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BMRB: 34727

7ZEY

RNA binding induces an allosteric switch in Cyp33 to repress MLL1 mediated transcription

Authors

Blatter, M., Allain, F., Meylan, C.

Assembly

Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320

Entity

1. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 1 (polymer, Thiol state: not present), 117 monomers, 13171.70 Da Detail

AGHMATTKRV LYVGGLAEEV DDKVLHAAFI PFGDITDIQI PLDYETEKHR GFAFVEFELA EDAAAAIDNM NESELFGRTI RVNLAKPMRI KEGSSRPVWS DDDWLKKFSG KTLEENK

2. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 2 (polymer), 64 monomers, 7429.293 Da Detail

AKGNFCPLCD KCYDDDDYES KMMQCGKCDR WVHSKCENLS DEMYEILSNL PESVAYTCVN CTER

3. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

20731.81 Da

Max. entity weight

13171.7 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	2:CYS6:SG	3:ZN1:ZN
2	na	sing	2:CYS9:SG	3:ZN1:ZN
3	na	sing	2:CYS25:SG	3:ZN1:ZN
4	na	sing	2:CYS28:SG	3:ZN1:ZN
5	na	sing	2:HIS33:ND1	3:ZN1:ZN
6	na	sing	2:CYS36:SG	3:ZN1:ZN
7	na	sing	2:CYS58:SG	3:ZN1:ZN
8	na	sing	2:CYS61:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemical Shifts 1

¹H: 384, ¹³C: 185, ¹⁵N: 60 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	2	1	ALA	HA	H	4.237	0.000
2	2	1	ALA	HB1	H	1.313	0.000
3	2	1	ALA	HB2	H	1.313	0.000
4	2	1	ALA	HB3	H	1.313	0.000
5	2	1	ALA	CA	C	52.763	0.000
6	2	1	ALA	CB	C	19.381	0.000
7	2	2	LYS	H	H	8.168	0.000
8	2	2	LYS	HA	H	4.235	0.001
9	2	2	LYS	HB2	H	1.768	0.003
10	2	2	LYS	HB3	H	1.689	0.000
11	2	2	LYS	HG2	H	1.312	0.015
12	2	2	LYS	HG3	H	1.312	0.015
13	2	2	LYS	HD2	H	1.715	0.000
14	2	2	LYS	HD3	H	1.715	0.000
15	2	2	LYS	HE2	H	2.948	0.002
16	2	2	LYS	HE3	H	2.948	0.002
17	2	2	LYS	CA	C	56.596	0.000
18	2	2	LYS	CB	C	33.106	0.001
19	2	2	LYS	CG	C	24.789	0.000
20	2	2	LYS	CD	C	27.774	0.000
21	2	2	LYS	CE	C	42.264	0.000
22	2	2	LYS	N	N	119.952	0.000
23	2	3	GLY	H	H	8.227	0.001
24	2	3	GLY	HA2	H	3.942	0.000
25	2	3	GLY	HA3	H	3.907	0.000
26	2	3	GLY	CA	C	45.386	0.001
27	2	3	GLY	N	N	109.415	0.012
28	2	4	ASN	H	H	8.175	0.000
29	2	4	ASN	HA	H	4.805	0.000
30	2	4	ASN	HB2	H	2.755	0.010
31	2	4	ASN	HB3	H	2.604	0.005
32	2	4	ASN	HD21	H	7.206	0.005
33	2	4	ASN	HD22	H	6.768	0.000
34	2	4	ASN	CA	C	52.959	0.000
35	2	4	ASN	CB	C	39.242	0.012
36	2	4	ASN	N	N	118.482	0.000
37	2	4	ASN	ND2	N	112.976	0.027
38	2	5	PHE	HA	H	4.333	0.000
39	2	5	PHE	HB2	H	3.028	0.000
40	2	5	PHE	HB3	H	3.028	0.000
41	2	5	PHE	HD1	H	7.102	0.000
42	2	5	PHE	HD2	H	7.102	0.000
43	2	5	PHE	HE1	H	7.320	0.001
44	2	5	PHE	HE2	H	7.320	0.001
45	2	5	PHE	HZ	H	7.337	0.000
46	2	5	PHE	CA	C	59.460	0.000
47	2	5	PHE	CB	C	38.552	0.000
48	2	5	PHE	CD1	C	131.965	0.000
49	2	5	PHE	CE1	C	131.528	0.055
50	2	5	PHE	CZ	C	130.011	0.000
51	2	6	CYS	H	H	8.340	0.000
52	2	6	CYS	HA	H	5.167	0.000
53	2	6	CYS	HB2	H	3.339	0.000
54	2	6	CYS	HB3	H	3.072	0.000
55	2	6	CYS	CA	C	55.736	0.000
56	2	6	CYS	CB	C	31.882	0.057
57	2	6	CYS	N	N	127.724	0.000
58	2	7	PRO	HA	H	4.378	0.000
59	2	7	PRO	HB2	H	2.442	0.000
60	2	7	PRO	HB3	H	2.442	0.000
61	2	7	PRO	HG2	H	2.103	0.000
62	2	7	PRO	HG3	H	2.058	0.000
63	2	7	PRO	HD2	H	4.384	0.000
64	2	7	PRO	HD3	H	4.132	0.000
65	2	7	PRO	CA	C	63.197	0.000
66	2	7	PRO	CB	C	31.307	0.000
67	2	7	PRO	CG	C	27.254	0.007
68	2	7	PRO	CD	C	51.582	0.008
69	2	8	LEU	HA	H	4.531	0.000
70	2	8	LEU	HB2	H	2.017	0.000
71	2	8	LEU	HB3	H	1.767	0.000
72	2	8	LEU	HG	H	1.773	0.000
73	2	8	LEU	HD11	H	1.075	0.000
74	2	8	LEU	HD12	H	1.075	0.000
75	2	8	LEU	HD13	H	1.075	0.000
76	2	8	LEU	HD21	H	0.995	0.000
77	2	8	LEU	HD22	H	0.995	0.000
78	2	8	LEU	HD23	H	0.995	0.000
79	2	8	LEU	CA	C	56.122	0.000
80	2	8	LEU	CB	C	42.570	0.013
81	2	8	LEU	CG	C	28.126	0.000
82	2	8	LEU	CD1	C	26.032	0.000
83	2	8	LEU	CD2	C	23.283	0.000
84	2	9	CYS	HB2	H	3.712	0.000
85	2	9	CYS	HB3	H	3.712	0.000
86	2	9	CYS	CB	C	32.607	0.000
87	2	10	ASP	HA	H	4.598	0.000
88	2	10	ASP	HB2	H	3.007	0.000
89	2	10	ASP	HB3	H	2.664	0.000
90	2	10	ASP	CA	C	55.698	0.000
91	2	10	ASP	CB	C	40.270	0.010
92	2	12	CYS	H	H	8.470	0.000
93	2	12	CYS	HA	H	4.482	0.000
94	2	12	CYS	HB2	H	2.656	0.000
95	2	12	CYS	HB3	H	2.656	0.000
96	2	12	CYS	CA	C	55.506	0.000
97	2	12	CYS	CB	C	28.257	0.000
98	2	12	CYS	N	N	121.006	0.000
99	2	13	TYR	H	H	8.163	0.000
100	2	13	TYR	HA	H	4.488	0.000
101	2	13	TYR	HB2	H	2.889	0.000
102	2	13	TYR	HB3	H	2.764	0.000
103	2	13	TYR	HD1	H	6.838	0.000
104	2	13	TYR	HD2	H	6.838	0.000
105	2	13	TYR	HE1	H	6.462	0.001
106	2	13	TYR	HE2	H	6.462	0.001
107	2	13	TYR	CA	C	58.350	0.000
108	2	13	TYR	CB	C	39.010	0.006
109	2	13	TYR	CD1	C	132.873	0.000
110	2	13	TYR	CE1	C	117.817	0.005
111	2	13	TYR	N	N	124.433	0.000
112	2	15	ASP	H	H	8.126	0.000
113	2	15	ASP	HA	H	4.621	0.000
114	2	15	ASP	HB2	H	2.719	0.000
115	2	15	ASP	HB3	H	2.719	0.000
116	2	15	ASP	CA	C	56.295	0.000
117	2	15	ASP	CB	C	41.750	0.000
118	2	15	ASP	N	N	120.541	0.000
119	2	16	ASP	H	H	8.282	0.000
120	2	16	ASP	HA	H	4.566	0.000
121	2	16	ASP	HB2	H	2.708	0.000
122	2	16	ASP	HB3	H	2.630	0.000
123	2	16	ASP	CA	C	54.992	0.000
124	2	16	ASP	CB	C	41.224	0.013
125	2	16	ASP	N	N	119.590	0.000
126	2	17	ASP	H	H	8.071	0.000
127	2	17	ASP	HA	H	4.589	0.000
128	2	17	ASP	HB2	H	2.692	0.000
129	2	17	ASP	HB3	H	2.692	0.000
130	2	17	ASP	CA	C	54.305	0.000
131	2	17	ASP	CB	C	41.222	0.000
132	2	17	ASP	N	N	119.772	0.000
133	2	18	TYR	H	H	8.091	0.000
134	2	18	TYR	HB2	H	2.969	0.000
135	2	18	TYR	HB3	H	2.969	0.000
136	2	18	TYR	HD1	H	6.786	0.000
137	2	18	TYR	HD2	H	6.786	0.000
138	2	18	TYR	HE1	H	6.584	0.003
139	2	18	TYR	HE2	H	6.584	0.003
140	2	18	TYR	CB	C	38.715	0.000
141	2	18	TYR	CD1	C	132.885	0.000
142	2	18	TYR	CE1	C	118.140	0.000
143	2	18	TYR	N	N	121.394	0.000
144	2	19	GLU	H	H	8.249	0.000
145	2	19	GLU	HA	H	4.204	0.000
146	2	19	GLU	CA	C	57.083	0.000
147	2	19	GLU	N	N	118.909	0.000
148	2	20	SER	H	H	7.849	0.005
149	2	20	SER	HA	H	4.315	0.000
150	2	20	SER	HB2	H	3.874	0.014
151	2	20	SER	HB3	H	3.874	0.014
152	2	20	SER	CA	C	58.918	0.000
153	2	20	SER	CB	C	64.130	0.000
154	2	20	SER	N	N	115.171	0.000
155	2	21	LYS	H	H	7.982	0.002
156	2	21	LYS	HB2	H	1.765	0.000
157	2	21	LYS	HB3	H	1.765	0.000
158	2	21	LYS	CB	C	32.165	0.000
159	2	21	LYS	N	N	122.131	0.000
160	2	22	MET	H	H	8.624	0.000
161	2	22	MET	HA	H	5.316	0.000
162	2	22	MET	HB2	H	2.063	0.034
163	2	22	MET	HB3	H	1.914	0.000
164	2	22	MET	HG2	H	2.517	0.007
165	2	22	MET	HG3	H	2.242	0.021
166	2	22	MET	HE1	H	1.248	0.000
167	2	22	MET	HE2	H	1.248	0.000
168	2	22	MET	HE3	H	1.248	0.000
169	2	22	MET	CA	C	55.120	0.000
170	2	22	MET	CB	C	36.761	0.005
171	2	22	MET	CG	C	32.648	0.035
172	2	22	MET	CE	C	16.516	0.000
173	2	22	MET	N	N	121.532	0.000
174	2	23	MET	H	H	9.580	0.000
175	2	23	MET	HA	H	4.854	0.000
176	2	23	MET	HB2	H	1.667	0.000
177	2	23	MET	HB3	H	1.584	0.000
178	2	23	MET	HG2	H	2.052	0.000
179	2	23	MET	HG3	H	1.959	0.000
180	2	23	MET	HE1	H	1.538	0.000
181	2	23	MET	HE2	H	1.538	0.000
182	2	23	MET	HE3	H	1.538	0.000
183	2	23	MET	CA	C	54.139	0.000
184	2	23	MET	CB	C	35.958	0.012
185	2	23	MET	CG	C	30.729	0.009
186	2	23	MET	CE	C	17.130	0.000
187	2	23	MET	N	N	118.047	0.000
188	2	24	GLN	H	H	8.360	0.000
189	2	24	GLN	HA	H	4.852	0.000
190	2	24	GLN	HB2	H	1.277	0.000
191	2	24	GLN	HB3	H	1.277	0.000
192	2	24	GLN	HG2	H	1.429	0.000
193	2	24	GLN	HG3	H	0.785	0.006
194	2	24	GLN	HE21	H	6.904	0.013
195	2	24	GLN	HE22	H	6.459	0.003
196	2	24	GLN	CA	C	53.792	0.000
197	2	24	GLN	CB	C	29.551	0.000
198	2	24	GLN	CG	C	33.161	0.010
199	2	24	GLN	N	N	123.140	0.000
200	2	24	GLN	NE2	N	109.929	0.001
201	2	25	CYS	H	H	8.586	0.000
202	2	25	CYS	HA	H	4.493	0.000
203	2	25	CYS	HB2	H	2.582	0.000
204	2	25	CYS	HB3	H	3.468	0.000
205	2	25	CYS	CA	C	58.749	0.000
206	2	25	CYS	CB	C	32.045	0.003
207	2	25	CYS	N	N	127.464	0.000
208	2	26	GLY	H	H	9.508	0.000
209	2	26	GLY	HA2	H	4.113	0.000
210	2	26	GLY	HA3	H	3.600	0.000
211	2	26	GLY	CA	C	46.722	0.002
212	2	26	GLY	N	N	116.995	0.000
213	2	27	LYS	H	H	9.360	0.000
214	2	27	LYS	HA	H	4.310	0.000
215	2	27	LYS	HB2	H	2.251	0.000
216	2	27	LYS	HB3	H	1.887	0.000
217	2	27	LYS	HG2	H	1.393	0.000
218	2	27	LYS	HG3	H	1.393	0.000
219	2	27	LYS	HD2	H	1.660	0.000
220	2	27	LYS	HD3	H	1.660	0.000
221	2	27	LYS	HE2	H	2.893	0.000
222	2	27	LYS	HE3	H	2.893	0.000
223	2	27	LYS	CA	C	58.140	0.000
224	2	27	LYS	CB	C	33.679	0.022
225	2	27	LYS	CG	C	25.779	0.000
226	2	27	LYS	CD	C	29.169	0.000
227	2	27	LYS	CE	C	42.194	0.000
228	2	27	LYS	N	N	124.352	0.000
229	2	28	CYS	H	H	8.381	0.000
230	2	28	CYS	HA	H	4.831	0.000
231	2	28	CYS	HB2	H	3.216	0.000
232	2	28	CYS	HB3	H	2.640	0.000
233	2	28	CYS	CA	C	58.894	0.000
234	2	28	CYS	CB	C	32.034	0.006
235	2	28	CYS	N	N	117.973	0.000
236	2	29	ASP	H	H	7.529	0.000
237	2	29	ASP	HA	H	4.533	0.000
238	2	29	ASP	HB2	H	2.894	0.003
239	2	29	ASP	HB3	H	2.894	0.003
240	2	29	ASP	CA	C	56.749	0.000
241	2	29	ASP	CB	C	40.518	0.000
242	2	29	ASP	N	N	118.372	0.000
243	2	30	ARG	H	H	8.185	0.000
244	2	30	ARG	HA	H	4.440	0.000
245	2	30	ARG	HB2	H	2.098	0.000
246	2	30	ARG	HB3	H	1.782	0.000
247	2	30	ARG	HG2	H	1.823	0.000
248	2	30	ARG	HG3	H	1.741	0.000
249	2	30	ARG	HD2	H	3.334	0.000
250	2	30	ARG	HD3	H	3.306	0.000
251	2	30	ARG	CA	C	56.408	0.000
252	2	30	ARG	CB	C	31.236	0.016
253	2	30	ARG	CG	C	27.915	0.001
254	2	30	ARG	CD	C	43.679	0.013
255	2	30	ARG	N	N	121.167	0.000
256	2	31	TRP	H	H	8.434	0.013
257	2	31	TRP	HA	H	4.997	0.000
258	2	31	TRP	HD1	H	7.306	0.009
259	2	31	TRP	HE1	H	10.011	0.004
260	2	31	TRP	HE3	H	7.158	0.000
261	2	31	TRP	HZ2	H	7.405	0.030
262	2	31	TRP	HZ3	H	6.950	0.000
263	2	31	TRP	HH2	H	7.237	0.004
264	2	31	TRP	CA	C	56.653	0.000
265	2	31	TRP	CD1	C	127.215	0.005
266	2	31	TRP	CE3	C	124.591	0.000
267	2	31	TRP	CZ2	C	115.063	0.004
268	2	31	TRP	CZ3	C	121.742	0.000
269	2	31	TRP	CH2	C	120.140	0.002
270	2	31	TRP	N	N	122.002	0.000
271	2	31	TRP	NE1	N	114.586	6.077
272	2	32	VAL	H	H	9.060	0.000
273	2	32	VAL	HB	H	2.197	0.000
274	2	32	VAL	HG11	H	0.979	0.000
275	2	32	VAL	HG12	H	0.979	0.000
276	2	32	VAL	HG13	H	0.979	0.000
277	2	32	VAL	HG21	H	0.930	0.000
278	2	32	VAL	HG22	H	0.930	0.000
279	2	32	VAL	HG23	H	0.930	0.000
280	2	32	VAL	CB	C	34.963	0.000
281	2	32	VAL	CG1	C	22.059	0.000
282	2	32	VAL	CG2	C	19.509	0.000
283	2	32	VAL	N	N	116.124	0.000
284	2	33	HIS	H	H	9.122	0.000
285	2	33	HIS	HA	H	4.986	0.020
286	2	33	HIS	HB2	H	2.893	0.000
287	2	33	HIS	HB3	H	2.893	0.000
288	2	33	HIS	HD2	H	7.242	0.006
289	2	33	HIS	HE1	H	7.683	0.005
290	2	33	HIS	CA	C	56.893	0.000
291	2	33	HIS	CB	C	29.797	0.000
292	2	33	HIS	CD2	C	118.336	0.081
293	2	33	HIS	CE1	C	138.881	0.007
294	2	33	HIS	N	N	118.092	0.000
295	2	34	SER	H	H	8.922	0.003
296	2	34	SER	HA	H	3.707	0.000
297	2	34	SER	HB2	H	3.717	0.003
298	2	34	SER	HB3	H	3.472	0.000
299	2	34	SER	CA	C	62.428	0.000
300	2	34	SER	CB	C	61.778	0.003
301	2	34	SER	N	N	121.815	0.000
302	2	35	LYS	HA	H	4.187	0.000
303	2	35	LYS	HB2	H	1.512	0.003
304	2	35	LYS	HB3	H	1.022	0.000
305	2	35	LYS	HG2	H	1.522	0.000
306	2	35	LYS	HG3	H	1.208	0.000
307	2	35	LYS	HD2	H	1.321	0.000
308	2	35	LYS	HD3	H	1.321	0.000
309	2	35	LYS	HE2	H	2.834	0.000
310	2	35	LYS	HE3	H	2.834	0.000
311	2	35	LYS	CA	C	56.748	0.000
312	2	35	LYS	CB	C	31.845	0.000
313	2	35	LYS	CG	C	27.343	0.023
314	2	35	LYS	CD	C	29.108	0.000
315	2	35	LYS	CE	C	42.148	0.000
316	2	36	CYS	H	H	6.825	0.006
317	2	36	CYS	HA	H	4.214	0.004
318	2	36	CYS	HB2	H	3.277	0.000
319	2	36	CYS	HB3	H	3.193	0.000
320	2	36	CYS	CA	C	62.393	0.000
321	2	36	CYS	CB	C	29.885	0.006
322	2	36	CYS	N	N	119.411	0.026
323	2	37	GLU	H	H	7.401	0.001
324	2	37	GLU	HA	H	4.365	0.000
325	2	37	GLU	HB2	H	2.288	0.000
326	2	37	GLU	HB3	H	1.982	0.000
327	2	37	GLU	HG2	H	2.347	0.000
328	2	37	GLU	HG3	H	2.288	0.000
329	2	37	GLU	CA	C	56.087	0.000
330	2	37	GLU	CB	C	31.034	0.000
331	2	37	GLU	CG	C	37.327	0.005
332	2	37	GLU	N	N	118.316	0.000
333	2	38	ASN	H	H	7.779	0.000
334	2	38	ASN	HA	H	4.300	0.000
335	2	38	ASN	HB2	H	3.186	0.000
336	2	38	ASN	HB3	H	2.811	0.000
337	2	38	ASN	HD21	H	7.742	0.000
338	2	38	ASN	HD22	H	6.975	0.000
339	2	38	ASN	CA	C	54.454	0.000
340	2	38	ASN	CB	C	37.463	0.016
341	2	38	ASN	N	N	113.253	0.000
342	2	38	ASN	ND2	N	112.666	0.017
343	2	39	LEU	H	H	7.836	0.000
344	2	39	LEU	HA	H	4.542	0.000
345	2	39	LEU	HB2	H	1.639	0.000
346	2	39	LEU	HB3	H	1.262	0.000
347	2	39	LEU	HG	H	2.118	0.000
348	2	39	LEU	HD11	H	0.673	0.000
349	2	39	LEU	HD12	H	0.673	0.000
350	2	39	LEU	HD13	H	0.673	0.000
351	2	39	LEU	HD21	H	0.889	0.000
352	2	39	LEU	HD22	H	0.889	0.000
353	2	39	LEU	HD23	H	0.889	0.000
354	2	39	LEU	CA	C	54.304	0.000
355	2	39	LEU	CB	C	44.305	0.021
356	2	39	LEU	CG	C	29.777	0.000
357	2	39	LEU	CD1	C	26.358	0.000
358	2	39	LEU	CD2	C	24.351	0.000
359	2	39	LEU	N	N	117.748	0.000
360	2	40	SER	H	H	9.229	0.000
361	2	40	SER	HA	H	4.349	0.000
362	2	40	SER	HB2	H	4.302	0.000
363	2	40	SER	HB3	H	4.215	0.000
364	2	40	SER	CA	C	57.720	0.000
365	2	40	SER	CB	C	64.040	0.002
366	2	40	SER	N	N	121.977	0.000
367	2	41	ASP	H	H	8.785	0.000
368	2	41	ASP	HA	H	4.408	0.000
369	2	41	ASP	HB2	H	2.770	0.000
370	2	41	ASP	HB3	H	2.655	0.000
371	2	41	ASP	CA	C	57.939	0.000
372	2	41	ASP	CB	C	40.031	0.005
373	2	41	ASP	N	N	121.476	0.000
374	2	42	GLU	H	H	8.423	0.000
375	2	42	GLU	HA	H	4.015	0.000
376	2	42	GLU	HB2	H	2.029	0.000
377	2	42	GLU	HB3	H	1.951	0.000
378	2	42	GLU	HG2	H	2.316	0.000
379	2	42	GLU	HG3	H	2.316	0.000
380	2	42	GLU	CA	C	59.856	0.000
381	2	42	GLU	CB	C	30.274	0.017
382	2	42	GLU	CG	C	36.323	0.000
383	2	42	GLU	N	N	120.228	0.000
384	2	43	MET	H	H	8.348	0.000
385	2	43	MET	HA	H	4.200	0.000
386	2	43	MET	HG2	H	2.761	0.000
387	2	43	MET	HG3	H	2.286	0.000
388	2	43	MET	HE1	H	1.953	0.000
389	2	43	MET	HE2	H	1.953	0.000
390	2	43	MET	HE3	H	1.953	0.000
391	2	43	MET	CA	C	57.353	0.000
392	2	43	MET	CG	C	32.927	0.007
393	2	43	MET	CE	C	18.140	0.000
394	2	43	MET	N	N	119.703	0.000
395	2	44	TYR	H	H	8.983	0.000
396	2	44	TYR	HA	H	3.705	0.000
397	2	44	TYR	HB2	H	3.148	0.000
398	2	44	TYR	HB3	H	2.947	0.000
399	2	44	TYR	HD1	H	6.896	0.005
400	2	44	TYR	HD2	H	6.896	0.005
401	2	44	TYR	HE1	H	6.657	0.003
402	2	44	TYR	HE2	H	6.657	0.003
403	2	44	TYR	CA	C	62.390	0.000
404	2	44	TYR	CB	C	38.116	0.002
405	2	44	TYR	CD1	C	133.016	0.010
406	2	44	TYR	CE1	C	118.080	0.008
407	2	44	TYR	N	N	119.827	0.000
408	2	45	GLU	H	H	7.982	0.000
409	2	45	GLU	HA	H	3.598	0.000
410	2	45	GLU	HB2	H	2.160	0.000
411	2	45	GLU	HB3	H	2.110	0.000
412	2	45	GLU	HG2	H	2.351	0.000
413	2	45	GLU	HG3	H	2.314	0.000
414	2	45	GLU	CA	C	59.598	0.000
415	2	45	GLU	CB	C	29.386	0.001
416	2	45	GLU	CG	C	36.152	0.003
417	2	45	GLU	N	N	120.694	0.000
418	2	46	ILE	H	H	7.364	0.000
419	2	46	ILE	HA	H	3.473	0.000
420	2	46	ILE	HB	H	1.669	0.000
421	2	46	ILE	HG12	H	1.285	0.000
422	2	46	ILE	HG13	H	1.078	0.000
423	2	46	ILE	HG21	H	-0.177	0.006
424	2	46	ILE	HG22	H	-0.177	0.006
425	2	46	ILE	HG23	H	-0.177	0.006
426	2	46	ILE	HD11	H	0.507	0.000
427	2	46	ILE	HD12	H	0.507	0.000
428	2	46	ILE	HD13	H	0.507	0.000
429	2	46	ILE	CA	C	63.498	0.000
430	2	46	ILE	CB	C	37.102	0.000
431	2	46	ILE	CG1	C	28.125	0.012
432	2	46	ILE	CG2	C	16.586	0.000
433	2	46	ILE	CD1	C	12.630	0.000
434	2	46	ILE	N	N	118.181	0.000
435	2	47	LEU	H	H	8.517	0.000
436	2	47	LEU	HA	H	3.847	0.000
437	2	47	LEU	HB2	H	1.495	0.000
438	2	47	LEU	HB3	H	1.266	0.000
439	2	47	LEU	HG	H	1.662	0.000
440	2	47	LEU	HD11	H	0.774	0.000
441	2	47	LEU	HD12	H	0.774	0.000
442	2	47	LEU	HD13	H	0.774	0.000
443	2	47	LEU	HD21	H	0.830	0.000
444	2	47	LEU	HD22	H	0.830	0.000
445	2	47	LEU	HD23	H	0.830	0.000
446	2	47	LEU	CA	C	57.046	0.000
447	2	47	LEU	CB	C	41.804	0.005
448	2	47	LEU	CG	C	26.266	0.000
449	2	47	LEU	CD1	C	27.406	0.000
450	2	47	LEU	CD2	C	22.255	0.000
451	2	47	LEU	N	N	117.877	0.000
452	2	48	SER	H	H	8.028	0.000
453	2	48	SER	HA	H	4.093	0.000
454	2	48	SER	HB2	H	3.788	0.000
455	2	48	SER	HB3	H	3.314	0.000
456	2	48	SER	CA	C	60.146	0.000
457	2	48	SER	CB	C	63.060	0.015
458	2	48	SER	N	N	112.445	0.000
459	2	49	ASN	H	H	7.191	0.000
460	2	49	ASN	HA	H	5.011	0.000
461	2	49	ASN	HB2	H	3.012	0.000
462	2	49	ASN	HB3	H	2.518	0.000
463	2	49	ASN	HD21	H	8.144	0.000
464	2	49	ASN	HD22	H	6.863	0.000
465	2	49	ASN	CA	C	53.534	0.000
466	2	49	ASN	CB	C	41.117	0.001
467	2	49	ASN	N	N	120.108	0.000
468	2	49	ASN	ND2	N	116.478	0.028
469	2	50	LEU	H	H	7.381	0.000
470	2	50	LEU	HA	H	4.598	0.000
471	2	50	LEU	HB2	H	1.911	0.000
472	2	50	LEU	HB3	H	1.589	0.000
473	2	50	LEU	HG	H	2.293	0.000
474	2	50	LEU	HD11	H	1.142	0.000
475	2	50	LEU	HD12	H	1.142	0.000
476	2	50	LEU	HD13	H	1.142	0.000
477	2	50	LEU	HD21	H	1.196	0.000
478	2	50	LEU	HD22	H	1.196	0.000
479	2	50	LEU	HD23	H	1.196	0.000
480	2	50	LEU	CA	C	53.884	0.000
481	2	50	LEU	CB	C	41.321	0.005
482	2	50	LEU	CG	C	26.511	0.000
483	2	50	LEU	CD1	C	26.526	0.000
484	2	50	LEU	CD2	C	23.528	0.000
485	2	50	LEU	N	N	120.247	0.000
486	2	51	PRO	HA	H	4.535	0.000
487	2	51	PRO	HB2	H	2.453	0.000
488	2	51	PRO	HB3	H	2.068	0.000
489	2	51	PRO	HG2	H	2.049	0.000
490	2	51	PRO	HG3	H	1.990	0.000
491	2	51	PRO	HD2	H	3.875	0.000
492	2	51	PRO	HD3	H	3.529	0.000
493	2	51	PRO	CA	C	63.046	0.000
494	2	51	PRO	CB	C	32.489	0.005
495	2	51	PRO	CG	C	27.805	0.022
496	2	51	PRO	CD	C	50.521	0.005
497	2	52	GLU	H	H	8.796	0.000
498	2	52	GLU	HA	H	4.251	0.000
499	2	52	GLU	HB2	H	2.182	0.000
500	2	52	GLU	HB3	H	2.136	0.000
501	2	52	GLU	HG2	H	2.432	0.000
502	2	52	GLU	HG3	H	2.432	0.000
503	2	52	GLU	CA	C	58.672	0.000
504	2	52	GLU	CB	C	29.710	0.015
505	2	52	GLU	CG	C	36.551	0.000
506	2	52	GLU	N	N	118.606	0.000
507	2	53	SER	H	H	7.858	0.000
508	2	53	SER	HA	H	4.323	0.000
509	2	53	SER	HB2	H	4.129	0.000
510	2	53	SER	HB3	H	4.040	0.000
511	2	53	SER	CA	C	59.149	0.000
512	2	53	SER	CB	C	63.437	0.007
513	2	53	SER	N	N	111.543	0.000
514	2	54	VAL	H	H	7.761	0.000
515	2	54	VAL	HA	H	4.861	0.000
516	2	54	VAL	HB	H	2.016	0.000
517	2	54	VAL	HG11	H	0.928	0.000
518	2	54	VAL	HG12	H	0.928	0.000
519	2	54	VAL	HG13	H	0.928	0.000
520	2	54	VAL	HG21	H	1.038	0.000
521	2	54	VAL	HG22	H	1.038	0.000
522	2	54	VAL	HG23	H	1.038	0.000
523	2	54	VAL	CA	C	60.149	0.000
524	2	54	VAL	CB	C	34.418	0.000
525	2	54	VAL	CG1	C	22.564	0.000
526	2	54	VAL	CG2	C	20.805	0.000
527	2	54	VAL	N	N	115.400	0.000
528	2	55	ALA	H	H	8.471	0.000
529	2	55	ALA	HA	H	4.791	0.000
530	2	55	ALA	HB1	H	1.422	0.000
531	2	55	ALA	HB2	H	1.422	0.000
532	2	55	ALA	HB3	H	1.422	0.000
533	2	55	ALA	CA	C	51.280	0.000
534	2	55	ALA	CB	C	23.133	0.000
535	2	55	ALA	N	N	122.589	0.000
536	2	56	TYR	H	H	8.802	0.003
537	2	56	TYR	HA	H	4.621	0.000
538	2	56	TYR	HB2	H	3.028	0.000
539	2	56	TYR	HB3	H	2.846	0.000
540	2	56	TYR	HD1	H	7.043	0.003
541	2	56	TYR	HD2	H	7.043	0.003
542	2	56	TYR	HE1	H	6.787	0.003
543	2	56	TYR	HE2	H	6.787	0.003
544	2	56	TYR	CA	C	57.762	0.000
545	2	56	TYR	CB	C	40.377	0.007
546	2	56	TYR	CD1	C	133.251	0.001
547	2	56	TYR	CE1	C	118.392	0.002
548	2	56	TYR	N	N	122.999	0.000
549	2	57	THR	H	H	6.777	0.000
550	2	57	THR	HA	H	5.073	0.000
551	2	57	THR	HB	H	3.689	0.000
552	2	57	THR	HG21	H	1.121	0.000
553	2	57	THR	HG22	H	1.121	0.000
554	2	57	THR	HG23	H	1.121	0.000
555	2	57	THR	CA	C	60.988	0.000
556	2	57	THR	CB	C	69.937	0.000
557	2	57	THR	CG2	C	22.535	0.000
558	2	57	THR	N	N	123.057	0.000
559	2	58	CYS	H	H	9.765	0.000
560	2	58	CYS	HA	H	4.591	0.000
561	2	58	CYS	HB2	H	3.913	0.000
562	2	58	CYS	HB3	H	2.677	0.000
563	2	58	CYS	CA	C	58.317	0.000
564	2	58	CYS	CB	C	32.117	0.010
565	2	58	CYS	N	N	129.865	0.000
566	2	59	VAL	H	H	9.885	0.000
567	2	59	VAL	HA	H	3.809	0.000
568	2	59	VAL	HB	H	2.236	0.000
569	2	59	VAL	HG11	H	1.150	0.000
570	2	59	VAL	HG12	H	1.150	0.000
571	2	59	VAL	HG13	H	1.150	0.000
572	2	59	VAL	HG21	H	1.046	0.000
573	2	59	VAL	HG22	H	1.046	0.000
574	2	59	VAL	HG23	H	1.046	0.000
575	2	59	VAL	CA	C	66.090	0.000
576	2	59	VAL	CB	C	32.081	0.000
577	2	59	VAL	CG1	C	21.938	0.000
578	2	59	VAL	CG2	C	21.457	0.000
579	2	59	VAL	N	N	120.972	0.000
580	2	60	ASN	H	H	8.782	0.000
581	2	60	ASN	HA	H	4.573	0.000
582	2	60	ASN	HB2	H	2.959	0.000
583	2	60	ASN	HB3	H	2.908	0.000
584	2	60	ASN	HD21	H	7.872	0.000
585	2	60	ASN	HD22	H	6.849	0.000
586	2	60	ASN	CA	C	56.345	0.000
587	2	60	ASN	CB	C	39.382	0.007
588	2	60	ASN	N	N	120.677	0.000
589	2	60	ASN	ND2	N	112.688	0.041
590	2	61	CYS	H	H	8.465	0.000
591	2	61	CYS	HA	H	4.072	0.000
592	2	61	CYS	HB2	H	2.986	0.000
593	2	61	CYS	HB3	H	2.811	0.000
594	2	61	CYS	CA	C	63.809	0.000
595	2	61	CYS	CB	C	30.503	0.001
596	2	61	CYS	N	N	122.139	0.000
597	2	62	THR	H	H	7.910	0.000
598	2	62	THR	HA	H	4.067	0.000
599	2	62	THR	HB	H	4.224	0.000
600	2	62	THR	HG21	H	1.204	0.000
601	2	62	THR	HG22	H	1.204	0.000
602	2	62	THR	HG23	H	1.204	0.000
603	2	62	THR	CA	C	63.645	0.000
604	2	62	THR	CB	C	69.854	0.000
605	2	62	THR	CG2	C	21.472	0.000
606	2	62	THR	N	N	115.343	0.000
607	2	63	GLU	H	H	8.088	0.000
608	2	63	GLU	HA	H	4.292	0.000
609	2	63	GLU	HB2	H	2.110	0.000
610	2	63	GLU	HB3	H	2.008	0.000
611	2	63	GLU	HG2	H	2.326	0.000
612	2	63	GLU	HG3	H	2.251	0.000
613	2	63	GLU	CA	C	56.944	0.000
614	2	63	GLU	CB	C	29.735	0.038
615	2	63	GLU	CG	C	36.422	0.007
616	2	63	GLU	N	N	123.538	0.000
617	2	64	ARG	H	H	7.819	0.000
618	2	64	ARG	HA	H	4.210	0.000
619	2	64	ARG	HB2	H	1.891	0.000
620	2	64	ARG	HB3	H	1.743	0.000
621	2	64	ARG	HG2	H	1.641	0.000
622	2	64	ARG	HG3	H	1.641	0.000
623	2	64	ARG	HD2	H	3.227	0.000
624	2	64	ARG	HD3	H	3.227	0.000
625	2	64	ARG	CA	C	57.608	0.000
626	2	64	ARG	CB	C	31.854	0.030
627	2	64	ARG	CG	C	27.293	0.000
628	2	64	ARG	CD	C	43.699	0.000
629	2	64	ARG	N	N	127.466	0.000

Chemical Shifts 2

¹H: 768, ¹³C: 362, ¹⁵N: 113 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
630	1	1	ALA	HB1	H	1.533	0.020	1
631	1	1	ALA	HB2	H	1.533	0.020	1
632	1	1	ALA	HB3	H	1.533	0.020	1
633	1	1	ALA	CB	C	19.855	0.400	1
634	1	2	GLY	HA2	H	4.005	0.020	2
635	1	2	GLY	HA3	H	4.005	0.020	2
636	1	2	GLY	CA	C	45.293	0.400	1
637	1	3	HIS	HB2	H	3.146	0.020	1
638	1	3	HIS	HB3	H	3.104	0.020	1
639	1	3	HIS	HD2	H	7.055	0.020	1
640	1	3	HIS	HE1	H	7.921	0.020	1
641	1	3	HIS	CB	C	30.955	0.400	1
642	1	3	HIS	CD2	C	120.049	0.400	1
643	1	3	HIS	CE1	C	138.467	0.400	1
644	1	4	MET	HG2	H	2.548	0.020	2
645	1	4	MET	HG3	H	2.481	0.020	2
646	1	4	MET	HE1	H	2.115	0.020	1
647	1	4	MET	HE2	H	2.115	0.020	1
648	1	4	MET	HE3	H	2.115	0.020	1
649	1	4	MET	CG	C	32.033	0.400	1
650	1	4	MET	CE	C	17.084	0.400	1
651	1	5	ALA	H	H	8.432	0.020	1
652	1	5	ALA	HB1	H	1.453	0.020	1
653	1	5	ALA	HB2	H	1.453	0.020	1
654	1	5	ALA	HB3	H	1.453	0.020	1
655	1	5	ALA	CB	C	19.449	0.400	1
656	1	5	ALA	N	N	125.558	0.400	1
657	1	6	THR	H	H	8.124	0.020	1
658	1	6	THR	HA	H	4.431	0.020	1
659	1	6	THR	HB	H	4.338	0.020	1
660	1	6	THR	HG21	H	1.267	0.020	1
661	1	6	THR	HG22	H	1.267	0.020	1
662	1	6	THR	HG23	H	1.267	0.020	1
663	1	6	THR	CA	C	61.865	0.400	1
664	1	6	THR	CB	C	69.910	0.400	1
665	1	6	THR	CG2	C	21.552	0.400	1
666	1	6	THR	N	N	112.900	0.400	1
667	1	7	THR	H	H	8.027	0.020	1
668	1	7	THR	HA	H	4.422	0.020	1
669	1	7	THR	HB	H	4.350	0.020	1
670	1	7	THR	HG21	H	1.306	0.020	1
671	1	7	THR	HG22	H	1.306	0.020	1
672	1	7	THR	HG23	H	1.306	0.020	1
673	1	7	THR	CA	C	63.060	0.400	1
674	1	7	THR	CB	C	70.118	0.400	1
675	1	7	THR	CG2	C	22.234	0.400	1
676	1	7	THR	N	N	114.393	0.400	1
677	1	8	LYS	H	H	8.313	0.020	1
678	1	8	LYS	HB2	H	2.124	0.020	1
679	1	8	LYS	HB3	H	1.868	0.020	1
680	1	8	LYS	HG2	H	1.587	0.020	2
681	1	8	LYS	HG3	H	1.494	0.020	2
682	1	8	LYS	CB	C	31.941	0.400	1
683	1	8	LYS	CG	C	25.075	0.400	1
684	1	8	LYS	N	N	120.270	0.400	1
685	1	9	ARG	HA	H	4.478	0.020	1
686	1	9	ARG	HB2	H	2.230	0.020	2
687	1	9	ARG	HB3	H	1.758	0.020	2
688	1	9	ARG	HD2	H	3.475	0.020	2
689	1	9	ARG	HD3	H	3.234	0.020	2
690	1	9	ARG	CA	C	55.987	0.400	1
691	1	9	ARG	CB	C	32.117	0.400	1
692	1	9	ARG	CD	C	43.721	0.400	1
693	1	11	LEU	H	H	9.666	0.020	1
694	1	11	LEU	HA	H	4.956	0.020	1
695	1	11	LEU	HB2	H	1.324	0.020	1
696	1	11	LEU	HB3	H	1.751	0.020	1
697	1	11	LEU	HG	H	1.872	0.020	1
698	1	11	LEU	HD11	H	0.907	0.020	2
699	1	11	LEU	HD12	H	0.907	0.020	2
700	1	11	LEU	HD13	H	0.907	0.020	2
701	1	11	LEU	HD21	H	0.754	0.020	2
702	1	11	LEU	HD22	H	0.754	0.020	2
703	1	11	LEU	HD23	H	0.754	0.020	2
704	1	11	LEU	CA	C	53.695	0.400	1
705	1	11	LEU	CB	C	43.067	0.400	1
706	1	11	LEU	CG	C	26.888	0.400	1
707	1	11	LEU	CD1	C	26.685	0.400	1
708	1	11	LEU	CD2	C	25.138	0.400	1
709	1	11	LEU	N	N	126.903	0.400	1
710	1	12	TYR	H	H	9.240	0.020	1
711	1	12	TYR	HB2	H	3.012	0.020	1
712	1	12	TYR	HB3	H	2.857	0.020	1
713	1	12	TYR	HD1	H	6.883	0.020	1
714	1	12	TYR	HD2	H	6.883	0.020	1
715	1	12	TYR	HE1	H	6.307	0.020	1
716	1	12	TYR	HE2	H	6.307	0.020	1
717	1	12	TYR	CB	C	40.546	0.400	1
718	1	12	TYR	CD1	C	133.546	0.400	1
719	1	12	TYR	CE1	C	117.907	0.400	1
720	1	12	TYR	N	N	123.762	0.400	1
721	1	13	VAL	H	H	8.058	0.020	1
722	1	13	VAL	HA	H	4.784	0.020	1
723	1	13	VAL	HB	H	1.591	0.020	1
724	1	13	VAL	HG11	H	0.845	0.020	2
725	1	13	VAL	HG12	H	0.845	0.020	2
726	1	13	VAL	HG13	H	0.845	0.020	2
727	1	13	VAL	HG21	H	0.569	0.020	2
728	1	13	VAL	HG22	H	0.569	0.020	2
729	1	13	VAL	HG23	H	0.569	0.020	2
730	1	13	VAL	CA	C	60.093	0.400	1
731	1	13	VAL	CB	C	33.035	0.400	1
732	1	13	VAL	CG1	C	22.345	0.400	1
733	1	13	VAL	CG2	C	21.171	0.400	1
734	1	13	VAL	N	N	127.344	0.400	1
735	1	14	GLY	H	H	9.245	0.020	1
736	1	14	GLY	HA2	H	4.983	0.020	1
737	1	14	GLY	HA3	H	3.654	0.020	1
738	1	14	GLY	CA	C	43.136	0.400	1
739	1	14	GLY	N	N	112.279	0.400	1
740	1	15	GLY	H	H	8.072	0.020	1
741	1	15	GLY	HA2	H	4.462	0.020	1
742	1	15	GLY	HA3	H	3.805	0.020	1
743	1	15	GLY	CA	C	45.980	0.400	1
744	1	15	GLY	N	N	107.504	0.400	1
745	1	16	LEU	H	H	8.128	0.020	1
746	1	16	LEU	HA	H	4.115	0.020	1
747	1	16	LEU	HB2	H	1.163	0.020	2
748	1	16	LEU	HB3	H	0.897	0.020	2
749	1	16	LEU	HG	H	1.321	0.020	1
750	1	16	LEU	HD11	H	0.212	0.020	2
751	1	16	LEU	HD12	H	0.212	0.020	2
752	1	16	LEU	HD13	H	0.212	0.020	2
753	1	16	LEU	HD21	H	0.578	0.020	2
754	1	16	LEU	HD22	H	0.578	0.020	2
755	1	16	LEU	HD23	H	0.578	0.020	2
756	1	16	LEU	CA	C	53.983	0.400	1
757	1	16	LEU	CB	C	42.399	0.400	1
758	1	16	LEU	CG	C	26.171	0.400	1
759	1	16	LEU	CD1	C	25.645	0.400	1
760	1	16	LEU	CD2	C	22.506	0.400	1
761	1	16	LEU	N	N	116.488	0.400	1
762	1	17	ALA	H	H	8.515	0.020	1
763	1	17	ALA	HA	H	4.333	0.020	1
764	1	17	ALA	HB1	H	1.710	0.020	1
765	1	17	ALA	HB2	H	1.710	0.020	1
766	1	17	ALA	HB3	H	1.710	0.020	1
767	1	17	ALA	CA	C	51.593	0.400	1
768	1	17	ALA	CB	C	19.766	0.400	1
769	1	17	ALA	N	N	126.638	0.400	1
770	1	18	GLU	H	H	9.059	0.020	1
771	1	18	GLU	HA	H	3.646	0.020	1
772	1	18	GLU	HB2	H	1.997	0.020	2
773	1	18	GLU	HB3	H	1.892	0.020	2
774	1	18	GLU	HG2	H	2.245	0.020	2
775	1	18	GLU	HG3	H	2.245	0.020	2
776	1	18	GLU	CA	C	60.159	0.400	1
777	1	18	GLU	CB	C	29.707	0.400	1
778	1	18	GLU	CG	C	36.776	0.400	1
779	1	18	GLU	N	N	122.439	0.400	1
780	1	19	GLU	H	H	9.010	0.020	1
781	1	19	GLU	HA	H	4.027	0.020	1
782	1	19	GLU	HB2	H	1.826	0.020	2
783	1	19	GLU	HB3	H	1.560	0.020	2
784	1	19	GLU	HG2	H	2.297	0.020	2
785	1	19	GLU	HG3	H	2.144	0.020	2
786	1	19	GLU	CA	C	58.185	0.400	1
787	1	19	GLU	CB	C	29.186	0.400	1
788	1	19	GLU	CG	C	37.144	0.400	1
789	1	19	GLU	N	N	114.328	0.400	1
790	1	20	VAL	H	H	7.588	0.020	1
791	1	20	VAL	HA	H	3.172	0.020	1
792	1	20	VAL	HB	H	2.135	0.020	1
793	1	20	VAL	HG11	H	0.796	0.020	2
794	1	20	VAL	HG12	H	0.796	0.020	2
795	1	20	VAL	HG13	H	0.796	0.020	2
796	1	20	VAL	HG21	H	0.870	0.020	2
797	1	20	VAL	HG22	H	0.870	0.020	2
798	1	20	VAL	HG23	H	0.870	0.020	2
799	1	20	VAL	CA	C	65.511	0.400	1
800	1	20	VAL	CB	C	30.825	0.400	1
801	1	20	VAL	CG1	C	22.303	0.400	1
802	1	20	VAL	CG2	C	23.290	0.400	1
803	1	20	VAL	N	N	119.129	0.400	1
804	1	21	ASP	H	H	6.803	0.020	1
805	1	21	ASP	HA	H	4.725	0.020	1
806	1	21	ASP	HB2	H	3.236	0.020	2
807	1	21	ASP	HB3	H	2.790	0.020	2
808	1	21	ASP	CA	C	51.648	0.400	1
809	1	21	ASP	CB	C	42.850	0.400	1
810	1	21	ASP	N	N	125.772	0.400	1
811	1	22	ASP	H	H	8.850	0.020	1
812	1	22	ASP	HA	H	3.988	0.020	1
813	1	22	ASP	HB2	H	2.668	0.020	1
814	1	22	ASP	HB3	H	2.625	0.020	1
815	1	22	ASP	CA	C	57.763	0.400	1
816	1	22	ASP	CB	C	39.321	0.400	1
817	1	22	ASP	N	N	115.921	0.400	1
818	1	23	LYS	H	H	7.643	0.020	1
819	1	23	LYS	HA	H	4.137	0.020	1
820	1	23	LYS	HB2	H	1.935	0.020	1
821	1	23	LYS	HB3	H	2.191	0.020	1
822	1	23	LYS	HG2	H	1.589	0.020	1
823	1	23	LYS	HG3	H	1.498	0.020	1
824	1	23	LYS	HD2	H	1.727	0.020	2
825	1	23	LYS	HD3	H	1.727	0.020	2
826	1	23	LYS	HE2	H	3.075	0.020	2
827	1	23	LYS	HE3	H	3.075	0.020	2
828	1	23	LYS	CA	C	59.427	0.400	1
829	1	23	LYS	CB	C	31.573	0.400	1
830	1	23	LYS	CG	C	25.226	0.400	1
831	1	23	LYS	CD	C	28.752	0.400	1
832	1	23	LYS	CE	C	42.146	0.400	1
833	1	23	LYS	N	N	121.306	0.400	1
834	1	24	VAL	H	H	8.304	0.020	1
835	1	24	VAL	HA	H	3.857	0.020	1
836	1	24	VAL	HB	H	2.231	0.020	1
837	1	24	VAL	HG11	H	1.023	0.020	2
838	1	24	VAL	HG12	H	1.023	0.020	2
839	1	24	VAL	HG13	H	1.023	0.020	2
840	1	24	VAL	HG21	H	1.320	0.020	2
841	1	24	VAL	HG22	H	1.320	0.020	2
842	1	24	VAL	HG23	H	1.320	0.020	2
843	1	24	VAL	CA	C	66.069	0.400	1
844	1	24	VAL	CB	C	32.542	0.400	1
845	1	24	VAL	CG1	C	22.567	0.400	1
846	1	24	VAL	CG2	C	22.531	0.400	1
847	1	24	VAL	N	N	122.215	0.400	1
848	1	25	LEU	H	H	8.035	0.020	1
849	1	25	LEU	HA	H	4.119	0.020	1
850	1	25	LEU	HB2	H	1.865	0.020	1
851	1	25	LEU	HB3	H	1.251	0.020	1
852	1	25	LEU	HG	H	1.595	0.020	1
853	1	25	LEU	HD11	H	0.451	0.020	2
854	1	25	LEU	HD12	H	0.451	0.020	2
855	1	25	LEU	HD13	H	0.451	0.020	2
856	1	25	LEU	HD21	H	0.670	0.020	2
857	1	25	LEU	HD22	H	0.670	0.020	2
858	1	25	LEU	HD23	H	0.670	0.020	2
859	1	25	LEU	CA	C	58.235	0.400	1
860	1	25	LEU	CB	C	42.646	0.400	1
861	1	25	LEU	CG	C	26.473	0.400	1
862	1	25	LEU	CD1	C	26.039	0.400	1
863	1	25	LEU	CD2	C	23.435	0.400	1
864	1	25	LEU	N	N	118.429	0.400	1
865	1	26	HIS	H	H	8.662	0.020	1
866	1	26	HIS	HA	H	3.880	0.020	1
867	1	26	HIS	HB2	H	3.279	0.020	1
868	1	26	HIS	HB3	H	3.193	0.020	1
869	1	26	HIS	HD2	H	6.935	0.020	1
870	1	26	HIS	HE1	H	7.913	0.020	1
871	1	26	HIS	CA	C	61.988	0.400	1
872	1	26	HIS	CB	C	30.600	0.400	1
873	1	26	HIS	CD2	C	118.771	0.400	1
874	1	26	HIS	CE1	C	138.061	0.400	1
875	1	26	HIS	N	N	119.113	0.400	1
876	1	27	ALA	H	H	7.836	0.020	1
877	1	27	ALA	HA	H	4.179	0.020	1
878	1	27	ALA	HB1	H	1.621	0.020	1
879	1	27	ALA	HB2	H	1.621	0.020	1
880	1	27	ALA	HB3	H	1.621	0.020	1
881	1	27	ALA	CA	C	54.916	0.400	1
882	1	27	ALA	CB	C	18.310	0.400	1
883	1	27	ALA	N	N	117.748	0.400	1
884	1	28	ALA	H	H	7.965	0.020	1
885	1	28	ALA	HA	H	4.206	0.020	1
886	1	28	ALA	HB1	H	1.394	0.020	1
887	1	28	ALA	HB2	H	1.394	0.020	1
888	1	28	ALA	HB3	H	1.394	0.020	1
889	1	28	ALA	CA	C	53.736	0.400	1
890	1	28	ALA	CB	C	18.826	0.400	1
891	1	28	ALA	N	N	117.210	0.400	1
892	1	29	PHE	H	H	7.876	0.020	1
893	1	29	PHE	HA	H	5.026	0.020	1
894	1	29	PHE	HB2	H	2.935	0.020	1
895	1	29	PHE	HB3	H	3.481	0.020	1
896	1	29	PHE	HD1	H	7.769	0.020	1
897	1	29	PHE	HD2	H	7.769	0.020	1
898	1	29	PHE	HE1	H	6.958	0.020	1
899	1	29	PHE	HE2	H	6.958	0.020	1
900	1	29	PHE	HZ	H	6.969	0.020	1
901	1	29	PHE	CA	C	60.494	0.400	1
902	1	29	PHE	CB	C	40.663	0.400	1
903	1	29	PHE	CD1	C	131.850	0.400	1
904	1	29	PHE	CE1	C	130.290	0.400	1
905	1	29	PHE	CZ	C	128.839	0.400	1
906	1	29	PHE	N	N	112.151	0.400	1
907	1	30	ILE	H	H	8.625	0.020	1
908	1	30	ILE	HA	H	4.753	0.020	1
909	1	30	ILE	HB	H	1.667	0.020	1
910	1	30	ILE	HG12	H	1.479	0.020	2
911	1	30	ILE	HG13	H	1.382	0.020	2
912	1	30	ILE	HG21	H	0.996	0.020	1
913	1	30	ILE	HG22	H	0.996	0.020	1
914	1	30	ILE	HG23	H	0.996	0.020	1
915	1	30	ILE	HD11	H	1.138	0.020	1
916	1	30	ILE	HD12	H	1.138	0.020	1
917	1	30	ILE	HD13	H	1.138	0.020	1
918	1	30	ILE	CA	C	60.946	0.400	1
919	1	30	ILE	CB	C	38.528	0.400	1
920	1	30	ILE	CG1	C	29.735	0.400	1
921	1	30	ILE	CG2	C	19.535	0.400	1
922	1	30	ILE	CD1	C	14.639	0.400	1
923	1	30	ILE	N	N	123.335	0.400	1
924	1	31	PRO	HA	H	4.172	0.020	1
925	1	31	PRO	HB2	H	0.446	0.020	1
926	1	31	PRO	HB3	H	1.983	0.020	1
927	1	31	PRO	HG2	H	1.691	0.020	2
928	1	31	PRO	HG3	H	1.691	0.020	2
929	1	31	PRO	HD2	H	2.987	0.020	1
930	1	31	PRO	HD3	H	3.829	0.020	1
931	1	31	PRO	CA	C	65.480	0.400	1
932	1	31	PRO	CB	C	30.862	0.400	1
933	1	31	PRO	CG	C	28.305	0.400	1
934	1	31	PRO	CD	C	52.273	0.400	1
935	1	32	PHE	H	H	7.600	0.020	1
936	1	32	PHE	HA	H	4.242	0.020	1
937	1	32	PHE	HB2	H	3.344	0.020	1
938	1	32	PHE	HB3	H	3.057	0.020	1
939	1	32	PHE	HD1	H	7.256	0.020	1
940	1	32	PHE	HD2	H	7.256	0.020	1
941	1	32	PHE	HE1	H	7.596	0.020	1
942	1	32	PHE	HE2	H	7.596	0.020	1
943	1	32	PHE	HZ	H	7.396	0.020	1
944	1	32	PHE	CA	C	59.648	0.400	1
945	1	32	PHE	CB	C	38.914	0.400	1
946	1	32	PHE	CD1	C	131.408	0.400	1
947	1	32	PHE	CE1	C	131.592	0.400	1
948	1	32	PHE	CZ	C	131.717	0.400	1
949	1	32	PHE	N	N	112.112	0.400	1
950	1	33	GLY	H	H	7.636	0.020	1
951	1	33	GLY	HA2	H	5.026	0.020	1
952	1	33	GLY	HA3	H	3.816	0.020	1
953	1	33	GLY	CA	C	44.501	0.400	1
954	1	33	GLY	N	N	106.128	0.400	1
955	1	34	ASP	H	H	8.033	0.020	1
956	1	34	ASP	HA	H	4.539	0.020	1
957	1	34	ASP	HB2	H	2.655	0.020	2
958	1	34	ASP	HB3	H	2.655	0.020	2
959	1	34	ASP	CA	C	56.528	0.400	1
960	1	34	ASP	CB	C	41.196	0.400	1
961	1	34	ASP	N	N	114.552	0.400	1
962	1	35	ILE	H	H	7.488	0.020	1
963	1	35	ILE	HA	H	4.191	0.020	1
964	1	35	ILE	HB	H	1.441	0.020	1
965	1	35	ILE	HG12	H	-0.139	0.020	1
966	1	35	ILE	HG13	H	1.684	0.020	1
967	1	35	ILE	HG21	H	0.717	0.020	1
968	1	35	ILE	HG22	H	0.717	0.020	1
969	1	35	ILE	HG23	H	0.717	0.020	1
970	1	35	ILE	HD11	H	0.423	0.020	1
971	1	35	ILE	HD12	H	0.423	0.020	1
972	1	35	ILE	HD13	H	0.423	0.020	1
973	1	35	ILE	CA	C	60.727	0.400	1
974	1	35	ILE	CB	C	41.790	0.400	1
975	1	35	ILE	CG1	C	27.668	0.400	1
976	1	35	ILE	CG2	C	17.268	0.400	1
977	1	35	ILE	CD1	C	14.578	0.400	1
978	1	35	ILE	N	N	124.590	0.400	1
979	1	36	THR	H	H	8.993	0.020	1
980	1	36	THR	HA	H	4.352	0.020	1
981	1	36	THR	HB	H	4.104	0.020	1
982	1	36	THR	HG21	H	1.124	0.020	1
983	1	36	THR	HG22	H	1.124	0.020	1
984	1	36	THR	HG23	H	1.124	0.020	1
985	1	36	THR	CA	C	62.877	0.400	1
986	1	36	THR	CB	C	68.908	0.400	1
987	1	36	THR	CG2	C	22.685	0.400	1
988	1	36	THR	N	N	120.841	0.400	1
989	1	37	ASP	H	H	7.613	0.020	1
990	1	37	ASP	HA	H	4.893	0.020	1
991	1	37	ASP	HB2	H	2.799	0.020	1
992	1	37	ASP	HB3	H	2.378	0.020	1
993	1	37	ASP	CA	C	54.900	0.400	1
994	1	37	ASP	CB	C	44.272	0.400	1
995	1	37	ASP	N	N	120.601	0.400	1
996	1	38	ILE	H	H	8.176	0.020	1
997	1	38	ILE	HA	H	4.684	0.020	1
998	1	38	ILE	HB	H	1.763	0.020	1
999	1	38	ILE	HG12	H	1.751	0.020	1
1000	1	38	ILE	HG13	H	0.954	0.020	1
1001	1	38	ILE	HG21	H	0.742	0.020	1
1002	1	38	ILE	HG22	H	0.742	0.020	1
1003	1	38	ILE	HG23	H	0.742	0.020	1
1004	1	38	ILE	HD11	H	0.987	0.020	1
1005	1	38	ILE	HD12	H	0.987	0.020	1
1006	1	38	ILE	HD13	H	0.987	0.020	1
1007	1	38	ILE	CA	C	61.695	0.400	1
1008	1	38	ILE	CB	C	41.630	0.400	1
1009	1	38	ILE	CG1	C	28.795	0.400	1
1010	1	38	ILE	CG2	C	17.098	0.400	1
1011	1	38	ILE	CD1	C	13.843	0.400	1
1012	1	38	ILE	N	N	123.428	0.400	1
1013	1	39	GLN	H	H	9.106	0.020	1
1014	1	39	GLN	HA	H	4.656	0.020	1
1015	1	39	GLN	HB2	H	2.681	0.020	2
1016	1	39	GLN	HB3	H	2.303	0.020	2
1017	1	39	GLN	HG2	H	2.293	0.020	2
1018	1	39	GLN	HG3	H	2.293	0.020	2
1019	1	39	GLN	HE21	H	8.765	0.020	2
1020	1	39	GLN	HE22	H	7.364	0.020	2
1021	1	39	GLN	CA	C	53.903	0.400	1
1022	1	39	GLN	CB	C	30.875	0.400	1
1023	1	39	GLN	CG	C	33.635	0.400	1
1024	1	39	GLN	N	N	125.669	0.400	1
1025	1	39	GLN	NE2	N	114.830	0.400	1
1026	1	40	ILE	H	H	9.020	0.020	1
1027	1	40	ILE	HB	H	1.874	0.020	1
1028	1	40	ILE	HG12	H	0.575	0.020	1
1029	1	40	ILE	HG13	H	1.371	0.020	1
1030	1	40	ILE	HG21	H	0.714	0.020	1
1031	1	40	ILE	HG22	H	0.714	0.020	1
1032	1	40	ILE	HG23	H	0.714	0.020	1
1033	1	40	ILE	HD11	H	0.626	0.020	1
1034	1	40	ILE	HD12	H	0.626	0.020	1
1035	1	40	ILE	HD13	H	0.626	0.020	1
1036	1	40	ILE	CB	C	38.478	0.400	1
1037	1	40	ILE	CG1	C	26.573	0.400	1
1038	1	40	ILE	CG2	C	17.912	0.400	1
1039	1	40	ILE	CD1	C	13.203	0.400	1
1040	1	40	ILE	N	N	123.894	0.400	1
1041	1	41	PRO	HA	H	4.437	0.020	1
1042	1	41	PRO	HB2	H	2.232	0.020	1
1043	1	41	PRO	HB3	H	1.608	0.020	1
1044	1	41	PRO	HG2	H	2.006	0.020	2
1045	1	41	PRO	HG3	H	2.006	0.020	2
1046	1	41	PRO	HD2	H	3.934	0.020	1
1047	1	41	PRO	HD3	H	3.384	0.020	1
1048	1	41	PRO	CA	C	58.582	0.400	1
1049	1	41	PRO	CB	C	32.721	0.400	1
1050	1	41	PRO	CG	C	28.380	0.400	1
1051	1	41	PRO	CD	C	50.498	0.400	1
1052	1	42	LEU	H	H	8.064	0.020	1
1053	1	42	LEU	HA	H	4.504	0.020	1
1054	1	42	LEU	HB2	H	1.442	0.020	2
1055	1	42	LEU	HB3	H	0.861	0.020	2
1056	1	42	LEU	HG	H	1.588	0.020	1
1057	1	42	LEU	HD11	H	0.768	0.020	2
1058	1	42	LEU	HD12	H	0.768	0.020	2
1059	1	42	LEU	HD13	H	0.768	0.020	2
1060	1	42	LEU	HD21	H	0.571	0.020	2
1061	1	42	LEU	HD22	H	0.571	0.020	2
1062	1	42	LEU	HD23	H	0.571	0.020	2
1063	1	42	LEU	CA	C	53.513	0.400	1
1064	1	42	LEU	CB	C	45.196	0.400	1
1065	1	42	LEU	CG	C	26.472	0.400	1
1066	1	42	LEU	CD1	C	25.329	0.400	1
1067	1	42	LEU	CD2	C	23.102	0.400	1
1068	1	42	LEU	N	N	121.273	0.400	1
1069	1	43	ASP	H	H	8.333	0.020	1
1070	1	43	ASP	HA	H	4.496	0.020	1
1071	1	43	ASP	HB2	H	2.450	0.020	1
1072	1	43	ASP	HB3	H	3.371	0.020	1
1073	1	43	ASP	CA	C	53.416	0.400	1
1074	1	43	ASP	CB	C	42.913	0.400	1
1075	1	43	ASP	N	N	122.066	0.400	1
1076	1	44	TYR	H	H	8.677	0.020	1
1077	1	44	TYR	HA	H	4.134	0.020	1
1078	1	44	TYR	HB2	H	3.173	0.020	2
1079	1	44	TYR	HB3	H	2.970	0.020	2
1080	1	44	TYR	HD1	H	7.147	0.020	1
1081	1	44	TYR	HD2	H	7.147	0.020	1
1082	1	44	TYR	HE1	H	6.746	0.020	1
1083	1	44	TYR	HE2	H	6.746	0.020	1
1084	1	44	TYR	CA	C	61.292	0.400	1
1085	1	44	TYR	CB	C	38.088	0.400	1
1086	1	44	TYR	CD1	C	132.698	0.400	1
1087	1	44	TYR	CE1	C	118.161	0.400	1
1088	1	44	TYR	N	N	125.720	0.400	1
1089	1	45	GLU	H	H	8.830	0.020	1
1090	1	45	GLU	HA	H	4.311	0.020	1
1091	1	45	GLU	HB2	H	2.230	0.020	1
1092	1	45	GLU	HB3	H	2.167	0.020	1
1093	1	45	GLU	HG2	H	2.223	0.020	1
1094	1	45	GLU	HG3	H	2.373	0.020	1
1095	1	45	GLU	CA	C	58.915	0.400	1
1096	1	45	GLU	CB	C	30.242	0.400	1
1097	1	45	GLU	CG	C	36.785	0.400	1
1098	1	45	GLU	N	N	118.633	0.400	1
1099	1	46	THR	H	H	7.753	0.020	1
1100	1	46	THR	HA	H	4.320	0.020	1
1101	1	46	THR	HB	H	4.254	0.020	1
1102	1	46	THR	HG21	H	1.193	0.020	1
1103	1	46	THR	HG22	H	1.193	0.020	1
1104	1	46	THR	HG23	H	1.193	0.020	1
1105	1	46	THR	CA	C	61.751	0.400	1
1106	1	46	THR	CB	C	70.578	0.400	1
1107	1	46	THR	CG2	C	21.894	0.400	1
1108	1	46	THR	N	N	107.053	0.400	1
1109	1	47	GLU	H	H	8.486	0.020	1
1110	1	47	GLU	HA	H	3.594	0.020	1
1111	1	47	GLU	HB2	H	2.245	0.020	2
1112	1	47	GLU	HB3	H	2.245	0.020	2
1113	1	47	GLU	HG2	H	2.122	0.020	2
1114	1	47	GLU	HG3	H	2.122	0.020	2
1115	1	47	GLU	CA	C	58.220	0.400	1
1116	1	47	GLU	CB	C	27.353	0.400	1
1117	1	47	GLU	CG	C	37.542	0.400	1
1118	1	47	GLU	N	N	116.609	0.400	1
1119	1	48	LYS	H	H	7.708	0.020	1
1120	1	48	LYS	HA	H	4.704	0.020	1
1121	1	48	LYS	HB2	H	1.817	0.020	1
1122	1	48	LYS	HB3	H	1.579	0.020	1
1123	1	48	LYS	HG2	H	1.342	0.020	1
1124	1	48	LYS	HG3	H	1.412	0.020	1
1125	1	48	LYS	HD2	H	1.639	0.020	1
1126	1	48	LYS	HD3	H	1.548	0.020	1
1127	1	48	LYS	HE2	H	2.961	0.020	2
1128	1	48	LYS	HE3	H	2.961	0.020	2
1129	1	48	LYS	CA	C	54.113	0.400	1
1130	1	48	LYS	CB	C	36.370	0.400	1
1131	1	48	LYS	CG	C	24.821	0.400	1
1132	1	48	LYS	CD	C	29.177	0.400	1
1133	1	48	LYS	CE	C	42.537	0.400	1
1134	1	48	LYS	N	N	117.313	0.400	1
1135	1	49	HIS	H	H	7.937	0.020	1
1136	1	49	HIS	HA	H	4.930	0.020	1
1137	1	49	HIS	HB2	H	3.570	0.020	1
1138	1	49	HIS	HB3	H	2.759	0.020	1
1139	1	49	HIS	HD2	H	7.123	0.020	1
1140	1	49	HIS	HE1	H	7.271	0.020	1
1141	1	49	HIS	CA	C	55.608	0.400	1
1142	1	49	HIS	CB	C	31.196	0.400	1
1143	1	49	HIS	CD2	C	118.821	0.400	1
1144	1	49	HIS	CE1	C	139.408	0.400	1
1145	1	49	HIS	N	N	117.930	0.400	1
1146	1	50	ARG	H	H	9.226	0.020	1
1147	1	50	ARG	HB2	H	2.441	0.020	2
1148	1	50	ARG	HB3	H	1.579	0.020	2
1149	1	50	ARG	HG2	H	1.606	0.020	1
1150	1	50	ARG	HG3	H	1.652	0.020	1
1151	1	50	ARG	HD2	H	3.337	0.020	2
1152	1	50	ARG	HD3	H	3.170	0.020	2
1153	1	50	ARG	CB	C	30.668	0.400	1
1154	1	50	ARG	CG	C	28.022	0.400	1
1155	1	50	ARG	CD	C	43.471	0.400	1
1156	1	50	ARG	N	N	120.361	0.400	1
1157	1	51	GLY	H	H	11.201	0.020	1
1158	1	51	GLY	HA2	H	4.042	0.020	1
1159	1	51	GLY	HA3	H	4.517	0.020	1
1160	1	51	GLY	CA	C	45.803	0.400	1
1161	1	51	GLY	N	N	113.174	0.400	1
1162	1	52	PHE	H	H	6.846	0.020	1
1163	1	52	PHE	HA	H	5.713	0.020	1
1164	1	52	PHE	HB2	H	2.984	0.020	1
1165	1	52	PHE	HB3	H	2.570	0.020	1
1166	1	52	PHE	HD1	H	6.768	0.020	1
1167	1	52	PHE	HD2	H	6.768	0.020	1
1168	1	52	PHE	HE1	H	7.271	0.020	1
1169	1	52	PHE	HE2	H	7.271	0.020	1
1170	1	52	PHE	HZ	H	7.120	0.020	1
1171	1	52	PHE	CA	C	54.630	0.400	1
1172	1	52	PHE	CB	C	42.282	0.400	1
1173	1	52	PHE	CD1	C	132.830	0.400	1
1174	1	52	PHE	CE1	C	130.796	0.400	1
1175	1	52	PHE	CZ	C	128.335	0.400	1
1176	1	52	PHE	N	N	113.574	0.400	1
1177	1	53	ALA	H	H	8.525	0.020	1
1178	1	53	ALA	HA	H	4.267	0.020	1
1179	1	53	ALA	HB1	H	0.899	0.020	1
1180	1	53	ALA	HB2	H	0.899	0.020	1
1181	1	53	ALA	HB3	H	0.899	0.020	1
1182	1	53	ALA	CA	C	49.933	0.400	1
1183	1	53	ALA	CB	C	25.811	0.400	1
1184	1	53	ALA	N	N	119.951	0.400	1
1185	1	54	PHE	H	H	8.705	0.020	1
1186	1	54	PHE	HA	H	5.958	0.020	1
1187	1	54	PHE	HB2	H	2.810	0.020	1
1188	1	54	PHE	HB3	H	2.608	0.020	1
1189	1	54	PHE	HD1	H	7.150	0.020	1
1190	1	54	PHE	HD2	H	7.150	0.020	1
1191	1	54	PHE	HE1	H	7.418	0.020	1
1192	1	54	PHE	HE2	H	7.418	0.020	1
1193	1	54	PHE	CA	C	55.935	0.400	1
1194	1	54	PHE	CB	C	42.485	0.400	1
1195	1	54	PHE	CD1	C	132.432	0.400	1
1196	1	54	PHE	CE1	C	130.731	0.400	1
1197	1	54	PHE	N	N	113.934	0.400	1
1198	1	55	VAL	H	H	8.568	0.020	1
1199	1	55	VAL	HA	H	4.329	0.020	1
1200	1	55	VAL	HB	H	1.361	0.020	1
1201	1	55	VAL	HG11	H	0.298	0.020	2
1202	1	55	VAL	HG12	H	0.298	0.020	2
1203	1	55	VAL	HG13	H	0.298	0.020	2
1204	1	55	VAL	HG21	H	0.332	0.020	2
1205	1	55	VAL	HG22	H	0.332	0.020	2
1206	1	55	VAL	HG23	H	0.332	0.020	2
1207	1	55	VAL	CA	C	61.237	0.400	1
1208	1	55	VAL	CB	C	35.218	0.400	1
1209	1	55	VAL	CG1	C	21.096	0.400	1
1210	1	55	VAL	CG2	C	20.586	0.400	1
1211	1	55	VAL	N	N	122.222	0.400	1
1212	1	56	GLU	H	H	9.128	0.020	1
1213	1	56	GLU	HA	H	5.255	0.020	1
1214	1	56	GLU	HB2	H	1.677	0.020	1
1215	1	56	GLU	HB3	H	2.094	0.020	1
1216	1	56	GLU	HG2	H	1.898	0.020	1
1217	1	56	GLU	HG3	H	2.083	0.020	1
1218	1	56	GLU	CA	C	54.362	0.400	1
1219	1	56	GLU	CB	C	34.014	0.400	1
1220	1	56	GLU	CG	C	36.632	0.400	1
1221	1	56	GLU	N	N	129.630	0.400	1
1222	1	57	PHE	H	H	8.395	0.020	1
1223	1	57	PHE	HA	H	4.900	0.020	1
1224	1	57	PHE	HB2	H	2.675	0.020	1
1225	1	57	PHE	HB3	H	3.793	0.020	1
1226	1	57	PHE	HD1	H	7.226	0.020	1
1227	1	57	PHE	HD2	H	7.226	0.020	1
1228	1	57	PHE	HE1	H	7.646	0.020	1
1229	1	57	PHE	HE2	H	7.646	0.020	1
1230	1	57	PHE	CA	C	58.209	0.400	1
1231	1	57	PHE	CB	C	41.655	0.400	1
1232	1	57	PHE	CD1	C	129.617	0.400	1
1233	1	57	PHE	CE1	C	129.237	0.400	1
1234	1	57	PHE	N	N	126.286	0.400	1
1235	1	58	GLU	H	H	8.183	0.020	1
1236	1	58	GLU	HA	H	4.012	0.020	1
1237	1	58	GLU	HB2	H	2.342	0.020	1
1238	1	58	GLU	HB3	H	2.026	0.020	1
1239	1	58	GLU	HG2	H	2.274	0.020	2
1240	1	58	GLU	HG3	H	2.274	0.020	2
1241	1	58	GLU	CA	C	59.953	0.400	1
1242	1	58	GLU	CB	C	30.037	0.400	1
1243	1	58	GLU	CG	C	36.332	0.400	1
1244	1	58	GLU	N	N	121.072	0.400	1
1245	1	59	LEU	H	H	9.370	0.020	1
1246	1	59	LEU	HA	H	4.922	0.020	1
1247	1	59	LEU	HB2	H	1.914	0.020	1
1248	1	59	LEU	HB3	H	1.696	0.020	1
1249	1	59	LEU	HG	H	1.786	0.020	1
1250	1	59	LEU	HD11	H	1.105	0.020	2
1251	1	59	LEU	HD12	H	1.105	0.020	2
1252	1	59	LEU	HD13	H	1.105	0.020	2
1253	1	59	LEU	HD21	H	1.033	0.020	2
1254	1	59	LEU	HD22	H	1.033	0.020	2
1255	1	59	LEU	HD23	H	1.033	0.020	2
1256	1	59	LEU	CA	C	53.048	0.400	1
1257	1	59	LEU	CB	C	43.189	0.400	1
1258	1	59	LEU	CG	C	26.991	0.400	1
1259	1	59	LEU	CD1	C	25.347	0.400	1
1260	1	59	LEU	CD2	C	23.301	0.400	1
1261	1	59	LEU	N	N	116.469	0.400	1
1262	1	60	ALA	H	H	9.083	0.020	1
1263	1	60	ALA	HA	H	4.042	0.020	1
1264	1	60	ALA	HB1	H	1.472	0.020	1
1265	1	60	ALA	HB2	H	1.472	0.020	1
1266	1	60	ALA	HB3	H	1.472	0.020	1
1267	1	60	ALA	CA	C	55.402	0.400	1
1268	1	60	ALA	CB	C	18.715	0.400	1
1269	1	60	ALA	N	N	127.278	0.400	1
1270	1	61	GLU	H	H	9.973	0.020	1
1271	1	61	GLU	HA	H	4.124	0.020	1
1272	1	61	GLU	HB2	H	2.085	0.020	2
1273	1	61	GLU	HB3	H	2.085	0.020	2
1274	1	61	GLU	HG2	H	2.492	0.020	2
1275	1	61	GLU	HG3	H	2.391	0.020	2
1276	1	61	GLU	CA	C	59.876	0.400	1
1277	1	61	GLU	CB	C	28.746	0.400	1
1278	1	61	GLU	CG	C	36.795	0.400	1
1279	1	61	GLU	N	N	118.354	0.400	1
1280	1	62	ASP	H	H	6.886	0.020	1
1281	1	62	ASP	HA	H	4.503	0.020	1
1282	1	62	ASP	HB2	H	2.977	0.020	1
1283	1	62	ASP	HB3	H	2.655	0.020	1
1284	1	62	ASP	CA	C	56.635	0.400	1
1285	1	62	ASP	CB	C	40.017	0.400	1
1286	1	62	ASP	N	N	123.927	0.400	1
1287	1	63	ALA	H	H	7.047	0.020	1
1288	1	63	ALA	HA	H	3.248	0.020	1
1289	1	63	ALA	HB1	H	1.458	0.020	1
1290	1	63	ALA	HB2	H	1.458	0.020	1
1291	1	63	ALA	HB3	H	1.458	0.020	1
1292	1	63	ALA	CA	C	54.718	0.400	1
1293	1	63	ALA	CB	C	17.346	0.400	1
1294	1	63	ALA	N	N	121.744	0.400	1
1295	1	64	ALA	H	H	7.776	0.020	1
1296	1	64	ALA	HA	H	3.938	0.020	1
1297	1	64	ALA	HB1	H	1.485	0.020	1
1298	1	64	ALA	HB2	H	1.485	0.020	1
1299	1	64	ALA	HB3	H	1.485	0.020	1
1300	1	64	ALA	CA	C	55.134	0.400	1
1301	1	64	ALA	CB	C	17.939	0.400	1
1302	1	64	ALA	N	N	117.500	0.400	1
1303	1	65	ALA	H	H	7.376	0.020	1
1304	1	65	ALA	HA	H	4.159	0.020	1
1305	1	65	ALA	HB1	H	1.692	0.020	1
1306	1	65	ALA	HB2	H	1.692	0.020	1
1307	1	65	ALA	HB3	H	1.692	0.020	1
1308	1	65	ALA	CA	C	54.851	0.400	1
1309	1	65	ALA	CB	C	18.266	0.400	1
1310	1	65	ALA	N	N	121.273	0.400	1
1311	1	66	ALA	H	H	7.937	0.020	1
1312	1	66	ALA	HA	H	2.517	0.020	1
1313	1	66	ALA	HB1	H	1.236	0.020	1
1314	1	66	ALA	HB2	H	1.236	0.020	1
1315	1	66	ALA	HB3	H	1.236	0.020	1
1316	1	66	ALA	CA	C	54.837	0.400	1
1317	1	66	ALA	CB	C	19.130	0.400	1
1318	1	66	ALA	N	N	122.034	0.400	1
1319	1	67	ILE	H	H	7.845	0.020	1
1320	1	67	ILE	HA	H	3.283	0.020	1
1321	1	67	ILE	HB	H	1.896	0.020	1
1322	1	67	ILE	HG12	H	1.930	0.020	2
1323	1	67	ILE	HG13	H	0.571	0.020	2
1324	1	67	ILE	HG21	H	0.990	0.020	1
1325	1	67	ILE	HG22	H	0.990	0.020	1
1326	1	67	ILE	HG23	H	0.990	0.020	1
1327	1	67	ILE	HD11	H	0.861	0.020	1
1328	1	67	ILE	HD12	H	0.861	0.020	1
1329	1	67	ILE	HD13	H	0.861	0.020	1
1330	1	67	ILE	CA	C	66.717	0.400	1
1331	1	67	ILE	CB	C	38.543	0.400	1
1332	1	67	ILE	CG1	C	30.371	0.400	1
1333	1	67	ILE	CG2	C	17.456	0.400	1
1334	1	67	ILE	CD1	C	14.291	0.400	1
1335	1	67	ILE	N	N	118.587	0.400	1
1336	1	68	ASP	H	H	7.425	0.020	1
1337	1	68	ASP	HA	H	4.349	0.020	1
1338	1	68	ASP	HB2	H	2.669	0.020	2
1339	1	68	ASP	HB3	H	2.669	0.020	2
1340	1	68	ASP	CA	C	57.228	0.400	1
1341	1	68	ASP	CB	C	41.012	0.400	1
1342	1	68	ASP	N	N	116.593	0.400	1
1343	1	69	ASN	H	H	7.443	0.020	1
1344	1	69	ASN	HA	H	4.671	0.020	1
1345	1	69	ASN	HB2	H	2.369	0.020	1
1346	1	69	ASN	HB3	H	2.600	0.020	1
1347	1	69	ASN	HD21	H	7.501	0.020	1
1348	1	69	ASN	CA	C	55.501	0.400	1
1349	1	69	ASN	CB	C	42.533	0.400	1
1350	1	69	ASN	N	N	112.740	0.400	1
1351	1	69	ASN	ND2	N	115.339	0.400	1
1352	1	70	MET	H	H	8.292	0.020	1
1353	1	70	MET	HA	H	4.920	0.020	1
1354	1	70	MET	HB2	H	1.753	0.020	1
1355	1	70	MET	HB3	H	2.157	0.020	1
1356	1	70	MET	HG2	H	1.884	0.020	1
1357	1	70	MET	HG3	H	2.048	0.020	1
1358	1	70	MET	HE1	H	1.435	0.020	1
1359	1	70	MET	HE2	H	1.435	0.020	1
1360	1	70	MET	HE3	H	1.435	0.020	1
1361	1	70	MET	CA	C	53.844	0.400	1
1362	1	70	MET	CB	C	33.049	0.400	1
1363	1	70	MET	CG	C	33.583	0.400	1
1364	1	70	MET	CE	C	16.763	0.400	1
1365	1	70	MET	N	N	113.697	0.400	1
1366	1	71	ASN	H	H	8.222	0.020	1
1367	1	71	ASN	HA	H	4.436	0.020	1
1368	1	71	ASN	HB2	H	3.321	0.020	1
1369	1	71	ASN	HB3	H	3.024	0.020	1
1370	1	71	ASN	HD21	H	7.135	0.020	1
1371	1	71	ASN	HD22	H	7.964	0.020	1
1372	1	71	ASN	CA	C	57.029	0.400	1
1373	1	71	ASN	CB	C	38.897	0.400	1
1374	1	71	ASN	N	N	119.547	0.400	1
1375	1	71	ASN	ND2	N	116.134	0.400	1
1376	1	72	GLU	H	H	8.672	0.020	1
1377	1	72	GLU	HA	H	4.026	0.020	1
1378	1	72	GLU	HB2	H	2.378	0.020	2
1379	1	72	GLU	HB3	H	2.266	0.020	2
1380	1	72	GLU	HG2	H	2.333	0.020	2
1381	1	72	GLU	HG3	H	2.203	0.020	2
1382	1	72	GLU	CA	C	59.031	0.400	1
1383	1	72	GLU	CB	C	26.777	0.400	1
1384	1	72	GLU	CG	C	37.271	0.400	1
1385	1	72	GLU	N	N	121.426	0.400	1
1386	1	73	SER	H	H	7.701	0.020	1
1387	1	73	SER	HA	H	4.659	0.020	1
1388	1	73	SER	HB2	H	4.129	0.020	2
1389	1	73	SER	HB3	H	3.888	0.020	2
1390	1	73	SER	CA	C	58.142	0.400	1
1391	1	73	SER	CB	C	65.115	0.400	1
1392	1	73	SER	N	N	114.993	0.400	1
1393	1	74	GLU	H	H	8.293	0.020	1
1394	1	74	GLU	HA	H	5.050	0.020	1
1395	1	74	GLU	HB2	H	1.842	0.020	1
1396	1	74	GLU	HB3	H	1.885	0.020	1
1397	1	74	GLU	HG2	H	1.955	0.020	1
1398	1	74	GLU	HG3	H	2.134	0.020	1
1399	1	74	GLU	CA	C	55.449	0.400	1
1400	1	74	GLU	CB	C	32.131	0.400	1
1401	1	74	GLU	CG	C	36.772	0.400	1
1402	1	74	GLU	N	N	117.814	0.400	1
1403	1	75	LEU	H	H	9.063	0.020	1
1404	1	75	LEU	HA	H	4.638	0.020	1
1405	1	75	LEU	HB2	H	1.793	0.020	1
1406	1	75	LEU	HB3	H	1.417	0.020	1
1407	1	75	LEU	HG	H	1.771	0.020	1
1408	1	75	LEU	HD11	H	0.896	0.020	2
1409	1	75	LEU	HD12	H	0.896	0.020	2
1410	1	75	LEU	HD13	H	0.896	0.020	2
1411	1	75	LEU	HD21	H	0.767	0.020	2
1412	1	75	LEU	HD22	H	0.767	0.020	2
1413	1	75	LEU	HD23	H	0.767	0.020	2
1414	1	75	LEU	CA	C	54.734	0.400	1
1415	1	75	LEU	CB	C	45.162	0.400	1
1416	1	75	LEU	CG	C	26.788	0.400	1
1417	1	75	LEU	CD1	C	23.732	0.400	1
1418	1	75	LEU	CD2	C	25.229	0.400	1
1419	1	75	LEU	N	N	126.638	0.400	1
1420	1	76	PHE	H	H	9.827	0.020	1
1421	1	76	PHE	HA	H	4.002	0.020	1
1422	1	76	PHE	HB2	H	2.787	0.020	1
1423	1	76	PHE	HB3	H	3.560	0.020	1
1424	1	76	PHE	HD1	H	7.171	0.020	1
1425	1	76	PHE	HD2	H	7.171	0.020	1
1426	1	76	PHE	HE1	H	7.335	0.020	1
1427	1	76	PHE	HE2	H	7.335	0.020	1
1428	1	76	PHE	CA	C	59.557	0.400	1
1429	1	76	PHE	CB	C	37.225	0.400	1
1430	1	76	PHE	CD1	C	131.042	0.400	1
1431	1	76	PHE	CE1	C	131.639	0.400	1
1432	1	76	PHE	N	N	128.806	0.400	1
1433	1	77	GLY	H	H	8.717	0.020	1
1434	1	77	GLY	HA2	H	3.710	0.020	1
1435	1	77	GLY	HA3	H	4.117	0.020	1
1436	1	77	GLY	CA	C	45.887	0.400	1
1437	1	77	GLY	N	N	102.139	0.400	1
1438	1	78	ARG	H	H	7.615	0.020	1
1439	1	78	ARG	HA	H	4.850	0.020	1
1440	1	78	ARG	HB2	H	2.131	0.020	2
1441	1	78	ARG	HB3	H	1.890	0.020	2
1442	1	78	ARG	HG2	H	1.771	0.020	2
1443	1	78	ARG	HG3	H	1.771	0.020	2
1444	1	78	ARG	HD2	H	3.231	0.020	2
1445	1	78	ARG	HD3	H	3.231	0.020	2
1446	1	78	ARG	CA	C	53.821	0.400	1
1447	1	78	ARG	CB	C	33.171	0.400	1
1448	1	78	ARG	CG	C	26.788	0.400	1
1449	1	78	ARG	CD	C	43.224	0.400	1
1450	1	78	ARG	N	N	119.078	0.400	1
1451	1	79	THR	H	H	8.403	0.020	1
1452	1	79	THR	HA	H	4.664	0.020	1
1453	1	79	THR	HB	H	3.951	0.020	1
1454	1	79	THR	HG21	H	1.170	0.020	1
1455	1	79	THR	HG22	H	1.170	0.020	1
1456	1	79	THR	HG23	H	1.170	0.020	1
1457	1	79	THR	CA	C	63.127	0.400	1
1458	1	79	THR	CB	C	69.556	0.400	1
1459	1	79	THR	CG2	C	22.061	0.400	1
1460	1	79	THR	N	N	118.781	0.400	1
1461	1	80	ILE	H	H	8.833	0.020	1
1462	1	80	ILE	HA	H	5.188	0.020	1
1463	1	80	ILE	HB	H	2.005	0.020	1
1464	1	80	ILE	HG21	H	0.889	0.020	1
1465	1	80	ILE	HG22	H	0.889	0.020	1
1466	1	80	ILE	HG23	H	0.889	0.020	1
1467	1	80	ILE	HD11	H	0.701	0.020	1
1468	1	80	ILE	HD12	H	0.701	0.020	1
1469	1	80	ILE	HD13	H	0.701	0.020	1
1470	1	80	ILE	CA	C	60.097	0.400	1
1471	1	80	ILE	CB	C	40.744	0.400	1
1472	1	80	ILE	CG2	C	19.140	0.400	1
1473	1	80	ILE	CD1	C	14.377	0.400	1
1474	1	80	ILE	N	N	121.610	0.400	1
1475	1	81	ARG	H	H	8.242	0.020	1
1476	1	81	ARG	HA	H	5.062	0.020	1
1477	1	81	ARG	HB2	H	1.884	0.020	1
1478	1	81	ARG	HB3	H	1.743	0.020	1
1479	1	81	ARG	HG2	H	1.700	0.020	1
1480	1	81	ARG	HG3	H	1.740	0.020	1
1481	1	81	ARG	HD2	H	3.341	0.020	1
1482	1	81	ARG	HD3	H	3.305	0.020	1
1483	1	81	ARG	CA	C	53.728	0.400	1
1484	1	81	ARG	CB	C	32.590	0.400	1
1485	1	81	ARG	CG	C	27.291	0.400	1
1486	1	81	ARG	CD	C	43.093	0.400	1
1487	1	81	ARG	N	N	122.029	0.400	1
1488	1	82	VAL	H	H	8.995	0.020	1
1489	1	82	VAL	HA	H	5.505	0.020	1
1490	1	82	VAL	HB	H	1.857	0.020	1
1491	1	82	VAL	HG11	H	1.069	0.020	2
1492	1	82	VAL	HG12	H	1.069	0.020	2
1493	1	82	VAL	HG13	H	1.069	0.020	2
1494	1	82	VAL	HG21	H	1.092	0.020	2
1495	1	82	VAL	HG22	H	1.092	0.020	2
1496	1	82	VAL	HG23	H	1.092	0.020	2
1497	1	82	VAL	CA	C	60.376	0.400	1
1498	1	82	VAL	CB	C	35.452	0.400	1
1499	1	82	VAL	CG1	C	24.464	0.400	1
1500	1	82	VAL	CG2	C	22.617	0.400	1
1501	1	82	VAL	N	N	122.983	0.400	1
1502	1	83	ASN	H	H	8.961	0.020	1
1503	1	83	ASN	HA	H	4.846	0.020	1
1504	1	83	ASN	HB2	H	3.009	0.020	1
1505	1	83	ASN	HB3	H	2.842	0.020	1
1506	1	83	ASN	HD21	H	7.171	0.020	2
1507	1	83	ASN	HD22	H	6.529	0.020	2
1508	1	83	ASN	CA	C	52.053	0.400	1
1509	1	83	ASN	CB	C	42.474	0.400	1
1510	1	83	ASN	N	N	120.171	0.400	1
1511	1	83	ASN	ND2	N	111.135	0.400	1
1512	1	84	LEU	H	H	8.925	0.020	1
1513	1	84	LEU	HA	H	4.478	0.020	1
1514	1	84	LEU	HB2	H	1.567	0.020	1
1515	1	84	LEU	HB3	H	1.695	0.020	1
1516	1	84	LEU	HG	H	1.698	0.020	1
1517	1	84	LEU	HD11	H	0.823	0.020	2
1518	1	84	LEU	HD12	H	0.823	0.020	2
1519	1	84	LEU	HD13	H	0.823	0.020	2
1520	1	84	LEU	HD21	H	0.981	0.020	2
1521	1	84	LEU	HD22	H	0.981	0.020	2
1522	1	84	LEU	HD23	H	0.981	0.020	2
1523	1	84	LEU	CA	C	56.477	0.400	1
1524	1	84	LEU	CB	C	42.218	0.400	1
1525	1	84	LEU	CG	C	26.883	0.400	1
1526	1	84	LEU	CD1	C	23.273	0.400	1
1527	1	84	LEU	CD2	C	25.346	0.400	1
1528	1	84	LEU	N	N	121.815	0.400	1
1529	1	85	ALA	H	H	8.959	0.020	1
1530	1	85	ALA	HA	H	4.408	0.020	1
1531	1	85	ALA	HB1	H	1.478	0.020	1
1532	1	85	ALA	HB2	H	1.478	0.020	1
1533	1	85	ALA	HB3	H	1.478	0.020	1
1534	1	85	ALA	CA	C	52.947	0.400	1
1535	1	85	ALA	CB	C	20.464	0.400	1
1536	1	85	ALA	N	N	126.967	0.400	1
1537	1	86	LYS	H	H	8.382	0.020	1
1538	1	86	LYS	HG2	H	1.292	0.020	2
1539	1	86	LYS	HG3	H	1.243	0.020	2
1540	1	86	LYS	HD2	H	1.413	0.020	2
1541	1	86	LYS	HD3	H	1.413	0.020	2
1542	1	86	LYS	CG	C	24.794	0.400	1
1543	1	86	LYS	CD	C	29.201	0.400	1
1544	1	86	LYS	N	N	119.987	0.400	1
1545	1	87	PRO	HG2	H	2.022	0.020	2
1546	1	87	PRO	HG3	H	1.967	0.020	2
1547	1	87	PRO	HD2	H	3.640	0.020	1
1548	1	87	PRO	HD3	H	3.757	0.020	1
1549	1	87	PRO	CG	C	27.381	0.400	1
1550	1	87	PRO	CD	C	50.499	0.400	1
1551	1	88	MET	HB2	H	2.628	0.020	2
1552	1	88	MET	HB3	H	2.412	0.020	2
1553	1	88	MET	HG2	H	1.793	0.020	2
1554	1	88	MET	HG3	H	1.637	0.020	2
1555	1	88	MET	HE1	H	1.787	0.020	1
1556	1	88	MET	HE2	H	1.787	0.020	1
1557	1	88	MET	HE3	H	1.787	0.020	1
1558	1	88	MET	CB	C	32.462	0.400	1
1559	1	88	MET	CG	C	33.811	0.400	1
1560	1	88	MET	CE	C	17.090	0.400	1
1561	1	89	ARG	H	H	8.181	0.020	1
1562	1	89	ARG	HA	H	4.382	0.020	1
1563	1	89	ARG	HB2	H	1.768	0.020	2
1564	1	89	ARG	HB3	H	1.671	0.020	2
1565	1	89	ARG	HG2	H	1.578	0.020	2
1566	1	89	ARG	HG3	H	1.521	0.020	2
1567	1	89	ARG	HD2	H	3.185	0.020	2
1568	1	89	ARG	HD3	H	3.185	0.020	2
1569	1	89	ARG	CA	C	55.822	0.400	1
1570	1	89	ARG	CB	C	31.058	0.400	1
1571	1	89	ARG	CG	C	27.186	0.400	1
1572	1	89	ARG	CD	C	43.479	0.400	1
1573	1	89	ARG	N	N	119.791	0.400	1
1574	1	90	ILE	H	H	8.172	0.020	1
1575	1	90	ILE	HA	H	4.165	0.020	1
1576	1	90	ILE	HB	H	1.850	0.020	1
1577	1	90	ILE	HG12	H	1.147	0.020	1
1578	1	90	ILE	HG13	H	1.434	0.020	1
1579	1	90	ILE	HG21	H	0.874	0.020	1
1580	1	90	ILE	HG22	H	0.874	0.020	1
1581	1	90	ILE	HG23	H	0.874	0.020	1
1582	1	90	ILE	HD11	H	0.822	0.020	1
1583	1	90	ILE	HD12	H	0.822	0.020	1
1584	1	90	ILE	HD13	H	0.822	0.020	1
1585	1	90	ILE	CA	C	61.005	0.400	1
1586	1	90	ILE	CB	C	38.761	0.400	1
1587	1	90	ILE	CG1	C	27.397	0.400	1
1588	1	90	ILE	CG2	C	17.692	0.400	1
1589	1	90	ILE	CD1	C	12.945	0.400	1
1590	1	90	ILE	N	N	122.525	0.400	1
1591	1	91	LYS	H	H	8.396	0.020	1
1592	1	91	LYS	HA	H	4.324	0.020	1
1593	1	91	LYS	HB2	H	1.848	0.020	2
1594	1	91	LYS	HB3	H	1.779	0.020	2
1595	1	91	LYS	HG2	H	1.470	0.020	2
1596	1	91	LYS	HG3	H	1.470	0.020	2
1597	1	91	LYS	HD2	H	1.592	0.020	2
1598	1	91	LYS	HD3	H	1.592	0.020	2
1599	1	91	LYS	HE2	H	3.030	0.020	2
1600	1	91	LYS	HE3	H	3.030	0.020	2
1601	1	91	LYS	CA	C	56.512	0.400	1
1602	1	91	LYS	CB	C	33.252	0.400	1
1603	1	91	LYS	CG	C	24.825	0.400	1
1604	1	91	LYS	CD	C	29.105	0.400	1
1605	1	91	LYS	CE	C	42.238	0.400	1
1606	1	91	LYS	N	N	125.701	0.400	1
1607	1	92	GLU	H	H	8.472	0.020	1
1608	1	92	GLU	HA	H	4.311	0.020	1
1609	1	92	GLU	HG2	H	2.342	0.020	2
1610	1	92	GLU	HG3	H	2.342	0.020	2
1611	1	92	GLU	CA	C	56.892	0.400	1
1612	1	92	GLU	CG	C	36.565	0.400	1
1613	1	92	GLU	N	N	122.710	0.400	1
1614	1	93	GLY	H	H	8.484	0.020	1
1615	1	93	GLY	HA2	H	4.077	0.020	2
1616	1	93	GLY	HA3	H	4.077	0.020	2
1617	1	93	GLY	CA	C	45.596	0.400	1
1618	1	93	GLY	N	N	110.481	0.400	1
1619	1	94	SER	H	H	8.150	0.020	1
1620	1	94	SER	HA	H	4.561	0.020	1
1621	1	94	SER	HB2	H	3.938	0.020	2
1622	1	94	SER	HB3	H	3.938	0.020	2
1623	1	94	SER	CA	C	58.396	0.400	1
1624	1	94	SER	CB	C	64.123	0.400	1
1625	1	94	SER	N	N	115.305	0.400	1
1626	1	95	SER	H	H	8.177	0.020	1
1627	1	95	SER	HA	H	4.522	0.020	1
1628	1	95	SER	HB2	H	3.911	0.020	2
1629	1	95	SER	HB3	H	3.911	0.020	2
1630	1	95	SER	CA	C	58.472	0.400	1
1631	1	95	SER	CB	C	64.010	0.400	1
1632	1	95	SER	N	N	115.359	0.400	1
1633	1	96	ARG	H	H	8.181	0.020	1
1634	1	96	ARG	HA	H	4.595	0.020	1
1635	1	96	ARG	HB2	H	1.809	0.020	2
1636	1	96	ARG	HB3	H	1.691	0.020	2
1637	1	96	ARG	HG2	H	1.629	0.020	2
1638	1	96	ARG	HG3	H	1.629	0.020	2
1639	1	96	ARG	HD2	H	3.163	0.020	2
1640	1	96	ARG	HD3	H	3.163	0.020	2
1641	1	96	ARG	CA	C	54.070	0.400	1
1642	1	96	ARG	CB	C	30.464	0.400	1
1643	1	96	ARG	CG	C	26.865	0.400	1
1644	1	96	ARG	CD	C	43.499	0.400	1
1645	1	96	ARG	N	N	122.999	0.400	1
1646	1	97	PRO	HA	H	4.334	0.020	1
1647	1	97	PRO	HB2	H	1.960	0.020	1
1648	1	97	PRO	HB3	H	1.393	0.020	1
1649	1	97	PRO	HG2	H	1.863	0.020	2
1650	1	97	PRO	HG3	H	1.843	0.020	2
1651	1	97	PRO	HD2	H	3.733	0.020	1
1652	1	97	PRO	HD3	H	3.510	0.020	1
1653	1	97	PRO	CA	C	62.910	0.400	1
1654	1	97	PRO	CB	C	31.851	0.400	1
1655	1	97	PRO	CG	C	27.441	0.400	1
1656	1	97	PRO	CD	C	50.590	0.400	1
1657	1	98	VAL	H	H	8.035	0.020	1
1658	1	98	VAL	HA	H	4.032	0.020	1
1659	1	98	VAL	HB	H	1.977	0.020	1
1660	1	98	VAL	HG11	H	0.859	0.020	2
1661	1	98	VAL	HG12	H	0.859	0.020	2
1662	1	98	VAL	HG13	H	0.859	0.020	2
1663	1	98	VAL	HG21	H	0.843	0.020	2
1664	1	98	VAL	HG22	H	0.843	0.020	2
1665	1	98	VAL	HG23	H	0.843	0.020	2
1666	1	98	VAL	CA	C	62.457	0.400	1
1667	1	98	VAL	CB	C	32.726	0.400	1
1668	1	98	VAL	CG1	C	20.444	0.400	1
1669	1	98	VAL	CG2	C	21.225	0.400	1
1670	1	98	VAL	N	N	119.184	0.400	1
1671	1	99	TRP	H	H	7.811	0.020	1
1672	1	99	TRP	HB2	H	3.180	0.020	2
1673	1	99	TRP	HB3	H	3.180	0.020	2
1674	1	99	TRP	HD1	H	7.149	0.020	1
1675	1	99	TRP	HE1	H	10.108	0.020	1
1676	1	99	TRP	HE3	H	7.092	0.020	1
1677	1	99	TRP	HZ2	H	7.406	0.020	1
1678	1	99	TRP	HZ3	H	7.006	0.020	1
1679	1	99	TRP	HH2	H	7.430	0.020	1
1680	1	99	TRP	CB	C	29.851	0.400	1
1681	1	99	TRP	CD1	C	127.143	0.400	1
1682	1	99	TRP	CE3	C	124.564	0.400	1
1683	1	99	TRP	CZ2	C	114.608	0.400	1
1684	1	99	TRP	CZ3	C	121.904	0.400	1
1685	1	99	TRP	CH2	C	120.867	0.400	1
1686	1	99	TRP	N	N	122.553	0.400	1
1687	1	99	TRP	NE1	N	129.462	0.400	1
1688	1	100	SER	H	H	8.039	0.020	1
1689	1	100	SER	HA	H	4.455	0.020	1
1690	1	100	SER	HB2	H	3.874	0.020	2
1691	1	100	SER	HB3	H	3.711	0.020	2
1692	1	100	SER	CA	C	58.047	0.400	1
1693	1	100	SER	CB	C	64.397	0.400	1
1694	1	100	SER	N	N	117.056	0.400	1
1695	1	101	ASP	H	H	8.227	0.020	1
1696	1	101	ASP	HA	H	4.616	0.020	1
1697	1	101	ASP	HB2	H	2.769	0.020	1
1698	1	101	ASP	HB3	H	2.660	0.020	1
1699	1	101	ASP	CA	C	55.036	0.400	1
1700	1	101	ASP	CB	C	41.382	0.400	1
1701	1	101	ASP	N	N	122.528	0.400	1
1702	1	102	ASP	H	H	8.236	0.020	1
1703	1	102	ASP	HA	H	4.380	0.020	1
1704	1	102	ASP	CA	C	55.541	0.400	1
1705	1	102	ASP	N	N	120.091	0.400	1
1706	1	103	ASP	H	H	8.194	0.020	1
1707	1	103	ASP	HB2	H	2.630	0.020	2
1708	1	103	ASP	HB3	H	2.630	0.020	2
1709	1	103	ASP	CB	C	41.258	0.400	1
1710	1	103	ASP	N	N	119.975	0.400	1
1711	1	104	TRP	H	H	8.038	0.020	1
1712	1	104	TRP	HA	H	4.381	0.020	1
1713	1	104	TRP	HB2	H	3.361	0.020	2
1714	1	104	TRP	HB3	H	3.361	0.020	2
1715	1	104	TRP	HD1	H	7.304	0.020	1
1716	1	104	TRP	HE1	H	10.088	0.020	1
1717	1	104	TRP	HE3	H	7.125	0.020	1
1718	1	104	TRP	HZ2	H	7.356	0.020	1
1719	1	104	TRP	HZ3	H	6.996	0.020	1
1720	1	104	TRP	HH2	H	7.506	0.020	1
1721	1	104	TRP	CA	C	59.706	0.400	1
1722	1	104	TRP	CB	C	29.140	0.400	1
1723	1	104	TRP	CD1	C	127.223	0.400	1
1724	1	104	TRP	CE3	C	124.554	0.400	1
1725	1	104	TRP	CZ2	C	114.661	0.400	1
1726	1	104	TRP	CZ3	C	121.928	0.400	1
1727	1	104	TRP	CH2	C	120.812	0.400	1
1728	1	104	TRP	N	N	120.979	0.400	1
1729	1	104	TRP	NE1	N	129.427	0.400	1
1730	1	105	LEU	H	H	7.842	0.020	1
1731	1	105	LEU	HA	H	4.011	0.020	1
1732	1	105	LEU	HB2	H	1.598	0.020	2
1733	1	105	LEU	HB3	H	1.522	0.020	2
1734	1	105	LEU	HG	H	1.433	0.020	1
1735	1	105	LEU	HD11	H	0.883	0.020	2
1736	1	105	LEU	HD12	H	0.883	0.020	2
1737	1	105	LEU	HD13	H	0.883	0.020	2
1738	1	105	LEU	HD21	H	0.809	0.020	2
1739	1	105	LEU	HD22	H	0.809	0.020	2
1740	1	105	LEU	HD23	H	0.809	0.020	2
1741	1	105	LEU	CA	C	56.839	0.400	1
1742	1	105	LEU	CB	C	42.000	0.400	1
1743	1	105	LEU	CG	C	27.083	0.400	1
1744	1	105	LEU	CD1	C	25.076	0.400	1
1745	1	105	LEU	CD2	C	23.822	0.400	1
1746	1	105	LEU	N	N	119.503	0.400	1
1747	1	106	LYS	H	H	7.805	0.020	1
1748	1	106	LYS	HA	H	4.113	0.020	1
1749	1	106	LYS	HB2	H	1.832	0.020	2
1750	1	106	LYS	HB3	H	1.832	0.020	2
1751	1	106	LYS	HG2	H	1.489	0.020	2
1752	1	106	LYS	HG3	H	1.401	0.020	2
1753	1	106	LYS	HD2	H	1.675	0.020	2
1754	1	106	LYS	HD3	H	1.675	0.020	2
1755	1	106	LYS	HE2	H	3.022	0.020	2
1756	1	106	LYS	HE3	H	3.022	0.020	2
1757	1	106	LYS	CA	C	57.922	0.400	1
1758	1	106	LYS	CB	C	32.640	0.400	1
1759	1	106	LYS	CG	C	25.257	0.400	1
1760	1	106	LYS	CD	C	29.196	0.400	1
1761	1	106	LYS	CE	C	42.304	0.400	1
1762	1	106	LYS	N	N	119.138	0.400	1
1763	1	107	LYS	H	H	7.745	0.020	1
1764	1	107	LYS	HA	H	4.108	0.020	1
1765	1	107	LYS	HB2	H	1.563	0.020	2
1766	1	107	LYS	HB3	H	1.512	0.020	2
1767	1	107	LYS	HG2	H	1.209	0.020	1
1768	1	107	LYS	HG3	H	1.119	0.020	1
1769	1	107	LYS	HD2	H	1.487	0.020	2
1770	1	107	LYS	HD3	H	1.487	0.020	2
1771	1	107	LYS	CA	C	57.506	0.400	1
1772	1	107	LYS	CB	C	32.788	0.400	1
1773	1	107	LYS	CG	C	24.781	0.400	1
1774	1	107	LYS	CD	C	29.100	0.400	1
1775	1	107	LYS	N	N	119.338	0.400	1
1776	1	108	PHE	H	H	7.945	0.020	1
1777	1	108	PHE	HA	H	4.606	0.020	1
1778	1	108	PHE	HB2	H	2.708	0.020	1
1779	1	108	PHE	HB3	H	3.090	0.020	1
1780	1	108	PHE	HD1	H	7.123	0.020	1
1781	1	108	PHE	HD2	H	7.123	0.020	1
1782	1	108	PHE	HE1	H	7.194	0.020	1
1783	1	108	PHE	HE2	H	7.194	0.020	1
1784	1	108	PHE	HZ	H	7.331	0.020	1
1785	1	108	PHE	CA	C	58.075	0.400	1
1786	1	108	PHE	CB	C	39.421	0.400	1
1787	1	108	PHE	CD1	C	131.981	0.400	1
1788	1	108	PHE	CE1	C	131.331	0.400	1
1789	1	108	PHE	CZ	C	129.817	0.400	1
1790	1	108	PHE	N	N	118.737	0.400	1
1791	1	109	SER	H	H	7.973	0.020	1
1792	1	109	SER	HA	H	4.433	0.020	1
1793	1	109	SER	CA	C	58.844	0.400	1
1794	1	109	SER	N	N	116.098	0.400	1
1795	1	110	GLY	H	H	8.225	0.020	1
1796	1	110	GLY	HA2	H	3.978	0.020	2
1797	1	110	GLY	HA3	H	3.978	0.020	2
1798	1	110	GLY	CA	C	45.579	0.400	1
1799	1	110	GLY	N	N	110.307	0.400	1
1800	1	111	LYS	H	H	8.121	0.020	1
1801	1	111	LYS	HB2	H	2.088	0.020	2
1802	1	111	LYS	HB3	H	2.000	0.020	2
1803	1	111	LYS	HG2	H	1.468	0.020	2
1804	1	111	LYS	HG3	H	1.429	0.020	2
1805	1	111	LYS	HD2	H	1.745	0.020	2
1806	1	111	LYS	HD3	H	1.699	0.020	2
1807	1	111	LYS	CB	C	33.132	0.400	1
1808	1	111	LYS	CG	C	24.792	0.400	1
1809	1	111	LYS	CD	C	29.232	0.400	1
1810	1	111	LYS	N	N	120.504	0.400	1
1811	1	112	THR	H	H	8.254	0.020	1
1812	1	112	THR	HB	H	4.244	0.020	1
1813	1	112	THR	HG21	H	1.241	0.020	1
1814	1	112	THR	HG22	H	1.241	0.020	1
1815	1	112	THR	HG23	H	1.241	0.020	1
1816	1	112	THR	CB	C	69.931	0.400	1
1817	1	112	THR	CG2	C	21.845	0.400	1
1818	1	112	THR	N	N	115.550	0.400	1
1819	1	113	LEU	H	H	8.262	0.020	1
1820	1	113	LEU	HA	H	4.365	0.020	1
1821	1	113	LEU	HB2	H	1.679	0.020	2
1822	1	113	LEU	HB3	H	1.648	0.020	2
1823	1	113	LEU	HG	H	1.644	0.020	1
1824	1	113	LEU	HD11	H	0.949	0.020	2
1825	1	113	LEU	HD12	H	0.949	0.020	2
1826	1	113	LEU	HD13	H	0.949	0.020	2
1827	1	113	LEU	HD21	H	0.949	0.020	2
1828	1	113	LEU	HD22	H	0.949	0.020	2
1829	1	113	LEU	HD23	H	0.949	0.020	2
1830	1	113	LEU	CA	C	62.058	0.400	1
1831	1	113	LEU	CB	C	42.423	0.400	1
1832	1	113	LEU	CG	C	27.340	0.400	1
1833	1	113	LEU	CD1	C	25.008	0.400	1
1834	1	113	LEU	N	N	124.307	0.400	1
1835	1	114	GLU	H	H	8.331	0.020	1
1836	1	114	GLU	HB2	H	2.077	0.020	2
1837	1	114	GLU	HB3	H	1.962	0.020	2
1838	1	114	GLU	HG2	H	2.324	0.020	2
1839	1	114	GLU	HG3	H	2.324	0.020	2
1840	1	114	GLU	CB	C	30.468	0.400	1
1841	1	114	GLU	CG	C	36.485	0.400	1
1842	1	114	GLU	N	N	121.641	0.400	1
1843	1	115	GLU	H	H	8.332	0.020	1
1844	1	115	GLU	HA	H	4.310	0.020	1
1845	1	115	GLU	HB2	H	2.079	0.020	2
1846	1	115	GLU	HB3	H	2.079	0.020	2
1847	1	115	GLU	HG2	H	2.299	0.020	2
1848	1	115	GLU	HG3	H	2.299	0.020	2
1849	1	115	GLU	CA	C	56.749	0.400	1
1850	1	115	GLU	CB	C	30.521	0.400	1
1851	1	115	GLU	CG	C	36.412	0.400	1
1852	1	115	GLU	N	N	121.371	0.400	1
1853	1	116	ASN	H	H	8.436	0.020	1
1854	1	116	ASN	HA	H	4.667	0.020	1
1855	1	116	ASN	HB2	H	2.888	0.020	2
1856	1	116	ASN	HB3	H	2.764	0.020	2
1857	1	116	ASN	HD21	H	7.560	0.020	2
1858	1	116	ASN	HD22	H	6.794	0.020	2
1859	1	116	ASN	CA	C	56.508	0.400	1
1860	1	116	ASN	CB	C	39.040	0.400	1
1861	1	116	ASN	N	N	120.228	0.400	1
1862	1	116	ASN	ND2	N	112.799	0.400	1
1863	1	117	LYS	H	H	7.827	0.020	1
1864	1	117	LYS	HA	H	4.207	0.020	1
1865	1	117	LYS	HB2	H	1.862	0.020	2
1866	1	117	LYS	HB3	H	1.739	0.020	2
1867	1	117	LYS	HD2	H	1.686	0.020	2
1868	1	117	LYS	HD3	H	1.686	0.020	2
1869	1	117	LYS	CA	C	57.725	0.400	1
1870	1	117	LYS	CB	C	33.922	0.400	1
1871	1	117	LYS	CD	C	29.220	0.400	1
1872	1	117	LYS	N	N	126.682	0.400	1

Release date

2022-04-05

Citation

RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription
Blatter, M., Meylan, C., Clery, A., Giambruno, R., Nikolaev, Y., Heidecker, M., Solanki, J.A., Diaz, M.O., Gabellini, D., Allain, F.H.
Sci. Adv. (2023), 9, eadf5330-eadf5330, PubMed 37075125 , DOI 10.1126/sciadv.adf5330 , Abstract

Related entities 1. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 1, : 3 : 9 entities Detail

Related entities 2. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 2, : 1 : 3 : 3 : 141 entities Detail

Interaction partners 2. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 2, : 40 interactors Detail

More details for 40 interactors identified by 18 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 15N]	1 mM
2	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 15N]	1 mM
3	sodium chloride	natural abundance	40 mM
4	sodium phosphate	natural abundance	40 mM
5	zinc chloride	natural abundance	50 uM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 13C; U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
7	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
8	sodium chloride	natural abundance	40 mM
9	sodium phosphate	natural abundance	40 mM
10	zinc chloride	natural abundance	50 uM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
7	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
8	sodium chloride	natural abundance	40 mM
9	sodium phosphate	natural abundance	40 mM
10	zinc chloride	natural abundance	50 uM

4 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 15N]	1 mM
2	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 15N]	1 mM
3	sodium chloride	natural abundance	40 mM
4	sodium phosphate	natural abundance	40 mM
5	zinc chloride	natural abundance	50 uM

5 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
6	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
7	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
8	sodium chloride	natural abundance	40 mM
9	sodium phosphate	natural abundance	40 mM
10	zinc chloride	natural abundance	50 uM

6 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
6	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
7	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
8	sodium chloride	natural abundance	40 mM
9	sodium phosphate	natural abundance	40 mM
10	zinc chloride	natural abundance	50 uM

7 3D F3-FILTERED- F2-EDITED 13C NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

8 3D F3-FILTERED- F2-EDITED 13C NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 13C; U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

9 2D F2- FILTERED NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

10 2D F2- FILTERED NOESY

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

11 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

12 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

13 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

14 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

16 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

17 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
16	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	natural abundance	1 mM
17	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	[U-100% 13C; U-100% 15N]	1 mM
18	sodium chloride	natural abundance	40 mM
19	sodium phosphate	natural abundance	40 mM
20	zinc chloride	natural abundance	50 uM

18 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E	[U-100% 13C; U-100% 15N]	1 mM
12	HISTONE-LYSINE N-METHYLTRANSFERASE 2A	natural abundance	1 mM
13	sodium chloride	natural abundance	40 mM
14	sodium phosphate	natural abundance	40 mM
15	zinc chloride	natural abundance	50 uM

nullKeywords EPIGENETIC, H3K4me3, HISTONE 3, MLL1 Transcription regulation, RNA BINDING PROTEIN-STRUCTURAL PROTEIN COMPLEX, RRM, TRANSCRIPTION, infant leukemia

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Found 1 Document (1.771 seconds)

BMRB: 34727

Related entities 1. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 1, : 3 : 9 entities Detail

Related entities 2. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 2, : 1 : 3 : 3 : 141 entities Detail

Interaction partners 2. Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, entity 2, : 40 interactors Detail

Experiments performed 18 experiments Detail

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