011	1	93	ILE	HA	H	3.526	0.009	1
1012	1	93	ILE	HB	H	2.068	0.010	1
1013	1	93	ILE	HG21	H	0.981	0.011	1
1014	1	93	ILE	HG22	H	0.981	0.011	1
1015	1	93	ILE	HG23	H	0.981	0.011	1
1016	1	93	ILE	HD11	H	1.000	0.000	1
1017	1	93	ILE	HD12	H	1.000	0.000	1
1018	1	93	ILE	HD13	H	1.000	0.000	1
1019	1	93	ILE	C	C	177.794	0.007	1
1020	1	93	ILE	CA	C	67.111	0.050	1
1021	1	93	ILE	CB	C	38.267	0.032	1
1022	1	93	ILE	CG1	C	30.705	0.000	1
1023	1	93	ILE	CG2	C	17.237	0.061	1
1024	1	93	ILE	CD1	C	14.096	0.000	1
1025	1	93	ILE	N	N	118.884	0.071	1
1026	1	94	GLN	H	H	7.761	0.026	1
1027	1	94	GLN	HA	H	4.038	0.008	1
1028	1	94	GLN	HB2	H	2.256	0.000	1
1029	1	94	GLN	HG2	H	2.511	0.000	1
1030	1	94	GLN	HE21	H	6.871	0.027	1
1031	1	94	GLN	HE22	H	7.446	0.026	1
1032	1	94	GLN	C	C	179.254	0.006	1
1033	1	94	GLN	CA	C	59.144	0.063	1
1034	1	94	GLN	CB	C	28.014	0.035	1
1035	1	94	GLN	CG	C	33.567	0.041	1
1036	1	94	GLN	N	N	117.499	0.072	1
1037	1	94	GLN	NE2	N	111.841	0.182	1
1038	1	95	LYS	H	H	8.062	0.026	1
1039	1	95	LYS	HA	H	4.096	0.009	1
1040	1	95	LYS	HB2	H	2.145	0.000	1
1041	1	95	LYS	HD2	H	1.742	0.000	1
1042	1	95	LYS	C	C	178.313	0.004	1
1043	1	95	LYS	CA	C	59.678	0.041	1
1044	1	95	LYS	CB	C	33.579	0.007	1
1045	1	95	LYS	CG	C	25.822	0.000	1
1046	1	95	LYS	N	N	120.253	0.076	1
1047	1	96	ILE	H	H	8.151	0.025	1
1048	1	96	ILE	HA	H	4.302	0.013	1
1049	1	96	ILE	HB	H	1.830	0.011	1
1050	1	96	ILE	HG21	H	1.140	0.001	1
1051	1	96	ILE	HG22	H	1.140	0.001	1
1052	1	96	ILE	HG23	H	1.140	0.001	1
1053	1	96	ILE	HD11	H	0.813	0.011	1
1054	1	96	ILE	HD12	H	0.813	0.011	1
1055	1	96	ILE	HD13	H	0.813	0.011	1
1056	1	96	ILE	C	C	181.240	0.012	1
1057	1	96	ILE	CA	C	63.903	0.074	1
1058	1	96	ILE	CB	C	39.012	0.065	1
1059	1	96	ILE	CG1	C	29.640	0.072	1
1060	1	96	ILE	CG2	C	18.145	0.024	1
1061	1	96	ILE	CD1	C	14.858	0.038	1
1062	1	96	ILE	N	N	120.042	0.077	1
1063	1	97	LYS	H	H	9.012	0.024	1
1064	1	97	LYS	HA	H	4.103	0.008	1
1065	1	97	LYS	HB2	H	1.977	0.000	2
1066	1	97	LYS	HB3	H	1.897	0.015	2
1067	1	97	LYS	HG2	H	1.508	0.007	1
1068	1	97	LYS	HD2	H	1.713	0.000	1
1069	1	97	LYS	C	C	178.931	0.001	1
1070	1	97	LYS	CA	C	59.869	0.028	1
1071	1	97	LYS	CB	C	32.508	0.016	1
1072	1	97	LYS	CG	C	26.162	0.070	1
1073	1	97	LYS	CD	C	29.412	0.000	1
1074	1	97	LYS	N	N	120.977	0.074	1
1075	1	98	SER	H	H	8.131	0.025	1
1076	1	98	SER	HA	H	4.435	0.015	1
1077	1	98	SER	HB2	H	4.146	0.000	2
1078	1	98	SER	HB3	H	4.052	0.000	2
1079	1	98	SER	C	C	175.604	0.002	1
1080	1	98	SER	CA	C	59.402	0.091	1
1081	1	98	SER	CB	C	64.125	0.040	1
1082	1	98	SER	N	N	111.532	0.058	1
1083	1	99	GLY	H	H	7.802	0.023	1
1084	1	99	GLY	HA2	H	4.254	0.007	2
1085	1	99	GLY	HA3	H	3.912	0.008	2
1086	1	99	GLY	C	C	174.398	0.002	1
1087	1	99	GLY	CA	C	45.392	0.056	1
1088	1	99	GLY	N	N	110.340	0.059	1
1089	1	100	GLU	H	H	8.243	0.029	1
1090	1	100	GLU	HA	H	4.040	0.008	1
1091	1	100	GLU	HB2	H	2.062	0.001	1
1092	1	100	GLU	HG2	H	2.367	0.006	1
1093	1	100	GLU	C	C	176.687	0.005	1
1094	1	100	GLU	CA	C	59.011	0.042	1
1095	1	100	GLU	CB	C	31.008	0.033	1
1096	1	100	GLU	CG	C	36.861	0.035	1
1097	1	100	GLU	N	N	121.806	0.056	1
1098	1	101	GLU	H	H	7.364	0.024	1
1099	1	101	GLU	HA	H	4.633	0.011	1
1100	1	101	GLU	HB2	H	1.984	0.014	2
1101	1	101	GLU	HB3	H	1.355	0.015	2
1102	1	101	GLU	HG2	H	2.230	0.020	1
1103	1	101	GLU	C	C	174.157	0.003	1
1104	1	101	GLU	CA	C	54.282	0.068	1
1105	1	101	GLU	CB	C	34.272	0.024	1
1106	1	101	GLU	CG	C	36.000	0.040	1
1107	1	101	GLU	N	N	114.320	0.055	1
1108	1	102	ASP	H	H	8.324	0.024	1
1109	1	102	ASP	HA	H	4.900	0.010	1
1110	1	102	ASP	HB2	H	2.948	0.021	2
1111	1	102	ASP	HB3	H	2.711	0.014	2
1112	1	102	ASP	C	C	175.539	0.005	1
1113	1	102	ASP	CA	C	52.417	0.034	1
1114	1	102	ASP	CB	C	43.052	0.054	1
1115	1	102	ASP	N	N	118.561	0.066	1
1116	1	103	PHE	H	H	9.064	0.026	1
1117	1	103	PHE	HA	H	3.627	0.004	1
1118	1	103	PHE	HB2	H	3.076	0.042	2
1119	1	103	PHE	HB3	H	3.099	0.051	2
1120	1	103	PHE	HD1	H	7.019	0.000	1
1121	1	103	PHE	HD2	H	7.019	0.000	1
1122	1	103	PHE	HE1	H	6.867	0.000	1
1123	1	103	PHE	HE2	H	6.867	0.000	1
1124	1	103	PHE	C	C	176.599	0.003	1
1125	1	103	PHE	CA	C	62.760	0.095	1
1126	1	103	PHE	CB	C	40.385	0.104	1
1127	1	103	PHE	CD1	C	132.014	0.000	1
1128	1	103	PHE	CD2	C	132.014	0.000	1
1129	1	103	PHE	CE1	C	131.592	0.000	1
1130	1	103	PHE	CE2	C	131.592	0.000	1
1131	1	103	PHE	N	N	122.329	0.066	1
1132	1	104	GLU	H	H	8.964	0.024	1
1133	1	104	GLU	HA	H	3.858	0.014	1
1134	1	104	GLU	HB2	H	2.236	0.011	2
1135	1	104	GLU	HB3	H	2.033	0.007	2
1136	1	104	GLU	HG2	H	2.634	0.016	2
1137	1	104	GLU	HG3	H	2.637	0.000	2
1138	1	104	GLU	C	C	179.180	0.003	1
1139	1	104	GLU	CA	C	60.593	0.017	1
1140	1	104	GLU	CB	C	29.678	0.053	1
1141	1	104	GLU	CG	C	37.731	0.040	1
1142	1	104	GLU	N	N	116.545	0.060	1
1143	1	105	SER	H	H	8.034	0.027	1
1144	1	105	SER	HA	H	4.148	0.008	1
1145	1	105	SER	HB2	H	4.024	0.000	2
1146	1	105	SER	HB3	H	3.952	0.000	2
1147	1	105	SER	C	C	178.068	0.102	1
1148	1	105	SER	CA	C	61.286	0.062	1
1149	1	105	SER	CB	C	62.727	0.092	1
1150	1	105	SER	N	N	115.888	0.077	1
1151	1	106	LEU	H	H	7.655	0.022	1
1152	1	106	LEU	HA	H	3.993	0.012	1
1153	1	106	LEU	HB2	H	0.719	0.016	2
1154	1	106	LEU	HB3	H	1.460	0.020	2
1155	1	106	LEU	HG	H	1.587	0.000	1
1156	1	106	LEU	HD11	H	0.653	0.011	2
1157	1	106	LEU	HD12	H	0.653	0.011	2
1158	1	106	LEU	HD13	H	0.653	0.011	2
1159	1	106	LEU	HD21	H	0.741	0.000	2
1160	1	106	LEU	HD22	H	0.741	0.000	2
1161	1	106	LEU	HD23	H	0.741	0.000	2
1162	1	106	LEU	C	C	178.827	0.058	1
1163	1	106	LEU	CA	C	57.477	0.057	1
1164	1	106	LEU	CB	C	41.604	0.044	1
1165	1	106	LEU	CD1	C	23.000	0.000	1
1166	1	106	LEU	CD2	C	26.659	0.041	1
1167	1	106	LEU	N	N	120.825	0.068	1
1168	1	107	ALA	H	H	8.775	0.021	1
1169	1	107	ALA	HA	H	3.636	0.005	1
1170	1	107	ALA	HB1	H	1.018	0.012	1
1171	1	107	ALA	HB2	H	1.018	0.012	1
1172	1	107	ALA	HB3	H	1.018	0.012	1
1173	1	107	ALA	C	C	178.928	0.002	1
1174	1	107	ALA	CA	C	55.567	0.021	1
1175	1	107	ALA	CB	C	16.795	0.031	1
1176	1	107	ALA	N	N	122.590	0.062	1
1177	1	108	SER	H	H	7.689	0.026	1
1178	1	108	SER	HA	H	4.505	0.004	1
1179	1	108	SER	HB2	H	3.938	0.031	2
1180	1	108	SER	HB3	H	3.869	0.011	2
1181	1	108	SER	C	C	174.951	0.008	1
1182	1	108	SER	CA	C	60.954	0.071	1
1183	1	108	SER	CB	C	63.721	0.036	1
1184	1	108	SER	N	N	108.561	0.054	1
1185	1	109	GLN	H	H	6.879	0.022	1
1186	1	109	GLN	HA	H	4.152	0.004	1
1187	1	109	GLN	HB2	H	0.768	0.018	2
1188	1	109	GLN	HB3	H	1.076	0.011	2
1189	1	109	GLN	HG2	H	1.658	0.001	2
1190	1	109	GLN	HG3	H	2.137	0.001	2
1191	1	109	GLN	HE21	H	6.946	0.028	1
1192	1	109	GLN	HE22	H	6.702	0.030	1
1193	1	109	GLN	C	C	177.683	0.006	1
1194	1	109	GLN	CA	C	57.636	0.017	1
1195	1	109	GLN	CB	C	31.238	0.054	1
1196	1	109	GLN	CG	C	34.747	0.025	1
1197	1	109	GLN	N	N	115.200	0.093	1
1198	1	109	GLN	NE2	N	110.949	0.210	1
1199	1	110	PHE	H	H	8.115	0.025	1
1200	1	110	PHE	HA	H	4.745	0.015	1
1201	1	110	PHE	HB2	H	3.381	0.000	2
1202	1	110	PHE	HB3	H	2.166	0.000	2
1203	1	110	PHE	HD1	H	6.937	0.000	1
1204	1	110	PHE	HD2	H	6.937	0.000	1
1205	1	110	PHE	HE1	H	7.140	0.000	1
1206	1	110	PHE	HE2	H	7.140	0.000	1
1207	1	110	PHE	C	C	175.044	0.005	1
1208	1	110	PHE	CA	C	57.524	0.051	1
1209	1	110	PHE	CB	C	41.292	0.029	1
1210	1	110	PHE	CD1	C	131.994	0.000	1
1211	1	110	PHE	CD2	C	131.994	0.000	1
1212	1	110	PHE	N	N	112.662	0.042	1
1213	1	111	SER	H	H	7.840	0.027	1
1214	1	111	SER	HA	H	4.718	0.002	1
1215	1	111	SER	HB2	H	3.885	0.000	1
1216	1	111	SER	C	C	175.919	0.010	1
1217	1	111	SER	CA	C	57.293	0.069	1
1218	1	111	SER	CB	C	65.892	0.026	1
1219	1	111	SER	N	N	111.428	0.055	1
1220	1	112	ASP	H	H	9.920	0.026	1
1221	1	112	ASP	HA	H	4.581	0.006	1
1222	1	112	ASP	HB2	H	2.759	0.016	1
1223	1	112	ASP	C	C	174.861	0.013	1
1224	1	112	ASP	CA	C	56.149	0.048	1
1225	1	112	ASP	CB	C	43.587	0.043	1
1226	1	112	ASP	N	N	125.023	0.067	1
1227	1	113	CYS	H	H	8.126	0.022	1
1228	1	113	CYS	HA	H	4.612	0.010	1
1229	1	113	CYS	HB2	H	2.857	0.006	2
1230	1	113	CYS	HB3	H	2.518	0.000	2
1231	1	113	CYS	C	C	176.850	0.002	1
1232	1	113	CYS	CA	C	60.075	0.022	1
1233	1	113	CYS	CB	C	29.849	0.062	1
1234	1	113	CYS	N	N	123.487	0.059	1
1235	1	114	SER	H	H	8.788	0.027	1
1236	1	114	SER	HA	H	4.122	0.000	1
1237	1	114	SER	HB2	H	4.094	0.004	1
1238	1	114	SER	C	C	176.451	0.019	1
1239	1	114	SER	CA	C	62.604	0.000	1
1240	1	114	SER	CB	C	62.616	0.048	1
1241	1	114	SER	N	N	127.504	0.069	1
1242	1	115	SER	H	H	10.137	0.027	1
1243	1	115	SER	HB2	H	3.864	0.000	2
1244	1	115	SER	HB3	H	3.718	0.000	2
1245	1	115	SER	C	C	177.170	0.000	1
1246	1	115	SER	CA	C	61.566	0.031	1
1247	1	115	SER	CB	C	62.656	0.072	1
1248	1	115	SER	N	N	124.114	0.045	1
1249	1	116	ALA	H	H	8.566	0.025	1
1250	1	116	ALA	HA	H	3.809	0.000	1
1251	1	116	ALA	HB1	H	1.763	0.008	1
1252	1	116	ALA	HB2	H	1.763	0.008	1
1253	1	116	ALA	HB3	H	1.763	0.008	1
1254	1	116	ALA	C	C	180.067	0.001	1
1255	1	116	ALA	CA	C	56.638	0.007	1
1256	1	116	ALA	CB	C	20.326	0.027	1
1257	1	116	ALA	N	N	132.155	0.070	1
1258	1	117	LYS	H	H	7.093	0.025	1
1259	1	117	LYS	HA	H	4.000	0.007	1
1260	1	117	LYS	HB2	H	1.740	0.016	1
1261	1	117	LYS	HG2	H	1.182	0.005	2
1262	1	117	LYS	HG3	H	1.284	0.007	2
1263	1	117	LYS	HD2	H	1.451	0.000	1
1264	1	117	LYS	HE2	H	2.490	0.000	2
1265	1	117	LYS	HE3	H	2.658	0.000	2
1266	1	117	LYS	C	C	176.556	0.007	1
1267	1	117	LYS	CA	C	57.844	0.043	1
1268	1	117	LYS	CB	C	31.627	0.030	1
1269	1	117	LYS	CG	C	24.617	0.035	1
1270	1	117	LYS	CD	C	28.701	0.014	1
1271	1	117	LYS	N	N	114.194	0.059	1
1272	1	118	ALA	H	H	7.733	0.024	1
1273	1	118	ALA	HA	H	4.733	0.005	1
1274	1	118	ALA	HB1	H	1.523	0.010	1
1275	1	118	ALA	HB2	H	1.523	0.010	1
1276	1	118	ALA	HB3	H	1.523	0.010	1
1277	1	118	ALA	C	C	177.271	0.001	1
1278	1	118	ALA	CA	C	50.783	0.051	1
1279	1	118	ALA	CB	C	18.552	0.034	1
1280	1	118	ALA	N	N	124.264	0.058	1
1281	1	119	ARG	H	H	8.053	0.031	1
1282	1	119	ARG	HA	H	3.688	0.007	1
1283	1	119	ARG	HB2	H	2.038	0.013	2
1284	1	119	ARG	HB3	H	2.137	0.000	2
1285	1	119	ARG	HG2	H	1.516	0.000	1
1286	1	119	ARG	HD2	H	3.187	0.000	2
1287	1	119	ARG	HD3	H	3.189	0.000	2
1288	1	119	ARG	HE	H	7.308	0.002	1
1289	1	119	ARG	C	C	174.841	0.013	1
1290	1	119	ARG	CA	C	57.777	0.057	1
1291	1	119	ARG	CB	C	26.819	0.090	1
1292	1	119	ARG	CG	C	27.525	0.022	1
1293	1	119	ARG	CD	C	43.620	0.033	1
1294	1	119	ARG	N	N	115.262	0.081	1
1295	1	119	ARG	NE	N	84.231	0.059	1
1296	1	120	GLY	H	H	8.302	0.026	1
1297	1	120	GLY	HA2	H	4.389	0.007	1
1298	1	120	GLY	C	C	173.663	0.007	1
1299	1	120	GLY	CA	C	44.911	0.062	1
1300	1	120	GLY	N	N	103.503	0.076	1
1301	1	121	ASP	H	H	7.123	0.025	1
1302	1	121	ASP	HA	H	4.765	0.007	1
1303	1	121	ASP	HB2	H	2.840	0.000	1
1304	1	121	ASP	C	C	175.198	0.000	1
1305	1	121	ASP	CA	C	55.941	0.020	1
1306	1	121	ASP	CB	C	42.086	0.042	1
1307	1	121	ASP	N	N	118.745	0.057	1
1308	1	122	LEU	H	H	8.750	0.027	1
1309	1	122	LEU	HA	H	4.428	0.014	1
1310	1	122	LEU	HB2	H	1.386	0.009	2
1311	1	122	LEU	HB3	H	2.019	0.010	2
1312	1	122	LEU	HG	H	1.726	0.000	1
1313	1	122	LEU	HD11	H	0.291	0.017	2
1314	1	122	LEU	HD12	H	0.291	0.017	2
1315	1	122	LEU	HD13	H	0.291	0.017	2
1316	1	122	LEU	HD21	H	0.286	0.000	2
1317	1	122	LEU	HD22	H	0.286	0.000	2
1318	1	122	LEU	HD23	H	0.286	0.000	2
1319	1	122	LEU	C	C	178.564	0.000	1
1320	1	122	LEU	CA	C	54.479	0.067	1
1321	1	122	LEU	CB	C	43.802	0.075	1
1322	1	122	LEU	CD1	C	26.504	0.041	2
1323	1	122	LEU	CD2	C	23.012	0.000	2
1324	1	122	LEU	N	N	125.544	0.093	1
1325	1	123	GLY	H	H	8.162	0.025	1
1326	1	123	GLY	HA2	H	4.338	0.003	2
1327	1	123	GLY	HA3	H	3.587	0.008	2
1328	1	123	GLY	C	C	171.132	0.006	1
1329	1	123	GLY	CA	C	44.704	0.029	1
1330	1	123	GLY	N	N	107.711	0.069	1
1331	1	124	ALA	H	H	8.044	0.026	1
1332	1	124	ALA	HA	H	5.360	0.016	1
1333	1	124	ALA	HB1	H	1.148	0.006	1
1334	1	124	ALA	HB2	H	1.148	0.006	1
1335	1	124	ALA	HB3	H	1.148	0.006	1
1336	1	124	ALA	C	C	178.655	0.002	1
1337	1	124	ALA	CA	C	50.291	0.097	1
1338	1	124	ALA	CB	C	20.559	0.028	1
1339	1	124	ALA	N	N	119.199	0.056	1
1340	1	125	PHE	H	H	8.769	0.026	1
1341	1	125	PHE	HA	H	5.104	0.016	1
1342	1	125	PHE	HB2	H	3.109	0.017	1
1343	1	125	PHE	HD1	H	7.175	0.000	1
1344	1	125	PHE	HD2	H	7.175	0.000	1
1345	1	125	PHE	C	C	173.047	0.009	1
1346	1	125	PHE	CA	C	55.946	0.050	1
1347	1	125	PHE	CB	C	41.069	0.068	1
1348	1	125	PHE	CD1	C	133.905	0.000	1
1349	1	125	PHE	CD2	C	133.905	0.000	1
1350	1	125	PHE	N	N	117.345	0.057	1
1351	1	126	SER	H	H	8.583	0.028	1
1352	1	126	SER	HA	H	5.419	0.013	1
1353	1	126	SER	HB2	H	4.064	0.013	2
1354	1	126	SER	HB3	H	3.988	0.016	2
1355	1	126	SER	C	C	175.329	0.004	1
1356	1	126	SER	CA	C	56.785	0.065	1
1357	1	126	SER	CB	C	66.604	0.048	1
1358	1	126	SER	N	N	113.974	0.067	1
1359	1	127	ARG	H	H	8.851	0.025	1
1360	1	127	ARG	HA	H	3.881	0.000	1
1361	1	127	ARG	HB2	H	1.590	0.003	1
1362	1	127	ARG	HG2	H	1.066	0.000	2
1363	1	127	ARG	HG3	H	0.585	0.000	2
1364	1	127	ARG	HD2	H	2.662	0.000	1
1365	1	127	ARG	HE	H	7.458	0.003	1
1366	1	127	ARG	C	C	177.713	0.017	1
1367	1	127	ARG	CA	C	58.620	0.033	1
1368	1	127	ARG	CB	C	29.924	0.120	1
1369	1	127	ARG	CG	C	28.601	0.052	1
1370	1	127	ARG	CD	C	43.424	0.002	1
1371	1	127	ARG	N	N	121.694	0.106	1
1372	1	127	ARG	NE	N	85.400	0.066	1
1373	1	128	GLY	H	H	10.152	0.026	1
1374	1	128	GLY	HA2	H	4.371	0.012	2
1375	1	128	GLY	HA3	H	3.823	0.000	2
1376	1	128	GLY	C	C	174.455	0.006	1
1377	1	128	GLY	CA	C	45.277	0.066	1
1378	1	128	GLY	N	N	112.611	0.079	1
1379	1	129	GLN	H	H	7.780	0.028	1
1380	1	129	GLN	HA	H	4.411	0.008	1
1381	1	129	GLN	HB2	H	2.136	0.010	2
1382	1	129	GLN	HB3	H	2.099	0.000	2
1383	1	129	GLN	HG2	H	2.317	0.000	1
1384	1	129	GLN	HE21	H	7.530	0.025	1
1385	1	129	GLN	HE22	H	7.001	0.028	1
1386	1	129	GLN	C	C	175.984	0.001	1
1387	1	129	GLN	CA	C	58.029	0.020	1
1388	1	129	GLN	CB	C	31.620	0.038	1
1389	1	129	GLN	CG	C	35.273	0.039	1
1390	1	129	GLN	N	N	118.364	0.138	1
1391	1	129	GLN	NE2	N	111.946	0.165	1
1392	1	130	MET	H	H	8.994	0.027	1
1393	1	130	MET	HA	H	4.636	0.000	1
1394	1	130	MET	HB2	H	1.857	0.013	2
1395	1	130	MET	HB3	H	1.248	0.000	2
1396	1	130	MET	HE1	H	0.928	0.000	1
1397	1	130	MET	HE2	H	0.928	0.000	1
1398	1	130	MET	HE3	H	0.928	0.000	1
1399	1	130	MET	C	C	175.561	0.008	1
1400	1	130	MET	CA	C	52.651	0.033	1
1401	1	130	MET	CB	C	33.486	0.073	1
1402	1	130	MET	CE	C	17.932	0.000	1
1403	1	130	MET	N	N	117.882	0.059	1
1404	1	131	GLN	H	H	8.150	0.029	1
1405	1	131	GLN	HA	H	4.242	0.010	1
1406	1	131	GLN	HB2	H	2.055	0.010	2
1407	1	131	GLN	HB3	H	1.960	0.010	2
1408	1	131	GLN	HG2	H	2.600	0.009	2
1409	1	131	GLN	HG3	H	2.503	0.008	2
1410	1	131	GLN	HE21	H	7.140	0.036	1
1411	1	131	GLN	HE22	H	7.592	0.000	1
1412	1	131	GLN	C	C	178.221	0.018	1
1413	1	131	GLN	CA	C	57.039	0.079	1
1414	1	131	GLN	CB	C	29.992	0.089	1
1415	1	131	GLN	CG	C	35.155	0.065	1
1416	1	131	GLN	N	N	117.995	0.054	1
1417	1	131	GLN	NE2	N	112.758	0.207	1
1418	1	132	LYS	H	H	9.012	0.028	1
1419	1	132	LYS	HG2	H	1.502	0.000	1
1420	1	132	LYS	C	C	173.735	0.000	1
1421	1	132	LYS	CA	C	61.260	0.000	1
1422	1	132	LYS	N	N	124.801	0.095	1
1423	1	133	PRO	HA	H	4.508	0.014	1
1424	1	133	PRO	HB2	H	2.567	0.001	2
1425	1	133	PRO	HB3	H	1.873	0.012	2
1426	1	133	PRO	HG2	H	2.265	0.009	1
1427	1	133	PRO	HD2	H	3.919	0.000	2
1428	1	133	PRO	HD3	H	3.758	0.000	2
1429	1	133	PRO	C	C	179.950	0.010	1
1430	1	133	PRO	CA	C	66.098	0.097	1
1431	1	133	PRO	CB	C	31.243	0.002	1
1432	1	133	PRO	CG	C	27.559	0.000	1
1433	1	133	PRO	CD	C	49.686	0.024	1
1434	1	134	PHE	H	H	7.227	0.032	1
1435	1	134	PHE	HA	H	3.683	0.004	1
1436	1	134	PHE	HB2	H	3.322	0.007	1
1437	1	134	PHE	HD1	H	6.100	0.000	1
1438	1	134	PHE	HD2	H	6.100	0.000	1
1439	1	134	PHE	HE1	H	6.554	0.000	1
1440	1	134	PHE	HE2	H	6.554	0.000	1
1441	1	134	PHE	C	C	178.301	0.012	1
1442	1	134	PHE	CA	C	61.075	0.018	1
1443	1	134	PHE	CB	C	40.572	0.052	1
1444	1	134	PHE	CD1	C	130.247	0.000	1
1445	1	134	PHE	CD2	C	130.247	0.000	1
1446	1	134	PHE	CE1	C	129.214	0.000	1
1447	1	134	PHE	CE2	C	129.214	0.000	1
1448	1	134	PHE	N	N	117.013	0.069	1
1449	1	135	GLU	H	H	8.689	0.030	1
1450	1	135	GLU	HA	H	4.052	0.006	1
1451	1	135	GLU	HG2	H	2.267	0.000	1
1452	1	135	GLU	C	C	177.572	0.007	1
1453	1	135	GLU	CA	C	60.585	0.069	1
1454	1	135	GLU	CB	C	30.866	0.008	1
1455	1	135	GLU	CG	C	37.643	0.003	1
1456	1	135	GLU	N	N	122.576	0.086	1
1457	1	136	ASP	H	H	9.322	0.026	1
1458	1	136	ASP	HA	H	4.437	0.000	1
1459	1	136	ASP	HB2	H	2.645	0.000	2
1460	1	136	ASP	HB3	H	2.625	0.000	2
1461	1	136	ASP	C	C	179.334	0.007	1
1462	1	136	ASP	CA	C	57.328	0.073	1
1463	1	136	ASP	CB	C	39.575	0.049	1
1464	1	136	ASP	N	N	118.697	0.081	1
1465	1	137	ALA	H	H	7.093	0.024	1
1466	1	137	ALA	HA	H	4.116	0.012	1
1467	1	137	ALA	HB1	H	1.334	0.011	1
1468	1	137	ALA	HB2	H	1.334	0.011	1
1469	1	137	ALA	HB3	H	1.334	0.011	1
1470	1	137	ALA	C	C	179.332	0.007	1
1471	1	137	ALA	CA	C	54.555	0.036	1
1472	1	137	ALA	CB	C	20.052	0.022	1
1473	1	137	ALA	N	N	118.907	0.055	1
1474	1	138	SER	H	H	7.815	0.028	1
1475	1	138	SER	HA	H	3.861	0.015	1
1476	1	138	SER	HB2	H	3.572	0.000	1
1477	1	138	SER	C	C	174.849	0.013	1
1478	1	138	SER	CA	C	63.473	0.024	1
1479	1	138	SER	N	N	113.541	0.067	1
1480	1	139	PHE	H	H	8.245	0.028	1
1481	1	139	PHE	HA	H	3.888	0.000	1
1482	1	139	PHE	HB2	H	3.007	0.023	2
1483	1	139	PHE	HB3	H	2.937	0.000	2
1484	1	139	PHE	HD1	H	7.432	0.000	1
1485	1	139	PHE	HD2	H	7.432	0.000	1
1486	1	139	PHE	HE1	H	7.147	0.000	1
1487	1	139	PHE	HE2	H	7.147	0.000	1
1488	1	139	PHE	HZ	H	7.112	0.000	1
1489	1	139	PHE	C	C	176.013	0.012	1
1490	1	139	PHE	CA	C	61.206	0.104	1
1491	1	139	PHE	CB	C	38.869	0.061	1
1492	1	139	PHE	CD1	C	131.575	0.000	1
1493	1	139	PHE	CD2	C	131.575	0.000	1
1494	1	139	PHE	N	N	114.989	0.118	1
1495	1	140	ALA	H	H	6.988	0.024	1
1496	1	140	ALA	HA	H	4.406	0.008	1
1497	1	140	ALA	HB1	H	1.475	0.009	1
1498	1	140	ALA	HB2	H	1.475	0.009	1
1499	1	140	ALA	HB3	H	1.475	0.009	1
1500	1	140	ALA	C	C	177.965	0.016	1
1501	1	140	ALA	CA	C	52.240	0.020	1
1502	1	140	ALA	CB	C	19.567	0.067	1
1503	1	140	ALA	N	N	119.213	0.061	1
1504	1	141	LEU	H	H	6.899	0.017	1
1505	1	141	LEU	HA	H	4.248	0.008	1
1506	1	141	LEU	HB2	H	1.493	0.015	2
1507	1	141	LEU	HB3	H	1.736	0.011	2
1508	1	141	LEU	HG	H	2.075	0.000	1
1509	1	141	LEU	HD11	H	0.548	0.010	2
1510	1	141	LEU	HD12	H	0.548	0.010	2
1511	1	141	LEU	HD13	H	0.548	0.010	2
1512	1	141	LEU	HD21	H	0.824	0.000	2
1513	1	141	LEU	HD22	H	0.824	0.000	2
1514	1	141	LEU	HD23	H	0.824	0.000	2
1515	1	141	LEU	C	C	177.779	0.000	1
1516	1	141	LEU	CA	C	54.670	0.013	1
1517	1	141	LEU	CB	C	43.028	0.056	1
1518	1	141	LEU	CD1	C	22.152	0.029	2
1519	1	141	LEU	CD2	C	26.247	0.001	2
1520	1	141	LEU	N	N	119.907	0.079	1
1521	1	142	ARG	H	H	8.859	0.020	1
1522	1	142	ARG	HA	H	4.376	0.009	1
1523	1	142	ARG	HB2	H	1.753	0.000	2
1524	1	142	ARG	HB3	H	1.872	0.000	2
1525	1	142	ARG	HG2	H	1.600	0.000	2
1526	1	142	ARG	HG3	H	1.627	0.000	2
1527	1	142	ARG	HD2	H	3.204	0.020	1
1528	1	142	ARG	HE	H	7.204	0.003	1
1529	1	142	ARG	C	C	176.943	0.008	1
1530	1	142	ARG	CA	C	55.134	0.075	1
1531	1	142	ARG	CB	C	30.894	0.064	1
1532	1	142	ARG	CG	C	27.940	0.010	1
1533	1	142	ARG	CD	C	43.301	0.052	1
1534	1	142	ARG	N	N	122.127	0.050	1
1535	1	142	ARG	NE	N	85.031	0.084	1
1536	1	143	THR	H	H	8.477	0.023	1
1537	1	143	THR	HA	H	3.229	0.002	1
1538	1	143	THR	HB	H	3.876	0.005	1
1539	1	143	THR	HG21	H	1.012	0.000	1
1540	1	143	THR	HG22	H	1.012	0.000	1
1541	1	143	THR	HG23	H	1.012	0.000	1
1542	1	143	THR	C	C	175.710	0.000	1
1543	1	143	THR	CA	C	66.402	0.063	1
1544	1	143	THR	CB	C	67.525	0.058	1
1545	1	143	THR	CG2	C	22.819	0.042	1
1546	1	143	THR	N	N	117.049	0.056	1
1547	1	144	GLY	H	H	8.912	0.022	1
1548	1	144	GLY	HA2	H	4.238	0.008	2
1549	1	144	GLY	HA3	H	3.685	0.000	2
1550	1	144	GLY	C	C	173.155	0.004	1
1551	1	144	GLY	CA	C	45.142	0.012	1
1552	1	144	GLY	N	N	115.757	0.046	1
1553	1	145	GLU	H	H	8.147	0.030	1
1554	1	145	GLU	HA	H	4.347	0.008	1
1555	1	145	GLU	HB2	H	2.194	0.003	2
1556	1	145	GLU	HB3	H	2.248	0.000	2
1557	1	145	GLU	C	C	172.959	0.009	1
1558	1	145	GLU	CA	C	55.681	0.039	1
1559	1	145	GLU	CB	C	32.283	0.029	1
1560	1	145	GLU	CG	C	36.879	0.000	1
1561	1	145	GLU	N	N	122.154	0.067	1
1562	1	146	MET	H	H	8.207	0.028	1
1563	1	146	MET	HA	H	5.638	0.005	1
1564	1	146	MET	HB2	H	1.820	0.000	1
1565	1	146	MET	HG2	H	3.060	0.000	2
1566	1	146	MET	HG3	H	2.356	0.000	2
1567	1	146	MET	HE1	H	2.242	0.000	1
1568	1	146	MET	HE2	H	2.242	0.000	1
1569	1	146	MET	HE3	H	2.242	0.000	1
1570	1	146	MET	C	C	176.301	0.009	1
1571	1	146	MET	CA	C	53.043	0.063	1
1572	1	146	MET	CB	C	37.570	0.043	1
1573	1	146	MET	CG	C	31.476	0.019	1
1574	1	146	MET	CE	C	17.052	0.000	1
1575	1	146	MET	N	N	122.952	0.100	1
1576	1	147	SER	H	H	9.693	0.024	1
1577	1	147	SER	HA	H	4.363	0.008	1
1578	1	147	SER	HB2	H	3.733	0.002	1
1579	1	147	SER	C	C	174.771	0.015	1
1580	1	147	SER	CA	C	59.343	0.032	1
1581	1	147	SER	CB	C	65.217	0.043	1
1582	1	147	SER	N	N	123.578	0.063	1
1583	1	148	GLY	H	H	7.755	0.026	1
1584	1	148	GLY	HA2	H	4.502	0.008	2
1585	1	148	GLY	HA3	H	4.445	0.000	2
1586	1	148	GLY	C	C	171.220	0.000	1
1587	1	148	GLY	CA	C	44.575	0.007	1
1588	1	148	GLY	N	N	103.226	0.059	1
1589	1	149	PRO	HA	H	4.349	0.000	1
1590	1	149	PRO	HB2	H	1.784	0.000	2
1591	1	149	PRO	HB3	H	1.673	0.000	2
1592	1	149	PRO	HG2	H	2.277	0.000	2
1593	1	149	PRO	HG3	H	1.759	0.000	2
1594	1	149	PRO	HD2	H	3.610	0.000	2
1595	1	149	PRO	HD3	H	3.554	0.000	2
1596	1	149	PRO	C	C	176.948	0.006	1
1597	1	149	PRO	CA	C	63.761	0.041	1
1598	1	149	PRO	CB	C	31.459	0.077	1
1599	1	149	PRO	CG	C	28.087	0.064	1
1600	1	149	PRO	CD	C	49.069	0.006	1
1601	1	150	VAL	H	H	9.235	0.024	1
1602	1	150	VAL	HA	H	4.322	0.012	1
1603	1	150	VAL	HB	H	1.740	0.000	1
1604	1	150	VAL	HG11	H	0.702	0.000	2
1605	1	150	VAL	HG12	H	0.702	0.000	2
1606	1	150	VAL	HG13	H	0.702	0.000	2
1607	1	150	VAL	HG21	H	0.933	0.000	2
1608	1	150	VAL	HG22	H	0.933	0.000	2
1609	1	150	VAL	HG23	H	0.933	0.000	2
1610	1	150	VAL	C	C	174.876	0.007	1
1611	1	150	VAL	CA	C	61.611	0.041	1
1612	1	150	VAL	CB	C	35.194	0.013	1
1613	1	150	VAL	CG1	C	20.382	0.000	2
1614	1	150	VAL	CG2	C	20.806	0.056	2
1615	1	150	VAL	N	N	127.567	0.059	1
1616	1	151	PHE	H	H	9.081	0.023	1
1617	1	151	PHE	HA	H	5.100	0.007	1
1618	1	151	PHE	HB2	H	3.116	0.010	2
1619	1	151	PHE	HB3	H	3.086	0.012	2
1620	1	151	PHE	HD1	H	7.413	0.000	1
1621	1	151	PHE	HD2	H	7.413	0.000	1
1622	1	151	PHE	HE1	H	7.212	0.000	1
1623	1	151	PHE	HE2	H	7.212	0.000	1
1624	1	151	PHE	C	C	175.930	0.003	1
1625	1	151	PHE	CA	C	58.003	0.051	1
1626	1	151	PHE	CB	C	39.754	0.048	1
1627	1	151	PHE	CD1	C	132.448	0.000	1
1628	1	151	PHE	CD2	C	132.448	0.000	1
1629	1	151	PHE	CE1	C	130.955	0.000	1
1630	1	151	PHE	CE2	C	130.955	0.000	1
1631	1	151	PHE	N	N	127.782	0.072	1
1632	1	152	THR	H	H	9.032	0.025	1
1633	1	152	THR	HA	H	4.990	0.002	1
1634	1	152	THR	HB	H	4.988	0.028	1
1635	1	152	THR	HG21	H	1.276	0.000	1
1636	1	152	THR	HG22	H	1.276	0.000	1
1637	1	152	THR	HG23	H	1.276	0.000	1
1638	1	152	THR	C	C	175.590	0.002	1
1639	1	152	THR	CA	C	60.747	0.027	1
1640	1	152	THR	CB	C	72.507	0.028	1
1641	1	152	THR	CG2	C	21.267	0.020	1
1642	1	152	THR	N	N	113.025	0.062	1
1643	1	153	ASP	H	H	9.064	0.029	1
1644	1	153	ASP	HA	H	4.710	0.002	1
1645	1	153	ASP	HB2	H	2.876	0.004	1
1646	1	153	ASP	C	C	178.467	0.010	1
1647	1	153	ASP	CA	C	56.400	0.012	1
1648	1	153	ASP	CB	C	40.412	0.027	1
1649	1	153	ASP	N	N	117.872	0.068	1
1650	1	154	SER	H	H	8.927	0.024	1
1651	1	154	SER	HA	H	4.666	0.000	1
1652	1	154	SER	HB2	H	3.932	0.007	2
1653	1	154	SER	HB3	H	3.872	0.014	2
1654	1	154	SER	C	C	175.620	0.000	1
1655	1	154	SER	CA	C	61.717	0.060	1
1656	1	154	SER	CB	C	63.287	0.089	1
1657	1	154	SER	N	N	115.277	0.035	1
1658	1	155	GLY	H	H	7.687	0.026	1
1659	1	155	GLY	HA2	H	3.952	0.008	1
1660	1	155	GLY	C	C	168.776	0.007	1
1661	1	155	GLY	CA	C	45.477	0.065	1
1662	1	155	GLY	N	N	110.510	0.050	1
1663	1	156	ILE	H	H	8.247	0.032	1
1664	1	156	ILE	HA	H	5.000	0.011	1
1665	1	156	ILE	HB	H	1.493	0.014	1
1666	1	156	ILE	HG12	H	1.639	0.006	1
1667	1	156	ILE	HG21	H	0.438	0.007	1
1668	1	156	ILE	HG22	H	0.438	0.007	1
1669	1	156	ILE	HG23	H	0.438	0.007	1
1670	1	156	ILE	HD11	H	0.763	0.011	1
1671	1	156	ILE	HD12	H	0.763	0.011	1
1672	1	156	ILE	HD13	H	0.763	0.011	1
1673	1	156	ILE	C	C	173.693	0.013	1
1674	1	156	ILE	CA	C	60.047	0.032	1
1675	1	156	ILE	CB	C	39.254	0.054	1
1676	1	156	ILE	CG1	C	26.777	0.013	1
1677	1	156	ILE	CG2	C	18.261	0.024	1
1678	1	156	ILE	CD1	C	15.486	0.025	1
1679	1	156	ILE	N	N	123.074	0.087	1
1680	1	157	HIS	H	H	9.905	0.025	1
1681	1	157	HIS	HA	H	5.958	0.008	1
1682	1	157	HIS	HB2	H	3.060	0.000	2
1683	1	157	HIS	HB3	H	2.893	0.000	2
1684	1	157	HIS	HD2	H	7.090	0.000	1
1685	1	157	HIS	C	C	176.811	0.001	1
1686	1	157	HIS	CA	C	53.931	0.033	1
1687	1	157	HIS	CB	C	32.085	0.026	1
1688	1	157	HIS	CD2	C	130.311	0.000	1
1689	1	157	HIS	N	N	124.606	0.065	1
1690	1	158	ILE	H	H	8.507	0.026	1
1691	1	158	ILE	HA	H	4.171	0.009	1
1692	1	158	ILE	HB	H	1.752	0.010	1
1693	1	158	ILE	HG12	H	1.876	0.000	1
1694	1	158	ILE	HG21	H	1.055	0.000	1
1695	1	158	ILE	HG22	H	1.055	0.000	1
1696	1	158	ILE	HG23	H	1.055	0.000	1
1697	1	158	ILE	HD11	H	1.002	0.000	1
1698	1	158	ILE	HD12	H	1.002	0.000	1
1699	1	158	ILE	HD13	H	1.002	0.000	1
1700	1	158	ILE	C	C	175.284	0.002	1
1701	1	158	ILE	CA	C	62.431	0.060	1
1702	1	158	ILE	CB	C	41.651	0.063	1
1703	1	158	ILE	CG1	C	26.776	0.000	1
1704	1	158	ILE	CG2	C	19.322	0.053	1
1705	1	158	ILE	CD1	C	14.686	0.000	1
1706	1	158	ILE	N	N	115.788	0.069	1
1707	1	159	ILE	H	H	8.844	0.024	1
1708	1	159	ILE	HA	H	4.679	0.005	1
1709	1	159	ILE	HB	H	1.283	0.024	1
1710	1	159	ILE	HG12	H	0.541	0.000	1
1711	1	159	ILE	HG21	H	0.755	0.011	1
1712	1	159	ILE	HG22	H	0.755	0.011	1
1713	1	159	ILE	HG23	H	0.755	0.011	1
1714	1	159	ILE	HD11	H	-0.065	0.009	1
1715	1	159	ILE	HD12	H	-0.065	0.009	1
1716	1	159	ILE	HD13	H	-0.065	0.009	1
1717	1	159	ILE	C	C	172.658	0.011	1
1718	1	159	ILE	CA	C	60.922	0.062	1
1719	1	159	ILE	CB	C	41.826	0.053	1
1720	1	159	ILE	CG1	C	27.852	0.045	1
1721	1	159	ILE	CG2	C	18.093	0.072	1
1722	1	159	ILE	CD1	C	14.679	0.034	1
1723	1	159	ILE	N	N	125.720	0.054	1
1724	1	160	LEU	H	H	8.813	0.021	1
1725	1	160	LEU	HA	H	4.822	0.012	1
1726	1	160	LEU	HB2	H	0.021	0.007	2
1727	1	160	LEU	HB3	H	0.762	0.006	2
1728	1	160	LEU	HG	H	1.029	0.000	1
1729	1	160	LEU	HD11	H	0.466	0.001	2
1730	1	160	LEU	HD12	H	0.466	0.001	2
1731	1	160	LEU	HD13	H	0.466	0.001	2
1732	1	160	LEU	HD21	H	0.325	0.000	2
1733	1	160	LEU	HD22	H	0.325	0.000	2
1734	1	160	LEU	HD23	H	0.325	0.000	2
1735	1	160	LEU	C	C	175.380	0.016	1
1736	1	160	LEU	CA	C	52.926	0.078	1
1737	1	160	LEU	CB	C	45.573	0.057	1
1738	1	160	LEU	CD1	C	22.617	0.000	2
1739	1	160	LEU	CD2	C	25.808	0.040	2
1740	1	160	LEU	N	N	128.880	0.077	1
1741	1	161	ARG	H	H	8.088	0.025	1
1742	1	161	ARG	HA	H	5.119	0.014	1
1743	1	161	ARG	HB2	H	2.072	0.000	1
1744	1	161	ARG	HG2	H	0.784	0.000	2
1745	1	161	ARG	HG3	H	1.109	0.000	2
1746	1	161	ARG	HD2	H	3.199	0.000	2
1747	1	161	ARG	HD3	H	2.860	0.000	2
1748	1	161	ARG	HE	H	7.778	0.003	1
1749	1	161	ARG	C	C	176.182	0.006	1
1750	1	161	ARG	CA	C	56.508	0.050	1
1751	1	161	ARG	CB	C	30.040	0.015	1
1752	1	161	ARG	CG	C	29.817	0.003	1
1753	1	161	ARG	CD	C	43.019	0.011	1
1754	1	161	ARG	N	N	127.405	0.051	1
1755	1	161	ARG	NE	N	88.324	0.052	1
1756	1	162	THR	H	H	9.073	0.026	1
1757	1	162	THR	HA	H	4.379	0.016	1
1758	1	162	THR	HB	H	4.181	0.015	1
1759	1	162	THR	HG21	H	1.025	0.000	1
1760	1	162	THR	HG22	H	1.025	0.000	1
1761	1	162	THR	HG23	H	1.025	0.000	1
1762	1	162	THR	C	C	175.425	0.028	1
1763	1	162	THR	CA	C	62.114	0.038	1
1764	1	162	THR	CB	C	69.519	0.023	1
1765	1	162	THR	CG2	C	21.645	0.008	1
1766	1	162	THR	N	N	121.059	0.068	1
1767	1	163	GLU	H	H	7.957	0.024	1
1768	1	163	GLU	HA	H	4.114	0.004	1
1769	1	163	GLU	HB2	H	1.963	0.013	2
1770	1	163	GLU	HB3	H	1.761	0.009	2
1771	1	163	GLU	HG2	H	2.371	0.002	2
1772	1	163	GLU	HG3	H	2.174	0.000	2
1773	1	163	GLU	C	C	181.359	0.000	1
1774	1	163	GLU	CA	C	58.329	0.029	1
1775	1	163	GLU	CB	C	33.482	0.089	1
1776	1	163	GLU	N	N	126.261	0.075	1

Chemical Shifts 2

¹H: 146, ¹³C: 33, ¹⁵N: 5 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1777	2	3	LEU	H	H	7.59	0	1
1778	2	3	LEU	HA	H	4.283	0.001	1
1779	2	3	LEU	HB3	H	1.451	0	1
1780	2	3	LEU	HG	H	1.445	0.001	1
1781	2	3	LEU	HD11	H	0.694	0	2
1782	2	3	LEU	HD12	H	0.694	0	2
1783	2	3	LEU	HD13	H	0.694	0	2
1784	2	3	LEU	HD21	H	0.734	0	2
1785	2	3	LEU	HD22	H	0.734	0	2
1786	2	3	LEU	HD23	H	0.734	0	2
1787	2	4	TPO	H	H	8.326	0.001	1
1788	2	4	TPO	HG21	H	1.66	0	1
1789	2	4	TPO	HG22	H	1.66	0	1
1790	2	4	TPO	HG23	H	1.66	0	1
1791	2	5	PRO	HA	H	4.341	0.003	1
1792	2	5	PRO	HB2	H	1.966	0.001	2
1793	2	5	PRO	HB3	H	1.091	0	2
1794	2	5	PRO	HG2	H	0.921	0.003	2
1795	2	5	PRO	HG3	H	0.148	0	2
1796	2	5	PRO	HD2	H	3.53	0	2
1797	2	5	PRO	HD3	H	3.683	0	2
1798	2	5	PRO	CA	C	61.302	0.037	1
1799	2	5	PRO	CB	C	29.542	0.053	1
1800	2	5	PRO	CG	C	26.034	0.087	1
1801	2	5	PRO	CD	C	50.087	0.001	1
1802	2	6	PRO	HA	H	4.194	0.77	1
1803	2	6	PRO	HB2	H	2.322	0.001	2
1804	2	6	PRO	HB3	H	1.937	0.002	2
1805	2	6	PRO	HG2	H	1.937	0.001	2
1806	2	6	PRO	HG3	H	2.219	0.677	2
1807	2	6	PRO	HD2	H	3.543	0.003	2
1808	2	6	PRO	HD3	H	3.713	0.002	2
1809	2	6	PRO	CA	C	62.693	0.011	1
1810	2	6	PRO	CB	C	32.175	0.032	1
1811	2	6	PRO	CG	C	27.493	0.016	1
1812	2	6	PRO	CD	C	50.074	0.022	1
1813	2	7	ASP	H	H	8.684	0	1
1814	2	7	ASP	HA	H	4.673	0	1
1815	2	7	ASP	HB2	H	2.731	0	2
1816	2	7	ASP	HB3	H	2.666	0	2
1817	2	8	GLN	H	H	8.307	0	1
1818	2	8	GLN	HA	H	4.364	0	1
1819	2	8	GLN	HB2	H	1.94	0	2
1820	2	8	GLN	HB3	H	2.102	0	2
1821	2	8	GLN	HG2	H	2.38	0	1
1822	2	8	GLN	HE21	H	7.6	0	1
1823	2	8	GLN	HE22	H	7.001	0	1
1824	2	9	GLU	H	H	8.507	0	1
1825	2	9	GLU	HA	H	4.272	0	1
1826	2	9	GLU	HB2	H	1.932	0	2
1827	2	9	GLU	HB3	H	2.02	0	2
1828	2	9	GLU	HG2	H	2.216	0	2
1829	2	9	GLU	HG3	H	2.267	0	2
1830	2	10	VAL	H	H	8.134	0	1
1831	2	10	VAL	HA	H	4.044	0.002	1
1832	2	10	VAL	HB	H	2.019	0.002	1
1833	2	10	VAL	HG11	H	0.888	0.017	2
1834	2	10	VAL	HG12	H	0.888	0.017	2
1835	2	10	VAL	HG13	H	0.888	0.017	2
1836	2	10	VAL	HG21	H	0.86	0.01	2
1837	2	10	VAL	HG22	H	0.86	0.01	2
1838	2	10	VAL	HG23	H	0.86	0.01	2
1839	2	10	VAL	CA	C	62.669	0.034	1
1840	2	10	VAL	CB	C	32.682	0.01	1
1841	2	10	VAL	CG1	C	20.921	0.058	2
1842	2	10	VAL	CG2	C	21.026	0.048	2
1843	2	10	VAL	N	N	121.396	0	1
1844	2	11	ILE	H	H	8.157	0.027	1
1845	2	11	ILE	HA	H	4.137	0.008	1
1846	2	11	ILE	HB	H	1.847	0.001	1
1847	2	11	ILE	HG12	H	1.17	0.017	2
1848	2	11	ILE	HG13	H	1.44	0.031	2
1849	2	11	ILE	HG21	H	0.874	0.001	1
1850	2	11	ILE	HG22	H	0.874	0.001	1
1851	2	11	ILE	HG23	H	0.874	0.001	1
1852	2	11	ILE	HD11	H	0.819	0.009	1
1853	2	11	ILE	HD12	H	0.819	0.009	1
1854	2	11	ILE	HD13	H	0.819	0.009	1
1855	2	11	ILE	CA	C	61.113	0.01	1
1856	2	11	ILE	CB	C	38.347	0.009	1
1857	2	11	ILE	CG1	C	27.375	0.013	1
1858	2	11	ILE	CG2	C	17.419	0.013	1
1859	2	11	ILE	CD1	C	12.593	0.033	1
1860	2	11	ILE	N	N	124.527	0	1
1861	2	12	ARG	H	H	8.396	0	1
1862	2	12	ARG	HA	H	4.343	0	1
1863	2	12	ARG	HB2	H	1.735	0	2
1864	2	12	ARG	HB3	H	1.805	0	2
1865	2	12	ARG	HG2	H	1.572	0	2
1866	2	12	ARG	HG3	H	1.625	0	2
1867	2	12	ARG	HD2	H	3.169	0	1
1868	2	12	ARG	HE	H	7.256	0	1
1869	2	13	ASN	H	H	8.487	0	1
1870	2	13	ASN	HA	H	4.728	0	1
1871	2	13	ASN	HB2	H	2.724	0	2
1872	2	13	ASN	HB3	H	2.808	0	2
1873	2	13	ASN	HD21	H	6.852	0	1
1874	2	13	ASN	HD22	H	7.53	0	1
1875	2	14	ILE	H	H	8.149	0	1
1876	2	14	ILE	HA	H	4.183	0	1
1877	2	14	ILE	HB	H	1.869	0	1
1878	2	14	ILE	HG12	H	1.141	0.003	1
1879	2	14	ILE	HG13	H	1.41	0.008	1
1880	2	14	ILE	HG21	H	0.86	0	1
1881	2	14	ILE	HG22	H	0.86	0	1
1882	2	14	ILE	HG23	H	0.86	0	1
1883	2	14	ILE	HD11	H	0.864	0	1
1884	2	14	ILE	HD12	H	0.864	0	1
1885	2	14	ILE	HD13	H	0.864	0	1
1886	2	15	ASP	H	H	8.413	0.007	1
1887	2	15	ASP	HA	H	4.583	0	1
1888	2	15	ASP	HB2	H	2.612	0.002	1
1889	2	15	ASP	HB3	H	2.612	0.002	1
1890	2	16	GLN	H	H	8.37	0.004	1
1891	2	16	GLN	HA	H	4.305	0.004	1
1892	2	16	GLN	HB2	H	1.969	0.003	1
1893	2	16	GLN	HB3	H	2.12	0.006	1
1894	2	16	GLN	HG2	H	2.027	0	1
1895	2	16	GLN	HG3	H	2.118	0	1
1896	2	16	GLN	HE21	H	7.535	0.003	1
1897	2	16	GLN	HE22	H	7.539	0	1
1898	2	17	SER	H	H	8.426	0.003	1
1899	2	17	SER	HA	H	4.337	0	1
1900	2	17	SER	HB2	H	3.825	0.005	1
1901	2	17	SER	HB3	H	3.83	0.015	1
1902	2	18	GLU	H	H	8.353	0.003	1
1903	2	18	GLU	HA	H	4.156	0.001	1
1904	2	18	GLU	HB2	H	1.846	0.005	1
1905	2	18	GLU	HB3	H	1.808	0.018	1
1906	2	18	GLU	HG2	H	1.841	0	1
1907	2	18	GLU	HG3	H	2.095	0.002	1
1908	2	19	PHE	H	H	8.073	0.007	1
1909	2	19	PHE	HA	H	4.502	0.002	1
1910	2	19	PHE	HB2	H	2.95	0.05	2
1911	2	19	PHE	HB3	H	3.055	0.08	2
1912	2	19	PHE	HD1	H	7.168	0.001	1
1913	2	19	PHE	HD2	H	7.168	0.001	1
1914	2	19	PHE	HE1	H	7.237	0.003	1
1915	2	19	PHE	HE2	H	7.241	0.005	1
1916	2	19	PHE	CA	C	57.74	0	1
1917	2	19	PHE	CB	C	39.539	0.025	1
1918	2	19	PHE	CD1	C	131.734	0	1
1919	2	19	PHE	CD2	C	131.734	0	1
1920	2	19	PHE	CE1	C	131.546	0	1
1921	2	19	PHE	CE2	C	131.546	0	1
1922	2	19	PHE	N	N	120.063	0	1
1923	2	20	GLU	H	H	8.087	0.004	1
1924	2	20	GLU	HA	H	4.126	0.011	1
1925	2	20	GLU	HB2	H	1.823	0.007	1
1926	2	20	GLU	HB3	H	1.912	0.002	1
1927	2	20	GLU	HG2	H	2.158	0.003	1
1928	2	21	GLY	H	H	7.628	0.003	1
1929	2	21	GLY	HA2	H	3.714	0.005	1
1930	2	21	GLY	HA3	H	3.606	0.01	1
1931	2	22	PHE	H	H	8.063	0	1
1932	2	22	PHE	HA	H	4.501	0	1
1933	2	22	PHE	HB2	H	2.352	0.017	2
1934	2	22	PHE	HB3	H	2.189	0.003	2
1935	2	22	PHE	HD1	H	7.108	0.003	1
1936	2	22	PHE	HD2	H	7.108	0.003	1
1937	2	22	PHE	HE1	H	7.301	0.003	1
1938	2	22	PHE	HE2	H	7.301	0.003	1
1939	2	22	PHE	CA	C	56.053	0	1
1940	2	22	PHE	CB	C	39.316	0	1
1941	2	22	PHE	CD1	C	131.743	0	1
1942	2	22	PHE	CD2	C	131.743	0	1
1943	2	22	PHE	CE1	C	131.632	0	1
1944	2	22	PHE	CE2	C	131.632	0	1
1945	2	22	PHE	N	N	120.07	0	1
1946	2	23	SEP	H	H	9.488	0.003	1
1947	2	23	SEP	HA	H	4.368	0.002	1
1948	2	24	PHE	H	H	6.963	0.005	1
1949	2	24	PHE	HA	H	4.629	0.001	1
1950	2	24	PHE	HB2	H	2.97	0.004	2
1951	2	24	PHE	HB3	H	2.885	0.004	2
1952	2	24	PHE	HD1	H	6.79	0.002	1
1953	2	24	PHE	HD2	H	6.79	0.002	1
1954	2	24	PHE	CA	C	55.628	0.013	1
1955	2	24	PHE	CB	C	37.192	0.028	1
1956	2	24	PHE	CD1	C	132.467	0	1
1957	2	24	PHE	CD2	C	132.467	0	1
1958	2	24	PHE	N	N	118.984	0	1
1959	2	25	NH2	HN1	H	8.536	0	1
1960	2	25	NH2	HN2	H	7.387	0.002	1

Release date

2023-05-04

Citation

Sequestration Without Isomerization: Non-Catalytic Role of Pin1 in PKC Regulation
Dixit, K., Yang, Y., Chen, X.R., Igumenova, T.I.

Related entities 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 1, : 1 : 10 entities Detail

Related entities 2. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 2, : 1 : 2 : 89 entities Detail

Experiments performed 47 experiments Detail

1 2D [15N,1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1.05 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 0.9 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

2 2D 1H-15N HSQC NH2

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

3 3D HNCO

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

4 3D HNCACB

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

5 3D C(CO)NH

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

6 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

7 3D HNCACO

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

8 3D HNHA

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

9 3D HNHB

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

10 3D H(CCO)NH

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

11 3D 15N-EDITED NOESY- HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

12 3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

13 3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1.05 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 0.9 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

14 3D 13C-EDITED NOESY- HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

15 3D 13Caro-EDITED NOESY- HSQC

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

16 2D CT [13C, 1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

17 2D CT 1H-13C AROMATIC HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

18 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

19 3D HCCH-COSY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
7	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
8	The C-terminal tail of PKC	natural abundance	0.9 mM
9	imidazole	[U-100% 2H]	10 mM
10	potassium chloride	natural abundance	100 mM
11	TCEP	natural abundance	1 mM
12	sodium azide	natural abundance	0.02 % w/v

20 2D (HB)CB(CGCDCE)HE

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

21 2D (HB)CB(CGCD)HD

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.05 mM
2	The C-terminal tail of PKC	natural abundance	0.9 mM
3	imidazole	[U-100% 2H]	10 mM
4	potassium chloride	natural abundance	100 mM
5	TCEP	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 % w/v

22 2D [F1] 13C, 15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
13	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
14	The C-terminal tail of PKC	natural abundance	1.3 mM
15	imidazole	[U-100% 2H]	10 mM
16	potassium chloride	natural abundance	100 mM
17	TCEP	natural abundance	1 mM
18	sodium azide	natural abundance	0.02 % w/v

23 2D [F2] 13C,15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
13	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
14	The C-terminal tail of PKC	natural abundance	1.3 mM
15	imidazole	[U-100% 2H]	10 mM
16	potassium chloride	natural abundance	100 mM
17	TCEP	natural abundance	1 mM
18	sodium azide	natural abundance	0.02 % w/v

24 2D [F1,F2] 13C,15N-FILTERED NOESY

Instrument

Bruker AVANCE - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
13	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
14	The C-terminal tail of PKC	natural abundance	1.3 mM
15	imidazole	[U-100% 2H]	10 mM
16	potassium chloride	natural abundance	100 mM
17	TCEP	natural abundance	1 mM
18	sodium azide	natural abundance	0.02 % w/v

25 2D [F1,F2] 13C,15N-FILTERED TOCSY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
13	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
14	The C-terminal tail of PKC	natural abundance	1.3 mM
15	imidazole	[U-100% 2H]	10 mM
16	potassium chloride	natural abundance	100 mM
17	TCEP	natural abundance	1 mM
18	sodium azide	natural abundance	0.02 % w/v

26 3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 5.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
19	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
20	The C-terminal tail of PKC	natural abundance	5.5 mM
21	imidazole	[U-100% 2H]	10 mM
22	potassium chloride	natural abundance	100 mM
23	TCEP	natural abundance	1 mM
24	sodium azide	natural abundance	0.02 % w/v

27 3D [F1] 13C, 15N-FILTERED NOESY- 13Caro-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
19	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
20	The C-terminal tail of PKC	natural abundance	5.5 mM
21	imidazole	[U-100% 2H]	10 mM
22	potassium chloride	natural abundance	100 mM
23	TCEP	natural abundance	1 mM
24	sodium azide	natural abundance	0.02 % w/v

28 2D [F1] 13C,15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.8 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
25	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
26	The C-terminal tail of PKC	natural abundance	1.8 mM
27	imidazole	[U-100% 2H]	10 mM
28	potassium chloride	natural abundance	100 mM
29	TCEP	natural abundance	1 mM
30	sodium azide	natural abundance	0.02 % w/v

29 2D [F2] 13C,15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
25	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
26	The C-terminal tail of PKC	natural abundance	1.8 mM
27	imidazole	[U-100% 2H]	10 mM
28	potassium chloride	natural abundance	100 mM
29	TCEP	natural abundance	1 mM
30	sodium azide	natural abundance	0.02 % w/v

30 2D [F1,F2] 13C,15N-FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
25	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
26	The C-terminal tail of PKC	natural abundance	1.8 mM
27	imidazole	[U-100% 2H]	10 mM
28	potassium chloride	natural abundance	100 mM
29	TCEP	natural abundance	1 mM
30	sodium azide	natural abundance	0.02 % w/v

31 2D [F1,F2] 13C,15N-FILTERED TOCSY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
25	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
26	The C-terminal tail of PKC	natural abundance	1.8 mM
27	imidazole	[U-100% 2H]	10 mM
28	potassium chloride	natural abundance	100 mM
29	TCEP	natural abundance	1 mM
30	sodium azide	natural abundance	0.02 % w/v

32 3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

33 3D [F1] 13C, 15N-FILTERED NOESY- 13Caro-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

34 3D [F1] 13C, 15N-FILTERED NOESY- 13Cali-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

35 2D [15N,1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

36 2D CT [13C, 1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

37 3D HNCACB

Instrument

Bruker AVANCE - 500 MHz room temperature probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
31	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.5 mM
32	The C-terminal tail of PKC	natural abundance	2.5 mM
33	imidazole	[U-100% 2H]	10 mM
34	potassium chloride	natural abundance	100 mM
35	TCEP	natural abundance	1 mM
36	sodium azide	natural abundance	0.02 % w/v

38 3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
37	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
38	The C-terminal tail of PKC	natural abundance	1.5 mM
39	imidazole	[U-100% 2H]	10 mM
40	potassium chloride	natural abundance	100 mM
41	TCEP	natural abundance	1 mM
42	sodium azide	natural abundance	0.02 % w/v

39 3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
37	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
38	The C-terminal tail of PKC	natural abundance	1.5 mM
39	imidazole	[U-100% 2H]	10 mM
40	potassium chloride	natural abundance	100 mM
41	TCEP	natural abundance	1 mM
42	sodium azide	natural abundance	0.02 % w/v

40 2D [15N,1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
37	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
38	The C-terminal tail of PKC	natural abundance	1.5 mM
39	imidazole	[U-100% 2H]	10 mM
40	potassium chloride	natural abundance	100 mM
41	TCEP	natural abundance	1 mM
42	sodium azide	natural abundance	0.02 % w/v

41 2D CT [13C, 1H] HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
37	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1 mM
38	The C-terminal tail of PKC	natural abundance	1.5 mM
39	imidazole	[U-100% 2H]	10 mM
40	potassium chloride	natural abundance	100 mM
41	TCEP	natural abundance	1 mM
42	sodium azide	natural abundance	0.02 % w/v

42 3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 1.3 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
43	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.3 mM
44	The C-terminal tail of PKC	natural abundance	1 mM
45	imidazole	[U-100% 2H]	10 mM
46	potassium chloride	natural abundance	100 mM
47	TCEP	natural abundance	1 mM
48	sodium azide	natural abundance	0.02 % w/v

43 3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
43	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	1.3 mM
44	The C-terminal tail of PKC	natural abundance	1 mM
45	imidazole	[U-100% 2H]	10 mM
46	potassium chloride	natural abundance	100 mM
47	TCEP	natural abundance	1 mM
48	sodium azide	natural abundance	0.02 % w/v

44 2D [F1] 13C, 15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
49	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
50	The C-terminal tail of PKC	natural abundance	1.3 mM
51	imidazole	[U-100% 2H]	10 mM
52	potassium chloride	natural abundance	100 mM
53	TCEP	natural abundance	1 mM
54	sodium azide	natural abundance	0.02 % w/v

45 2D [F2] 13C, 15N- FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
49	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
50	The C-terminal tail of PKC	natural abundance	1.3 mM
51	imidazole	[U-100% 2H]	10 mM
52	potassium chloride	natural abundance	100 mM
53	TCEP	natural abundance	1 mM
54	sodium azide	natural abundance	0.02 % w/v

46 2D [F1,F2] 13C,15N-FILTERED NOESY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
49	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
50	The C-terminal tail of PKC	natural abundance	1.3 mM
51	imidazole	[U-100% 2H]	10 mM
52	potassium chloride	natural abundance	100 mM
53	TCEP	natural abundance	1 mM
54	sodium azide	natural abundance	0.02 % w/v

47 2D [F1,F2] 13C,15N-FILTERED TOCSY

Instrument

Bruker AVANCE - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.2) K, pH 6.66 (±0.02), Details 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O

#	Name	Isotope labeling	Concentration
49	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1	[U-13C; U-15N]	0.8 mM
50	The C-terminal tail of PKC	natural abundance	1.3 mM
51	imidazole	[U-100% 2H]	10 mM
52	potassium chloride	natural abundance	100 mM
53	TCEP	natural abundance	1 mM
54	sodium azide	natural abundance	0.02 % w/v

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31080_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	ACE	ACETYL GROUP	None
2	4	TPO	PHOSPHOTHREONINE	Assigned chemical shifts
2	23	SEP	PHOSPHOSERINE	Assigned chemical shifts
2	25	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr31080_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1776	99.4 (chain: 1, length: 163)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	184	92.0 (chain: 2, length: 25)
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: 163, Sequence coverage: 99.4%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGE
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.ADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGE

-------110-------120-------130-------140-------150-------160---
EDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
EDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE

Total number of assignments
- ¹H chemical shifts: 949
- ¹³C chemical shifts: 645
- ¹⁵N chemical shifts: 182

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
14	ARG	HH21	6.4
14	ARG	CZ	159.102
14	ARG	NE	83.831
14	ARG	NH2	71.869
17	ARG	NE	85.521
21	ARG	HH21	6.111
21	ARG	CZ	158.885
21	ARG	NE	83.731
27	HIS	HD1	7.02
36	ARG	NE	85.41
54	ARG	CZ	159.487
54	ARG	NE	84.234
56	ARG	NE	84.201
68	ARG	HH21	6.379
68	ARG	NE	85.34
69	ARG	NE	84.933
74	ARG	HH21	6.792
74	ARG	NE	84.483
80	ARG	NE	81.113
119	ARG	NE	84.231
127	ARG	NE	85.4
142	ARG	NE	85.031
161	ARG	NE	88.324

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	974	806	82.8
¹³C chemical shifts	712	642	90.2
¹⁵N chemical shifts	172	167	97.1

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	334	320	95.8
¹³C chemical shifts	326	321	98.5
¹⁵N chemical shifts	156	153	98.1

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	640	486	75.9
¹³C chemical shifts	386	321	83.2
¹⁵N chemical shifts	16	14	87.5

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	61	98.4
¹³C chemical shifts	62	60	96.8

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	58	79.5
¹³C chemical shifts	70	43	61.4
¹⁵N chemical shifts	3	3	100.0

Redox state of CYS
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

Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 25, Sequence coverage: 92.0%
- Total number of assignments
  - ¹H chemical shifts: 146
  - ¹³C chemical shifts: 33
  - ¹⁵N chemical shifts: 5
- Completeness of assignments
  - Entity_assemble_ID: 2
- 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: 2

Keywords ISOMERASE, Pin1, bivalent complex, hydrophobic motif, protein kinase C, turn motif

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	142	122	85.9
¹³C chemical shifts	110	33	30.0
¹⁵N chemical shifts	25	5	20.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	42	93.3
¹³C chemical shifts	46	7	15.2
¹⁵N chemical shifts	22	5	22.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	97	80	82.5
¹³C chemical shifts	64	26	40.6
¹⁵N chemical shifts	3	0	0.0

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Found 1 Document (0.702 seconds)

BMRB: 31080

Related entities 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 1, : 1 : 10 entities Detail

Related entities 2. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), PROTEIN KINASE C BETA TYPE (E.C.2.7.11.13), entity 2, : 1 : 2 : 89 entities Detail

Experiments performed 47 experiments Detail

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