BMRBj - BMREntryMaster

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BMRB: 6794

2C34

L.mexicana ICP

Authors

Smith, B.O., Westrop, G.D., Mottram, J.C., Coombs, G.H.

Assembly

LM ICP

Entity

1. LM ICP residues 6 to 113 (polymer, Thiol state: all free), 108 monomers, 12206.90 Da Detail

SVKDNDKWVD THVGKTTEIH LKGNPTTGYM WTRVGFVGKD VLSDEILEVV CKYTPTPSST PMVGVGGIYV VLVKPRKRGH HTLELVYTRP FEGIKPENER YTLHLNVK

2. LM ICP residues -2 to 5 (polymer, Thiol state: not present), 8 monomers, 824.9871 Da Detail

GSHMIAPL

Total weight

13031.888 Da

Max. entity weight

12206.9 Da

Source organism

Leishmania mexicana

Exptl. method

NMR

Refine. method

ARIA-ALIKE

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 820, ¹³C: 519, ¹⁵N: 117 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	2	1	GLY	HA2	H	3.879	0.003	1
2	2	1	GLY	HA3	H	3.879	0.003	1
3	2	1	GLY	C	C	177.851	0.005	1
4	2	1	GLY	CA	C	43.393	0.028	1
5	2	2	SER	H	H	8.671	0.003	1
6	2	2	SER	HA	H	4.463	0.004	1
7	2	2	SER	HB2	H	3.829	0.003	1
8	2	2	SER	HB3	H	3.829	0.003	1
9	2	2	SER	C	C	173.799	0.000	1
10	2	2	SER	CA	C	58.386	0.065	1
11	2	2	SER	CB	C	64.044	0.045	1
12	2	2	SER	N	N	115.595	0.027	1
13	2	3	HIS	H	H	8.676	0.016	1
14	2	3	HIS	HA	H	4.716	0.007	1
15	2	3	HIS	HB2	H	3.269	0.004	2
16	2	3	HIS	HB3	H	3.146	0.009	2
17	2	3	HIS	C	C	173.924	0.006	1
18	2	3	HIS	CA	C	55.424	0.038	1
19	2	3	HIS	CB	C	29.158	0.055	1
20	2	3	HIS	N	N	120.705	0.030	1
21	2	4	MET	H	H	8.452	0.003	1
22	2	4	MET	HA	H	4.457	0.003	1
23	2	4	MET	HB2	H	2.080	0.013	2
24	2	4	MET	HB3	H	2.054	0.013	2
25	2	4	MET	HG2	H	2.536	0.028	2
26	2	4	MET	HG3	H	2.546	0.022	2
27	2	4	MET	C	C	172.317	0.003	1
28	2	4	MET	CA	C	55.695	0.069	1
29	2	4	MET	CB	C	32.994	0.140	1
30	2	4	MET	CG	C	31.950	0.121	1
31	2	4	MET	N	N	122.543	0.031	1
32	2	5	ILE	H	H	8.278	0.000	1
33	2	5	ILE	HA	H	4.159	0.000	1
34	2	5	ILE	HB	H	1.821	0.004	1
35	2	5	ILE	HG12	H	1.461	0.008	2
36	2	5	ILE	HG13	H	1.161	0.006	2
37	2	5	ILE	HG21	H	0.886	0.017	1
38	2	5	ILE	HG22	H	0.886	0.017	1
39	2	5	ILE	HG23	H	0.886	0.017	1
40	2	5	ILE	HD11	H	0.861	0.016	1
41	2	5	ILE	HD12	H	0.861	0.016	1
42	2	5	ILE	HD13	H	0.861	0.016	1
43	2	5	ILE	C	C	172.615	0.021	1
44	2	5	ILE	CA	C	61.056	0.087	1
45	2	5	ILE	CB	C	38.764	0.074	1
46	2	5	ILE	CG1	C	27.281	0.042	1
47	2	5	ILE	CG2	C	17.420	0.022	1
48	2	5	ILE	CD1	C	12.857	0.014	1
49	2	5	ILE	N	N	123.381	0.016	1
50	2	6	ALA	H	H	8.357	0.013	1
51	2	6	ALA	HA	H	4.602	0.000	1
52	2	6	ALA	HB1	H	1.361	0.002	1
53	2	6	ALA	HB2	H	1.361	0.002	1
54	2	6	ALA	HB3	H	1.361	0.002	1
55	2	6	ALA	C	C	172.788	0.000	1
56	2	6	ALA	CA	C	50.293	0.029	1
57	2	6	ALA	CB	C	18.340	0.044	1
58	2	6	ALA	N	N	130.152	0.010	1
59	2	7	PRO	HA	H	4.406	0.013	1
60	2	7	PRO	HB2	H	1.918	0.008	2
61	2	7	PRO	HB3	H	2.275	0.013	2
62	2	7	PRO	HG2	H	2.024	0.001	2
63	2	7	PRO	HG3	H	2.025	0.001	2
64	2	7	PRO	HD2	H	3.665	0.012	2
65	2	7	PRO	HD3	H	3.806	0.001	2
66	2	7	PRO	CA	C	63.075	0.000	1
67	2	7	PRO	CB	C	31.994	0.059	1
68	2	7	PRO	CG	C	27.445	0.126	1
69	2	7	PRO	CD	C	50.622	0.000	1
70	2	8	LEU	H	H	7.854	0.006	1
71	2	8	LEU	HA	H	4.147	0.000	1
72	2	8	LEU	CA	C	56.946	0.000	1
73	2	8	LEU	CB	C	43.451	0.000	1
74	2	8	LEU	N	N	127.951	0.034	1
75	1	1	SER	HA	H	4.245	0.005	1
76	1	1	SER	HB2	H	4.021	0.001	1
77	1	1	SER	HB3	H	4.021	0.001	1
78	1	1	SER	C	C	176.760	0.000	1
79	1	1	SER	CA	C	57.429	0.048	1
80	1	1	SER	CB	C	63.432	0.122	1
81	1	2	VAL	H	H	8.658	0.002	1
82	1	2	VAL	HA	H	4.209	0.003	1
83	1	2	VAL	HB	H	2.153	0.003	1
84	1	2	VAL	HG11	H	0.992	0.004	2
85	1	2	VAL	HG12	H	0.992	0.004	2
86	1	2	VAL	HG13	H	0.992	0.004	2
87	1	2	VAL	HG21	H	0.992	0.003	2
88	1	2	VAL	HG22	H	0.992	0.003	2
89	1	2	VAL	HG23	H	0.992	0.003	2
90	1	2	VAL	C	C	171.927	0.003	1
91	1	2	VAL	CA	C	62.981	0.047	1
92	1	2	VAL	CB	C	32.703	0.065	1
93	1	2	VAL	CG1	C	21.255	0.017	2
94	1	2	VAL	CG2	C	20.532	0.050	2
95	1	2	VAL	N	N	120.622	0.009	1
96	1	3	LYS	H	H	8.463	0.000	1
97	1	3	LYS	HA	H	4.386	0.000	1
98	1	3	LYS	HB2	H	1.789	0.002	2
99	1	3	LYS	HB3	H	1.891	0.004	2
100	1	3	LYS	HG2	H	1.462	0.000	1
101	1	3	LYS	HG3	H	1.462	0.000	1
102	1	3	LYS	HD2	H	1.700	0.000	1
103	1	3	LYS	HD3	H	1.700	0.000	1
104	1	3	LYS	HE2	H	3.018	0.003	1
105	1	3	LYS	HE3	H	3.018	0.003	1
106	1	3	LYS	C	C	171.845	0.019	1
107	1	3	LYS	CA	C	56.468	0.034	1
108	1	3	LYS	CB	C	33.191	0.051	1
109	1	3	LYS	CG	C	24.820	0.044	1
110	1	3	LYS	CD	C	29.129	0.014	1
111	1	3	LYS	CE	C	42.183	0.014	1
112	1	3	LYS	N	N	124.190	0.044	1
113	1	4	ASP	H	H	8.284	0.000	1
114	1	4	ASP	HA	H	4.706	0.000	1
115	1	4	ASP	HB2	H	2.784	0.008	2
116	1	4	ASP	HB3	H	2.677	0.001	2
117	1	4	ASP	C	C	172.224	0.022	1
118	1	4	ASP	CA	C	54.713	0.059	1
119	1	4	ASP	CB	C	41.179	0.097	1
120	1	4	ASP	N	N	121.127	0.020	1
121	1	5	ASN	H	H	8.223	0.003	1
122	1	5	ASN	HA	H	4.756	0.000	1
123	1	5	ASN	HB2	H	2.997	0.007	2
124	1	5	ASN	HB3	H	2.848	0.009	2
125	1	5	ASN	HD21	H	7.676	0.001	2
126	1	5	ASN	HD22	H	6.944	0.001	2
127	1	5	ASN	C	C	173.980	0.020	1
128	1	5	ASN	CA	C	52.979	0.067	1
129	1	5	ASN	CB	C	39.263	0.117	1
130	1	5	ASN	N	N	118.080	0.019	1
131	1	5	ASN	ND2	N	112.561	0.029	1
132	1	6	ASP	H	H	7.947	0.000	1
133	1	6	ASP	HA	H	4.932	0.000	1
134	1	6	ASP	HB2	H	2.487	0.007	2
135	1	6	ASP	HB3	H	2.472	0.019	2
136	1	6	ASP	C	C	173.442	0.006	1
137	1	6	ASP	CA	C	54.001	0.058	1
138	1	6	ASP	CB	C	43.061	0.110	1
139	1	6	ASP	N	N	120.844	0.028	1
140	1	7	LYS	H	H	8.143	0.000	1
141	1	7	LYS	HA	H	4.678	0.000	1
142	1	7	LYS	HB2	H	1.735	0.014	2
143	1	7	LYS	HB3	H	1.724	0.011	2
144	1	7	LYS	HG2	H	1.230	0.005	2
145	1	7	LYS	HG3	H	1.448	0.003	2
146	1	7	LYS	HD2	H	1.701	0.000	1
147	1	7	LYS	HD3	H	1.701	0.000	1
148	1	7	LYS	HE2	H	2.954	0.009	1
149	1	7	LYS	HE3	H	2.954	0.009	1
150	1	7	LYS	C	C	173.526	0.003	1
151	1	7	LYS	CA	C	55.314	0.071	1
152	1	7	LYS	CB	C	35.290	0.064	1
153	1	7	LYS	CG	C	24.890	0.081	1
154	1	7	LYS	CD	C	28.718	0.087	1
155	1	7	LYS	CE	C	42.276	0.000	1
156	1	7	LYS	N	N	121.902	0.046	1
157	1	8	TRP	H	H	8.933	0.008	1
158	1	8	TRP	HA	H	5.147	0.004	1
159	1	8	TRP	HB2	H	3.173	0.006	2
160	1	8	TRP	HB3	H	3.051	0.004	2
161	1	8	TRP	HD1	H	7.162	0.000	1
162	1	8	TRP	HE1	H	9.949	0.011	1
163	1	8	TRP	HE3	H	7.484	0.000	1
164	1	8	TRP	HZ2	H	7.003	0.000	1
165	1	8	TRP	HZ3	H	6.865	0.000	1
166	1	8	TRP	HH2	H	6.862	0.000	1
167	1	8	TRP	C	C	172.016	0.011	1
168	1	8	TRP	CA	C	57.241	0.029	1
169	1	8	TRP	CB	C	30.428	0.064	1
170	1	8	TRP	CD1	C	127.289	0.000	1
171	1	8	TRP	CE3	C	121.005	0.000	1
172	1	8	TRP	CZ2	C	113.735	0.000	1
173	1	8	TRP	CZ3	C	121.661	0.000	1
174	1	8	TRP	CH2	C	124.156	0.000	1
175	1	8	TRP	N	N	126.664	0.038	1
176	1	8	TRP	NE1	N	130.148	0.032	1
177	1	9	VAL	H	H	8.824	0.000	1
178	1	9	VAL	HA	H	4.560	0.000	1
179	1	9	VAL	HB	H	2.023	0.004	1
180	1	9	VAL	HG11	H	0.891	0.008	2
181	1	9	VAL	HG12	H	0.891	0.008	2
182	1	9	VAL	HG13	H	0.891	0.008	2
183	1	9	VAL	HG21	H	0.898	0.003	2
184	1	9	VAL	HG22	H	0.898	0.003	2
185	1	9	VAL	HG23	H	0.898	0.003	2
186	1	9	VAL	C	C	173.994	0.003	1
187	1	9	VAL	CA	C	60.682	0.074	1
188	1	9	VAL	CB	C	35.762	0.067	1
189	1	9	VAL	CG1	C	21.138	0.109	2
190	1	9	VAL	CG2	C	21.100	0.104	2
191	1	9	VAL	N	N	120.717	0.047	1
192	1	10	ASP	H	H	8.751	0.011	1
193	1	10	ASP	HA	H	5.408	0.000	1
194	1	10	ASP	HB2	H	2.662	0.004	1
195	1	10	ASP	HB3	H	2.662	0.004	1
196	1	10	ASP	C	C	172.486	0.000	1
197	1	10	ASP	CA	C	53.873	0.041	1
198	1	10	ASP	CB	C	41.479	0.047	1
199	1	10	ASP	N	N	127.603	0.050	1
200	1	11	THR	H	H	8.869	0.000	1
201	1	11	THR	HA	H	4.724	0.000	1
202	1	11	THR	HB	H	3.909	0.004	1
203	1	11	THR	HG21	H	1.096	0.003	1
204	1	11	THR	HG22	H	1.096	0.003	1
205	1	11	THR	HG23	H	1.096	0.003	1
206	1	11	THR	C	C	175.701	0.021	1
207	1	11	THR	CA	C	58.805	0.066	1
208	1	11	THR	CB	C	69.177	0.038	1
209	1	11	THR	CG2	C	20.473	0.021	1
210	1	11	THR	N	N	118.561	0.070	1
211	1	12	HIS	H	H	8.821	0.000	1
212	1	12	HIS	HA	H	5.522	0.000	1
213	1	12	HIS	HB2	H	3.355	0.002	2
214	1	12	HIS	HB3	H	2.765	0.005	2
215	1	12	HIS	HD2	H	7.234	0.000	1
216	1	12	HIS	C	C	174.185	0.011	1
217	1	12	HIS	CA	C	54.137	0.028	1
218	1	12	HIS	CB	C	33.271	0.067	1
219	1	12	HIS	N	N	118.527	0.011	1
220	1	13	VAL	H	H	8.698	0.008	1
221	1	13	VAL	HA	H	3.261	0.006	1
222	1	13	VAL	HB	H	1.909	0.001	1
223	1	13	VAL	HG11	H	0.823	0.006	2
224	1	13	VAL	HG12	H	0.823	0.006	2
225	1	13	VAL	HG13	H	0.823	0.006	2
226	1	13	VAL	HG21	H	0.808	0.010	2
227	1	13	VAL	HG22	H	0.808	0.010	2
228	1	13	VAL	HG23	H	0.808	0.010	2
229	1	13	VAL	C	C	170.225	0.016	1
230	1	13	VAL	CA	C	65.499	0.078	1
231	1	13	VAL	CB	C	31.529	0.062	1
232	1	13	VAL	CG1	C	23.383	0.022	2
233	1	13	VAL	CG2	C	21.252	0.018	2
234	1	13	VAL	N	N	121.266	0.025	1
235	1	14	GLY	H	H	8.379	0.000	1
236	1	14	GLY	HA2	H	4.296	0.000	2
237	1	14	GLY	HA3	H	3.588	0.000	2
238	1	14	GLY	C	C	174.961	0.010	1
239	1	14	GLY	CA	C	45.548	0.051	1
240	1	14	GLY	N	N	112.492	0.011	1
241	1	15	LYS	H	H	7.621	0.000	1
242	1	15	LYS	HA	H	4.540	0.000	1
243	1	15	LYS	HB2	H	1.662	0.000	2
244	1	15	LYS	HB3	H	1.908	0.005	2
245	1	15	LYS	HG2	H	1.459	0.009	2
246	1	15	LYS	HG3	H	1.302	0.004	2
247	1	15	LYS	HD2	H	1.708	0.010	1
248	1	15	LYS	HD3	H	1.708	0.010	1
249	1	15	LYS	HE2	H	3.005	0.000	1
250	1	15	LYS	HE3	H	3.005	0.000	1
251	1	15	LYS	C	C	171.631	0.017	1
252	1	15	LYS	CA	C	54.666	0.063	1
253	1	15	LYS	CB	C	32.814	0.048	1
254	1	15	LYS	CG	C	25.175	0.057	1
255	1	15	LYS	CD	C	28.638	0.000	1
256	1	15	LYS	CE	C	42.278	0.000	1
257	1	15	LYS	N	N	121.441	0.046	1
258	1	16	THR	H	H	8.791	0.000	1
259	1	16	THR	HA	H	4.788	0.000	1
260	1	16	THR	HB	H	3.979	0.006	1
261	1	16	THR	HG21	H	1.051	0.001	1
262	1	16	THR	HG22	H	1.051	0.001	1
263	1	16	THR	HG23	H	1.051	0.001	1
264	1	16	THR	C	C	172.507	0.011	1
265	1	16	THR	CA	C	63.604	0.061	1
266	1	16	THR	CB	C	69.780	0.032	1
267	1	16	THR	CG2	C	22.892	0.028	1
268	1	16	THR	N	N	122.250	0.047	1
269	1	17	THR	H	H	9.514	0.005	1
270	1	17	THR	HA	H	4.369	0.006	1
271	1	17	THR	HB	H	3.692	0.003	1
272	1	17	THR	HG21	H	1.087	0.007	1
273	1	17	THR	HG22	H	1.087	0.007	1
274	1	17	THR	HG23	H	1.087	0.007	1
275	1	17	THR	C	C	176.593	0.012	1
276	1	17	THR	CA	C	63.384	0.065	1
277	1	17	THR	CB	C	70.767	0.050	1
278	1	17	THR	CG2	C	21.495	0.078	1
279	1	17	THR	N	N	127.867	0.040	1
280	1	18	GLU	H	H	8.733	0.000	1
281	1	18	GLU	HA	H	5.288	0.000	1
282	1	18	GLU	HB2	H	1.796	0.000	2
283	1	18	GLU	HB3	H	1.784	0.012	2
284	1	18	GLU	HG2	H	1.787	0.010	2
285	1	18	GLU	HG3	H	2.060	0.002	2
286	1	18	GLU	C	C	172.971	0.003	1
287	1	18	GLU	CA	C	54.343	0.045	1
288	1	18	GLU	CB	C	31.745	0.056	1
289	1	18	GLU	CG	C	36.001	0.020	1
290	1	18	GLU	N	N	129.308	0.023	1
291	1	19	ILE	H	H	9.286	0.000	1
292	1	19	ILE	HA	H	4.185	0.000	1
293	1	19	ILE	HB	H	1.369	0.005	1
294	1	19	ILE	HG12	H	1.139	0.002	2
295	1	19	ILE	HG13	H	0.914	0.005	2
296	1	19	ILE	HG21	H	0.330	0.008	1
297	1	19	ILE	HG22	H	0.330	0.008	1
298	1	19	ILE	HG23	H	0.330	0.008	1
299	1	19	ILE	HD11	H	0.520	0.005	1
300	1	19	ILE	HD12	H	0.520	0.005	1
301	1	19	ILE	HD13	H	0.520	0.005	1
302	1	19	ILE	C	C	173.492	0.009	1
303	1	19	ILE	CA	C	59.531	0.025	1
304	1	19	ILE	CB	C	41.590	0.062	1
305	1	19	ILE	CG1	C	26.668	0.085	1
306	1	19	ILE	CG2	C	17.536	0.042	1
307	1	19	ILE	CD1	C	14.234	0.022	1
308	1	19	ILE	N	N	126.783	0.048	1
309	1	20	HIS	H	H	8.735	0.000	1
310	1	20	HIS	HA	H	5.563	0.000	1
311	1	20	HIS	HB2	H	3.153	0.007	2
312	1	20	HIS	HB3	H	2.756	0.005	2
313	1	20	HIS	HD2	H	6.899	0.000	1
314	1	20	HIS	C	C	174.682	0.007	1
315	1	20	HIS	CA	C	52.257	0.015	1
316	1	20	HIS	CB	C	30.523	0.051	1
317	1	20	HIS	CD2	C	117.061	0.003	1
318	1	20	HIS	N	N	124.595	0.020	1
319	1	21	LEU	H	H	8.930	0.000	1
320	1	21	LEU	HA	H	4.481	0.000	1
321	1	21	LEU	HB2	H	0.486	0.006	2
322	1	21	LEU	HB3	H	0.354	0.001	2
323	1	21	LEU	HG	H	0.435	0.003	1
324	1	21	LEU	HD11	H	-1.035	0.004	1
325	1	21	LEU	HD12	H	-1.035	0.004	1
326	1	21	LEU	HD13	H	-1.035	0.004	1
327	1	21	LEU	HD21	H	-0.350	0.004	1
328	1	21	LEU	HD22	H	-0.350	0.004	1
329	1	21	LEU	HD23	H	-0.350	0.004	1
330	1	21	LEU	C	C	172.353	0.014	1
331	1	21	LEU	CA	C	52.833	0.031	1
332	1	21	LEU	CB	C	43.950	0.068	1
333	1	21	LEU	CG	C	25.568	0.091	1
334	1	21	LEU	CD1	C	22.014	0.015	2
335	1	21	LEU	CD2	C	23.922	0.043	2
336	1	21	LEU	N	N	124.797	0.016	1
337	1	22	LYS	H	H	8.710	0.004	1
338	1	22	LYS	HA	H	4.817	0.000	1
339	1	22	LYS	HB2	H	1.901	0.003	2
340	1	22	LYS	HB3	H	1.834	0.001	2
341	1	22	LYS	HG2	H	1.573	0.001	2
342	1	22	LYS	HG3	H	1.456	0.003	2
343	1	22	LYS	HD2	H	1.726	0.000	1
344	1	22	LYS	HD3	H	1.726	0.000	1
345	1	22	LYS	HE2	H	3.016	0.006	1
346	1	22	LYS	HE3	H	3.016	0.006	1
347	1	22	LYS	C	C	170.919	0.010	1
348	1	22	LYS	CA	C	56.645	0.060	1
349	1	22	LYS	CB	C	33.720	0.055	1
350	1	22	LYS	CG	C	25.185	0.073	1
351	1	22	LYS	CD	C	28.947	0.000	1
352	1	22	LYS	CE	C	42.113	0.000	1
353	1	22	LYS	N	N	122.018	0.036	1
354	1	23	GLY	H	H	8.363	0.002	1
355	1	23	GLY	HA2	H	4.276	0.024	2
356	1	23	GLY	HA3	H	4.198	0.017	2
357	1	23	GLY	C	C	176.842	0.024	1
358	1	23	GLY	CA	C	46.147	0.047	1
359	1	23	GLY	N	N	107.968	0.024	1
360	1	24	ASN	H	H	8.274	0.004	1
361	1	24	ASN	HA	H	5.258	0.004	1
362	1	24	ASN	HB3	H	2.980	0.005	1
363	1	24	ASN	HD21	H	7.090	0.002	2
364	1	24	ASN	HD22	H	7.811	0.001	2
365	1	24	ASN	C	C	173.179	0.000	1
366	1	24	ASN	CA	C	50.463	0.032	1
367	1	24	ASN	CB	C	39.760	0.000	1
368	1	24	ASN	N	N	114.105	0.025	1
369	1	24	ASN	ND2	N	112.549	0.021	1
370	1	25	PRO	HA	H	4.935	0.005	1
371	1	25	PRO	HB2	H	1.938	0.004	2
372	1	25	PRO	HB3	H	2.278	0.005	2
373	1	25	PRO	HG2	H	1.301	0.005	2
374	1	25	PRO	HG3	H	1.489	0.006	2
375	1	25	PRO	HD2	H	3.169	0.003	2
376	1	25	PRO	HD3	H	3.602	0.004	2
377	1	25	PRO	C	C	168.427	0.000	1
378	1	25	PRO	CA	C	64.456	0.049	1
379	1	25	PRO	CB	C	31.878	0.081	1
380	1	25	PRO	CG	C	26.470	0.028	1
381	1	25	PRO	CD	C	51.182	0.006	1
382	1	26	THR	H	H	8.005	0.000	1
383	1	26	THR	HA	H	4.185	0.000	1
384	1	26	THR	HB	H	4.280	0.007	1
385	1	26	THR	HG21	H	1.322	0.004	1
386	1	26	THR	HG22	H	1.322	0.004	1
387	1	26	THR	HG23	H	1.322	0.004	1
388	1	26	THR	C	C	172.041	0.001	1
389	1	26	THR	CA	C	65.062	0.062	1
390	1	26	THR	CB	C	68.685	0.039	1
391	1	26	THR	CG2	C	21.785	0.038	1
392	1	26	THR	N	N	114.017	0.020	1
393	1	27	THR	H	H	7.782	0.000	1
394	1	27	THR	HA	H	4.366	0.000	1
395	1	27	THR	HB	H	4.627	0.002	1
396	1	27	THR	HG21	H	1.402	0.006	1
397	1	27	THR	HG22	H	1.402	0.006	1
398	1	27	THR	HG23	H	1.402	0.006	1
399	1	27	THR	C	C	172.308	0.014	1
400	1	27	THR	CA	C	62.855	0.069	1
401	1	27	THR	CB	C	70.985	0.102	1
402	1	27	THR	CG2	C	21.298	0.003	1
403	1	27	THR	N	N	109.913	0.026	1
404	1	28	GLY	H	H	7.881	0.000	1
405	1	28	GLY	HA2	H	4.199	0.000	2
406	1	28	GLY	HA3	H	3.631	0.000	2
407	1	28	GLY	C	C	174.804	0.008	1
408	1	28	GLY	CA	C	45.167	0.025	1
409	1	28	GLY	N	N	109.461	0.035	1
410	1	29	TYR	H	H	7.297	0.000	1
411	1	29	TYR	HA	H	3.997	0.000	1
412	1	29	TYR	HB2	H	2.074	0.010	2
413	1	29	TYR	HB3	H	0.597	0.007	2
414	1	29	TYR	HD1	H	6.341	0.000	1
415	1	29	TYR	HD2	H	6.341	0.000	1
416	1	29	TYR	HE1	H	6.604	0.000	1
417	1	29	TYR	HE2	H	6.604	0.000	1
418	1	29	TYR	C	C	173.142	0.012	1
419	1	29	TYR	CA	C	57.710	0.074	1
420	1	29	TYR	CB	C	38.864	0.087	1
421	1	29	TYR	CD1	C	132.949	0.000	1
422	1	29	TYR	CD2	C	132.949	0.000	1
423	1	29	TYR	CE1	C	117.663	0.000	1
424	1	29	TYR	CE2	C	117.663	0.000	1
425	1	29	TYR	N	N	119.181	0.034	1
426	1	30	MET	H	H	8.300	0.005	1
427	1	30	MET	HA	H	4.548	0.000	1
428	1	30	MET	HB2	H	2.160	0.001	2
429	1	30	MET	HB3	H	1.887	0.003	2
430	1	30	MET	HG2	H	2.161	0.005	2
431	1	30	MET	HG3	H	2.412	0.004	2
432	1	30	MET	C	C	173.280	0.003	1
433	1	30	MET	CA	C	54.486	0.042	1
434	1	30	MET	CB	C	35.883	0.032	1
435	1	30	MET	CG	C	29.881	0.033	1
436	1	30	MET	N	N	114.088	0.027	1
437	1	31	TRP	H	H	5.837	0.000	1
438	1	31	TRP	HA	H	5.164	0.000	1
439	1	31	TRP	HB2	H	2.590	0.005	2
440	1	31	TRP	HB3	H	1.987	0.020	2
441	1	31	TRP	HD1	H	6.004	0.003	1
442	1	31	TRP	HE1	H	9.226	0.000	1
443	1	31	TRP	HE3	H	7.183	0.000	1
444	1	31	TRP	HZ2	H	7.093	0.000	1
445	1	31	TRP	HZ3	H	6.569	0.000	1
446	1	31	TRP	HH2	H	6.757	0.000	1
447	1	31	TRP	C	C	173.033	0.024	1
448	1	31	TRP	CA	C	57.610	0.059	1
449	1	31	TRP	CB	C	30.220	0.042	1
450	1	31	TRP	CD1	C	125.520	0.000	1
451	1	31	TRP	CE3	C	120.286	0.000	1
452	1	31	TRP	CZ2	C	114.809	0.000	1
453	1	31	TRP	CZ3	C	121.572	0.000	1
454	1	31	TRP	CH2	C	124.143	0.000	1
455	1	31	TRP	N	N	120.245	0.012	1
456	1	31	TRP	NE1	N	129.175	0.000	1
457	1	32	THR	H	H	9.100	0.000	1
458	1	32	THR	HA	H	4.571	0.000	1
459	1	32	THR	HB	H	4.077	0.003	1
460	1	32	THR	HG21	H	1.021	0.001	1
461	1	32	THR	HG22	H	1.021	0.001	1
462	1	32	THR	HG23	H	1.021	0.001	1
463	1	32	THR	C	C	176.183	0.004	1
464	1	32	THR	CA	C	59.539	0.031	1
465	1	32	THR	CB	C	68.704	0.076	1
466	1	32	THR	CG2	C	20.405	0.063	1
467	1	32	THR	N	N	116.392	0.030	1
468	1	33	ARG	H	H	8.016	0.000	1
469	1	33	ARG	HA	H	5.155	0.000	1
470	1	33	ARG	HB2	H	1.210	0.005	2
471	1	33	ARG	HB3	H	1.648	0.009	2
472	1	33	ARG	HG2	H	1.987	0.011	2
473	1	33	ARG	HG3	H	1.754	0.002	2
474	1	33	ARG	HD2	H	2.351	0.010	2
475	1	33	ARG	HD3	H	2.417	0.000	2
476	1	33	ARG	HE	H	7.441	0.000	1
477	1	33	ARG	C	C	172.534	0.002	1
478	1	33	ARG	CA	C	54.528	0.039	1
479	1	33	ARG	CB	C	34.675	0.028	1
480	1	33	ARG	CG	C	26.021	0.072	1
481	1	33	ARG	CD	C	44.860	0.014	1
482	1	33	ARG	N	N	123.510	0.045	1
483	1	33	ARG	NE	N	83.819	0.000	1
484	1	34	VAL	H	H	8.659	0.002	1
485	1	34	VAL	HA	H	3.469	0.002	1
486	1	34	VAL	HB	H	2.028	0.006	1
487	1	34	VAL	HG11	H	0.910	0.015	2
488	1	34	VAL	HG12	H	0.910	0.015	2
489	1	34	VAL	HG13	H	0.910	0.015	2
490	1	34	VAL	HG21	H	0.952	0.008	2
491	1	34	VAL	HG22	H	0.952	0.008	2
492	1	34	VAL	HG23	H	0.952	0.008	2
493	1	34	VAL	C	C	171.020	0.018	1
494	1	34	VAL	CA	C	66.671	0.023	1
495	1	34	VAL	CB	C	31.787	0.051	1
496	1	34	VAL	CG1	C	22.937	0.115	2
497	1	34	VAL	CG2	C	20.769	0.025	2
498	1	34	VAL	N	N	128.229	0.040	1
499	1	35	GLY	H	H	8.403	0.007	1
500	1	35	GLY	HA2	H	4.407	0.005	2
501	1	35	GLY	HA3	H	3.643	0.006	2
502	1	35	GLY	C	C	172.599	0.001	1
503	1	35	GLY	CA	C	45.192	0.023	1
504	1	35	GLY	N	N	115.887	0.038	1
505	1	36	PHE	H	H	8.626	0.010	1
506	1	36	PHE	HA	H	4.500	0.000	1
507	1	36	PHE	HB2	H	3.482	0.007	2
508	1	36	PHE	HB3	H	2.973	0.003	2
509	1	36	PHE	HD1	H	7.264	0.014	1
510	1	36	PHE	HD2	H	7.264	0.014	1
511	1	36	PHE	HE1	H	7.184	0.000	1
512	1	36	PHE	HE2	H	7.184	0.000	1
513	1	36	PHE	C	C	173.007	0.000	1
514	1	36	PHE	CA	C	57.077	0.074	1
515	1	36	PHE	CB	C	39.948	0.090	1
516	1	36	PHE	CD1	C	132.052	0.000	1
517	1	36	PHE	CD2	C	132.052	0.000	1
518	1	36	PHE	N	N	120.078	0.033	1
519	1	37	VAL	H	H	7.787	0.000	1
520	1	37	VAL	HA	H	3.722	0.000	1
521	1	37	VAL	HB	H	2.040	0.009	1
522	1	37	VAL	HG11	H	0.860	0.004	1
523	1	37	VAL	HG12	H	0.860	0.004	1
524	1	37	VAL	HG13	H	0.860	0.004	1
525	1	37	VAL	HG21	H	1.019	0.003	1
526	1	37	VAL	HG22	H	1.019	0.003	1
527	1	37	VAL	HG23	H	1.019	0.003	1
528	1	37	VAL	C	C	169.835	0.006	1
529	1	37	VAL	CA	C	65.135	0.019	1
530	1	37	VAL	CB	C	31.061	0.041	1
531	1	37	VAL	CG1	C	21.498	0.010	2
532	1	37	VAL	CG2	C	22.204	0.083	2
533	1	37	VAL	N	N	120.557	0.033	1
534	1	38	GLY	H	H	8.869	0.000	1
535	1	38	GLY	HA2	H	4.200	0.000	2
536	1	38	GLY	HA3	H	3.694	0.000	2
537	1	38	GLY	C	C	173.904	0.002	1
538	1	38	GLY	CA	C	45.283	0.063	1
539	1	38	GLY	N	N	115.898	0.032	1
540	1	39	LYS	H	H	8.084	0.000	1
541	1	39	LYS	HA	H	4.603	0.000	1
542	1	39	LYS	HB2	H	2.189	0.006	2
543	1	39	LYS	HB3	H	2.100	0.004	2
544	1	39	LYS	HG2	H	1.325	0.003	2
545	1	39	LYS	HG3	H	1.453	0.008	2
546	1	39	LYS	HD2	H	1.780	0.002	2
547	1	39	LYS	HD3	H	1.666	0.006	2
548	1	39	LYS	HE2	H	3.006	0.003	2
549	1	39	LYS	HE3	H	3.005	0.003	2
550	1	39	LYS	C	C	171.835	0.013	1
551	1	39	LYS	CA	C	55.161	0.034	1
552	1	39	LYS	CB	C	33.702	0.082	1
553	1	39	LYS	CG	C	25.239	0.068	1
554	1	39	LYS	CD	C	28.896	0.061	1
555	1	39	LYS	CE	C	42.292	0.025	1
556	1	39	LYS	N	N	119.658	0.026	1
557	1	40	ASP	H	H	8.520	0.000	1
558	1	40	ASP	HA	H	4.640	0.000	1
559	1	40	ASP	HB2	H	2.796	0.005	2
560	1	40	ASP	HB3	H	2.734	0.006	2
561	1	40	ASP	C	C	171.856	0.010	1
562	1	40	ASP	CA	C	55.523	0.045	1
563	1	40	ASP	CB	C	41.447	0.056	1
564	1	40	ASP	N	N	118.924	0.020	1
565	1	41	VAL	H	H	7.626	0.000	1
566	1	41	VAL	HA	H	4.304	0.000	1
567	1	41	VAL	HB	H	2.182	0.004	1
568	1	41	VAL	HG11	H	1.054	0.003	1
569	1	41	VAL	HG12	H	1.054	0.003	1
570	1	41	VAL	HG13	H	1.054	0.003	1
571	1	41	VAL	HG21	H	1.145	0.001	1
572	1	41	VAL	HG22	H	1.145	0.001	1
573	1	41	VAL	HG23	H	1.145	0.001	1
574	1	41	VAL	C	C	172.147	0.002	1
575	1	41	VAL	CA	C	62.082	0.065	1
576	1	41	VAL	CB	C	33.360	0.094	1
577	1	41	VAL	CG1	C	21.543	0.005	2
578	1	41	VAL	CG2	C	20.953	0.017	2
579	1	41	VAL	N	N	119.154	0.027	1
580	1	42	LEU	H	H	8.839	0.006	1
581	1	42	LEU	HA	H	4.253	0.004	1
582	1	42	LEU	HB2	H	1.564	0.002	2
583	1	42	LEU	HB3	H	1.076	0.005	2
584	1	42	LEU	HG	H	1.663	0.003	1
585	1	42	LEU	HD11	H	0.871	0.001	1
586	1	42	LEU	HD12	H	0.871	0.001	1
587	1	42	LEU	HD13	H	0.871	0.001	1
588	1	42	LEU	HD21	H	0.882	0.000	1
589	1	42	LEU	HD22	H	0.882	0.000	1
590	1	42	LEU	HD23	H	0.882	0.000	1
591	1	42	LEU	C	C	173.132	0.017	1
592	1	42	LEU	CA	C	54.093	0.035	1
593	1	42	LEU	CB	C	42.130	0.069	1
594	1	42	LEU	CG	C	27.269	0.026	1
595	1	42	LEU	CD1	C	25.947	0.053	2
596	1	42	LEU	CD2	C	24.033	0.102	2
597	1	42	LEU	N	N	124.963	0.024	1
598	1	43	SER	H	H	6.736	0.000	1
599	1	43	SER	HA	H	4.580	0.000	1
600	1	43	SER	HB2	H	4.065	0.000	2
601	1	43	SER	HB3	H	3.644	0.003	2
602	1	43	SER	C	C	176.051	0.001	1
603	1	43	SER	CA	C	58.392	0.076	1
604	1	43	SER	CB	C	64.594	0.018	1
605	1	43	SER	N	N	114.103	0.034	1
606	1	44	ASP	H	H	8.908	0.000	1
607	1	44	ASP	HA	H	4.724	0.000	1
608	1	44	ASP	HB2	H	3.307	0.001	2
609	1	44	ASP	HB3	H	2.870	0.006	2
610	1	44	ASP	C	C	172.640	0.006	1
611	1	44	ASP	CA	C	52.813	0.030	1
612	1	44	ASP	CB	C	42.630	0.056	1
613	1	44	ASP	N	N	123.466	0.055	1
614	1	45	GLU	H	H	8.598	0.000	1
615	1	45	GLU	HA	H	4.019	0.000	1
616	1	45	GLU	HB2	H	2.019	0.003	1
617	1	45	GLU	HB3	H	2.019	0.003	1
618	1	45	GLU	HG2	H	2.285	0.003	1
619	1	45	GLU	HG3	H	2.285	0.003	1
620	1	45	GLU	C	C	172.141	0.007	1
621	1	45	GLU	CA	C	58.607	0.057	1
622	1	45	GLU	CB	C	29.234	0.096	1
623	1	45	GLU	CG	C	36.272	0.034	1
624	1	45	GLU	N	N	115.570	0.021	1
625	1	46	ILE	H	H	7.595	0.000	1
626	1	46	ILE	HA	H	3.813	0.000	1
627	1	46	ILE	HB	H	1.762	0.002	1
628	1	46	ILE	HG12	H	1.061	0.005	2
629	1	46	ILE	HG13	H	1.480	0.003	2
630	1	46	ILE	HG21	H	0.295	0.004	1
631	1	46	ILE	HG22	H	0.295	0.004	1
632	1	46	ILE	HG23	H	0.295	0.004	1
633	1	46	ILE	HD11	H	0.750	0.004	1
634	1	46	ILE	HD12	H	0.750	0.004	1
635	1	46	ILE	HD13	H	0.750	0.004	1
636	1	46	ILE	C	C	172.171	0.010	1
637	1	46	ILE	CA	C	62.768	0.020	1
638	1	46	ILE	CB	C	38.098	0.035	1
639	1	46	ILE	CG1	C	27.842	0.042	1
640	1	46	ILE	CG2	C	17.506	0.015	1
641	1	46	ILE	CD1	C	11.837	0.001	1
642	1	46	ILE	N	N	115.364	0.028	1
643	1	47	LEU	H	H	8.293	0.005	1
644	1	47	LEU	HA	H	4.636	0.004	1
645	1	47	LEU	HB2	H	1.593	0.009	2
646	1	47	LEU	HB3	H	0.877	0.009	2
647	1	47	LEU	HG	H	1.486	0.006	1
648	1	47	LEU	HD11	H	0.694	0.005	1
649	1	47	LEU	HD12	H	0.694	0.005	1
650	1	47	LEU	HD13	H	0.694	0.005	1
651	1	47	LEU	HD21	H	0.676	0.005	1
652	1	47	LEU	HD22	H	0.676	0.005	1
653	1	47	LEU	HD23	H	0.676	0.005	1
654	1	47	LEU	C	C	173.427	0.003	1
655	1	47	LEU	CA	C	53.868	0.050	1
656	1	47	LEU	CB	C	46.088	0.072	1
657	1	47	LEU	CG	C	26.035	0.000	1
658	1	47	LEU	CD1	C	24.120	0.016	2
659	1	47	LEU	CD2	C	27.267	0.034	2
660	1	47	LEU	N	N	118.938	0.016	1
661	1	48	GLU	H	H	8.433	0.005	1
662	1	48	GLU	HA	H	4.552	0.004	1
663	1	48	GLU	HB2	H	1.923	0.002	2
664	1	48	GLU	HB3	H	2.173	0.003	2
665	1	48	GLU	HG2	H	2.216	0.004	2
666	1	48	GLU	HG3	H	1.969	0.001	2
667	1	48	GLU	C	C	172.199	0.011	1
668	1	48	GLU	CA	C	55.413	0.079	1
669	1	48	GLU	CB	C	30.302	0.045	1
670	1	48	GLU	CG	C	36.546	0.010	1
671	1	48	GLU	N	N	124.444	0.009	1
672	1	49	VAL	H	H	8.457	0.000	1
673	1	49	VAL	HA	H	4.841	0.000	1
674	1	49	VAL	HB	H	1.565	0.006	1
675	1	49	VAL	HG11	H	0.534	0.002	1
676	1	49	VAL	HG12	H	0.534	0.002	1
677	1	49	VAL	HG13	H	0.534	0.002	1
678	1	49	VAL	HG21	H	0.620	0.003	1
679	1	49	VAL	HG22	H	0.620	0.003	1
680	1	49	VAL	HG23	H	0.620	0.003	1
681	1	49	VAL	C	C	174.548	0.011	1
682	1	49	VAL	CA	C	61.142	0.038	1
683	1	49	VAL	CB	C	34.936	0.084	1
684	1	49	VAL	CG1	C	21.354	0.068	2
685	1	49	VAL	CG2	C	23.187	0.047	2
686	1	49	VAL	N	N	127.203	0.013	1
687	1	50	VAL	H	H	8.606	0.000	1
688	1	50	VAL	HA	H	4.267	0.000	1
689	1	50	VAL	HB	H	1.913	0.004	1
690	1	50	VAL	HG11	H	0.937	0.003	1
691	1	50	VAL	HG12	H	0.937	0.003	1
692	1	50	VAL	HG13	H	0.937	0.003	1
693	1	50	VAL	HG21	H	0.937	0.003	1
694	1	50	VAL	HG22	H	0.937	0.003	1
695	1	50	VAL	HG23	H	0.937	0.003	1
696	1	50	VAL	C	C	173.935	0.020	1
697	1	50	VAL	CA	C	61.139	0.037	1
698	1	50	VAL	CB	C	35.579	0.062	1
699	1	50	VAL	CG1	C	20.981	0.022	2
700	1	50	VAL	CG2	C	20.978	0.020	2
701	1	50	VAL	N	N	125.867	0.022	1
702	1	51	CYS	H	H	9.139	0.008	1
703	1	51	CYS	HA	H	5.358	0.000	1
704	1	51	CYS	HB2	H	2.988	0.004	2
705	1	51	CYS	HB3	H	2.386	0.007	2
706	1	51	CYS	C	C	174.768	0.007	1
707	1	51	CYS	CA	C	56.938	0.036	1
708	1	51	CYS	CB	C	28.388	0.057	1
709	1	51	CYS	N	N	126.918	0.043	1
710	1	52	LYS	H	H	9.036	0.005	1
711	1	52	LYS	HA	H	4.877	0.000	1
712	1	52	LYS	HB2	H	1.697	0.003	2
713	1	52	LYS	HB3	H	1.789	0.006	2
714	1	52	LYS	HG2	H	1.345	0.002	1
715	1	52	LYS	HG3	H	1.345	0.002	1
716	1	52	LYS	HD2	H	1.634	0.002	1
717	1	52	LYS	HD3	H	1.634	0.002	1
718	1	52	LYS	HE2	H	2.879	0.003	1
719	1	52	LYS	HE3	H	2.879	0.003	1
720	1	52	LYS	C	C	173.263	0.010	1
721	1	52	LYS	CA	C	54.993	0.077	1
722	1	52	LYS	CB	C	36.086	0.061	1
723	1	52	LYS	CG	C	24.435	0.009	1
724	1	52	LYS	CD	C	29.273	0.070	1
725	1	52	LYS	CE	C	42.126	0.000	1
726	1	52	LYS	N	N	127.870	0.038	1
727	1	53	TYR	H	H	9.078	0.005	1
728	1	53	TYR	HA	H	4.384	0.000	1
729	1	53	TYR	HB2	H	2.605	0.007	2
730	1	53	TYR	HB3	H	2.441	0.009	2
731	1	53	TYR	HD1	H	6.162	0.000	1
732	1	53	TYR	HD2	H	6.162	0.000	1
733	1	53	TYR	HE1	H	6.472	0.000	1
734	1	53	TYR	HE2	H	6.472	0.000	1
735	1	53	TYR	C	C	172.983	0.037	1
736	1	53	TYR	CA	C	58.013	0.029	1
737	1	53	TYR	CB	C	38.986	0.079	1
738	1	53	TYR	CD1	C	133.069	0.000	1
739	1	53	TYR	CD2	C	133.069	0.000	1
740	1	53	TYR	CE1	C	117.416	0.000	1
741	1	53	TYR	CE2	C	117.416	0.000	1
742	1	53	TYR	N	N	127.341	0.033	1
743	1	54	THR	H	H	8.452	0.000	1
744	1	54	THR	HA	H	4.457	0.000	1
745	1	54	THR	HB	H	3.749	0.003	1
746	1	54	THR	HG21	H	0.987	0.000	1
747	1	54	THR	HG22	H	0.987	0.000	1
748	1	54	THR	HG23	H	0.987	0.000	1
749	1	54	THR	C	C	177.013	0.000	1
750	1	54	THR	CA	C	58.084	0.038	1
751	1	54	THR	CB	C	70.912	0.043	1
752	1	54	THR	N	N	125.271	0.030	1
753	1	55	PRO	HA	H	4.331	0.004	1
754	1	55	PRO	HB2	H	1.861	0.007	2
755	1	55	PRO	HB3	H	2.320	0.003	2
756	1	55	PRO	HG2	H	1.999	0.003	1
757	1	55	PRO	HG3	H	1.999	0.003	1
758	1	55	PRO	HD2	H	3.656	0.003	2
759	1	55	PRO	HD3	H	3.412	0.002	2
760	1	55	PRO	C	C	171.579	0.001	1
761	1	55	PRO	CA	C	62.397	0.065	1
762	1	55	PRO	CB	C	32.318	0.043	1
763	1	55	PRO	CG	C	26.974	0.052	1
764	1	55	PRO	CD	C	51.221	0.054	1
765	1	56	THR	H	H	8.587	0.000	1
766	1	56	THR	HA	H	4.451	0.000	1
767	1	56	THR	HB	H	4.008	0.008	1
768	1	56	THR	HG21	H	1.177	0.002	1
769	1	56	THR	HG22	H	1.177	0.002	1
770	1	56	THR	HG23	H	1.177	0.002	1
771	1	56	THR	C	C	175.143	0.000	1
772	1	56	THR	CA	C	60.085	0.039	1
773	1	56	THR	CB	C	69.811	0.013	1
774	1	56	THR	CG2	C	21.582	0.048	1
775	1	56	THR	N	N	119.207	0.022	1
776	1	57	PRO	HA	H	4.418	0.004	1
777	1	57	PRO	HB2	H	2.265	0.002	2
778	1	57	PRO	HB3	H	1.925	0.005	2
779	1	57	PRO	HG2	H	1.936	0.008	2
780	1	57	PRO	HG3	H	2.030	0.003	2
781	1	57	PRO	HD2	H	3.659	0.007	2
782	1	57	PRO	HD3	H	3.829	0.001	2
783	1	57	PRO	C	C	171.340	0.000	1
784	1	57	PRO	CA	C	63.298	0.033	1
785	1	57	PRO	CB	C	32.003	0.016	1
786	1	57	PRO	CG	C	27.407	0.062	1
787	1	57	PRO	CD	C	51.184	0.046	1
788	1	58	SER	H	H	8.382	0.005	1
789	1	58	SER	HA	H	4.509	0.000	1
790	1	58	SER	HB2	H	3.821	0.002	2
791	1	58	SER	HB3	H	3.931	0.001	2
792	1	58	SER	C	C	173.377	0.015	1
793	1	58	SER	CA	C	58.087	0.048	1
794	1	58	SER	CB	C	64.344	0.038	1
795	1	58	SER	N	N	116.245	0.024	1
796	1	59	SER	H	H	8.513	0.000	1
797	1	59	SER	HA	H	4.433	0.000	1
798	1	59	SER	HB2	H	3.984	0.005	2
799	1	59	SER	HB3	H	3.895	0.004	2
800	1	59	SER	C	C	173.606	0.024	1
801	1	59	SER	CA	C	59.181	0.062	1
802	1	59	SER	CB	C	63.441	0.038	1
803	1	59	SER	N	N	117.783	0.031	1
804	1	60	THR	H	H	7.930	0.000	1
805	1	60	THR	HA	H	4.723	0.000	1
806	1	60	THR	HB	H	4.216	0.003	1
807	1	60	THR	HG21	H	1.180	0.004	1
808	1	60	THR	HG22	H	1.180	0.004	1
809	1	60	THR	HG23	H	1.180	0.004	1
810	1	60	THR	C	C	175.219	0.000	1
811	1	60	THR	CA	C	59.331	0.016	1
812	1	60	THR	CB	C	69.814	0.007	1
813	1	60	THR	CG2	C	21.128	0.074	1
814	1	60	THR	N	N	115.844	0.033	1
815	1	61	PRO	HA	H	4.387	0.007	1
816	1	61	PRO	HB2	H	1.931	0.000	2
817	1	61	PRO	HB3	H	2.305	0.000	2
818	1	61	PRO	HG2	H	1.931	0.000	2
819	1	61	PRO	HG3	H	2.039	0.000	2
820	1	61	PRO	HD2	H	3.683	0.010	2
821	1	61	PRO	HD3	H	3.788	0.009	2
822	1	61	PRO	C	C	171.066	0.000	1
823	1	61	PRO	CA	C	64.079	0.076	1
824	1	61	PRO	CB	C	31.836	0.010	1
825	1	61	PRO	CG	C	27.623	0.000	1
826	1	61	PRO	CD	C	51.016	0.041	1
827	1	62	MET	H	H	8.334	0.000	1
828	1	62	MET	HA	H	4.458	0.000	1
829	1	62	MET	HB2	H	2.558	0.000	1
830	1	62	MET	HB3	H	2.558	0.000	1
831	1	62	MET	HG2	H	2.537	0.021	2
832	1	62	MET	HG3	H	2.571	0.013	2
833	1	62	MET	C	C	172.090	0.005	1
834	1	62	MET	CA	C	55.776	0.061	1
835	1	62	MET	CB	C	32.903	0.039	1
836	1	62	MET	CG	C	32.223	0.041	1
837	1	62	MET	N	N	118.942	0.025	1
838	1	63	VAL	H	H	8.044	0.000	1
839	1	63	VAL	HA	H	4.112	0.000	1
840	1	63	VAL	HB	H	2.068	0.002	1
841	1	63	VAL	HG11	H	0.956	0.005	1
842	1	63	VAL	HG12	H	0.956	0.005	1
843	1	63	VAL	HG13	H	0.956	0.005	1
844	1	63	VAL	HG21	H	0.956	0.005	1
845	1	63	VAL	HG22	H	0.956	0.005	1
846	1	63	VAL	HG23	H	0.956	0.005	1
847	1	63	VAL	C	C	171.395	0.004	1
848	1	63	VAL	CA	C	62.919	0.079	1
849	1	63	VAL	CB	C	32.654	0.079	1
850	1	63	VAL	CG1	C	20.949	0.029	1
851	1	63	VAL	CG2	C	20.949	0.029	1
852	1	63	VAL	N	N	120.894	0.033	1
853	1	64	GLY	H	H	8.518	0.004	1
854	1	64	GLY	HA2	H	3.991	0.005	1
855	1	64	GLY	HA3	H	3.991	0.005	1
856	1	64	GLY	C	C	173.974	0.014	1
857	1	64	GLY	CA	C	45.521	0.044	1
858	1	64	GLY	N	N	112.569	0.023	1
859	1	65	VAL	H	H	8.019	0.000	1
860	1	65	VAL	HA	H	4.263	0.000	1
861	1	65	VAL	HB	H	2.188	0.006	1
862	1	65	VAL	HG11	H	0.952	0.008	2
863	1	65	VAL	HG12	H	0.952	0.008	2
864	1	65	VAL	HG13	H	0.952	0.008	2
865	1	65	VAL	HG21	H	0.960	0.006	2
866	1	65	VAL	HG22	H	0.960	0.006	2
867	1	65	VAL	HG23	H	0.960	0.006	2
868	1	65	VAL	C	C	171.504	0.013	1
869	1	65	VAL	CA	C	62.122	0.062	1
870	1	65	VAL	CB	C	32.980	0.050	1
871	1	65	VAL	CG1	C	20.358	0.067	2
872	1	65	VAL	CG2	C	21.424	0.073	2
873	1	65	VAL	N	N	118.461	0.024	1
874	1	66	GLY	H	H	8.570	0.003	1
875	1	66	GLY	HA2	H	4.102	0.023	2
876	1	66	GLY	HA3	H	4.137	0.012	2
877	1	66	GLY	C	C	174.200	0.007	1
878	1	66	GLY	CA	C	45.174	0.020	1
879	1	66	GLY	N	N	112.576	0.027	1
880	1	67	GLY	H	H	8.273	0.000	1
881	1	67	GLY	HA2	H	4.370	0.000	2
882	1	67	GLY	HA3	H	4.095	0.000	2
883	1	67	GLY	C	C	175.934	0.006	1
884	1	67	GLY	CA	C	46.281	0.059	1
885	1	67	GLY	N	N	109.910	0.021	1
886	1	68	ILE	H	H	7.771	0.000	1
887	1	68	ILE	HA	H	4.841	0.000	1
888	1	68	ILE	HB	H	1.577	0.004	1
889	1	68	ILE	HG12	H	1.196	0.006	2
890	1	68	ILE	HG13	H	0.932	0.007	2
891	1	68	ILE	HG21	H	0.661	0.003	1
892	1	68	ILE	HG22	H	0.661	0.003	1
893	1	68	ILE	HG23	H	0.661	0.003	1
894	1	68	ILE	HD11	H	0.504	0.002	1
895	1	68	ILE	HD12	H	0.504	0.002	1
896	1	68	ILE	HD13	H	0.504	0.002	1
897	1	68	ILE	C	C	173.826	0.011	1
898	1	68	ILE	CA	C	58.904	0.063	1
899	1	68	ILE	CB	C	42.512	0.043	1
900	1	68	ILE	CG1	C	26.499	0.040	1
901	1	68	ILE	CG2	C	17.826	0.010	1
902	1	68	ILE	CD1	C	13.086	0.016	1
903	1	68	ILE	N	N	117.870	0.020	1
904	1	69	TYR	H	H	9.420	0.000	1
905	1	69	TYR	HA	H	4.880	0.000	1
906	1	69	TYR	HB2	H	2.762	0.009	2
907	1	69	TYR	HB3	H	2.430	0.006	2
908	1	69	TYR	HD1	H	7.193	0.001	1
909	1	69	TYR	HD2	H	7.193	0.001	1
910	1	69	TYR	HE1	H	6.938	0.000	1
911	1	69	TYR	HE2	H	6.938	0.000	1
912	1	69	TYR	C	C	173.415	0.001	1
913	1	69	TYR	CA	C	58.041	0.033	1
914	1	69	TYR	CB	C	38.968	0.074	1
915	1	69	TYR	CD1	C	133.934	0.000	1
916	1	69	TYR	CD2	C	133.934	0.000	1
917	1	69	TYR	CE1	C	118.320	0.000	1
918	1	69	TYR	CE2	C	118.320	0.000	1
919	1	69	TYR	N	N	122.535	0.019	1
920	1	70	VAL	H	H	8.855	0.005	1
921	1	70	VAL	HA	H	4.295	0.000	1
922	1	70	VAL	HB	H	1.876	0.003	1
923	1	70	VAL	HG11	H	0.560	0.004	1
924	1	70	VAL	HG12	H	0.560	0.004	1
925	1	70	VAL	HG13	H	0.560	0.004	1
926	1	70	VAL	HG21	H	0.785	0.003	1
927	1	70	VAL	HG22	H	0.785	0.003	1
928	1	70	VAL	HG23	H	0.785	0.003	1
929	1	70	VAL	C	C	173.265	0.008	1
930	1	70	VAL	CA	C	62.100	0.084	1
931	1	70	VAL	CB	C	32.714	0.101	1
932	1	70	VAL	CG1	C	21.107	0.038	2
933	1	70	VAL	CG2	C	21.059	0.022	2
934	1	70	VAL	N	N	124.761	0.013	1
935	1	71	VAL	H	H	9.191	0.005	1
936	1	71	VAL	HA	H	4.933	0.000	1
937	1	71	VAL	HB	H	1.728	0.002	1
938	1	71	VAL	HG11	H	0.568	0.005	2
939	1	71	VAL	HG12	H	0.568	0.005	2
940	1	71	VAL	HG13	H	0.568	0.005	2
941	1	71	VAL	HG21	H	0.572	0.007	2
942	1	71	VAL	HG22	H	0.572	0.007	2
943	1	71	VAL	HG23	H	0.572	0.007	2
944	1	71	VAL	C	C	173.675	0.000	1
945	1	71	VAL	CA	C	60.346	0.041	1
946	1	71	VAL	CB	C	32.670	0.065	1
947	1	71	VAL	CG1	C	20.984	0.014	2
948	1	71	VAL	CG2	C	20.987	0.012	2
949	1	71	VAL	N	N	129.382	0.035	1
950	1	72	LEU	H	H	8.927	0.004	1
951	1	72	LEU	HA	H	5.036	0.006	1
952	1	72	LEU	HB2	H	1.196	0.008	2
953	1	72	LEU	HB3	H	1.716	0.006	2
954	1	72	LEU	HG	H	1.513	0.004	1
955	1	72	LEU	HD11	H	0.722	0.005	1
956	1	72	LEU	HD12	H	0.722	0.005	1
957	1	72	LEU	HD13	H	0.722	0.005	1
958	1	72	LEU	HD21	H	0.799	0.003	1
959	1	72	LEU	HD22	H	0.799	0.003	1
960	1	72	LEU	HD23	H	0.799	0.003	1
961	1	72	LEU	C	C	171.715	0.000	1
962	1	72	LEU	CA	C	53.196	0.065	1
963	1	72	LEU	CB	C	43.104	0.047	1
964	1	72	LEU	CG	C	26.736	0.016	1
965	1	72	LEU	CD1	C	23.384	0.019	2
966	1	72	LEU	CD2	C	25.248	0.034	2
967	1	72	LEU	N	N	126.496	0.036	1
968	1	73	VAL	H	H	8.999	0.000	1
969	1	73	VAL	HA	H	5.089	0.000	1
970	1	73	VAL	HB	H	1.832	0.009	1
971	1	73	VAL	HG11	H	0.766	0.016	2
972	1	73	VAL	HG12	H	0.766	0.016	2
973	1	73	VAL	HG13	H	0.766	0.016	2
974	1	73	VAL	HG21	H	0.820	0.014	2
975	1	73	VAL	HG22	H	0.820	0.014	2
976	1	73	VAL	HG23	H	0.820	0.014	2
977	1	73	VAL	C	C	174.525	0.024	1
978	1	73	VAL	CA	C	59.593	0.033	1
979	1	73	VAL	CB	C	34.466	0.089	1
980	1	73	VAL	CG1	C	21.459	0.016	2
981	1	73	VAL	CG2	C	22.664	0.042	2
982	1	73	VAL	N	N	123.194	0.017	1
983	1	74	LYS	H	H	9.070	0.003	1
984	1	74	LYS	HA	H	5.502	0.000	1
985	1	74	LYS	HB2	H	1.551	0.001	2
986	1	74	LYS	HB3	H	1.635	0.003	2
987	1	74	LYS	HG2	H	1.005	0.005	1
988	1	74	LYS	HG3	H	1.005	0.005	1
989	1	74	LYS	HD2	H	1.509	0.000	1
990	1	74	LYS	HD3	H	1.509	0.000	1
991	1	74	LYS	HE2	H	2.790	0.001	1
992	1	74	LYS	HE3	H	2.790	0.001	1
993	1	74	LYS	C	C	173.748	0.000	1
994	1	74	LYS	CA	C	52.145	0.021	1
995	1	74	LYS	CB	C	36.111	0.051	1
996	1	74	LYS	CG	C	24.074	0.013	1
997	1	74	LYS	CD	C	29.808	0.000	1
998	1	74	LYS	CE	C	41.426	0.044	1
999	1	74	LYS	N	N	128.040	0.035	1
1000	1	75	PRO	HA	H	4.797	0.005	1
1001	1	75	PRO	HB2	H	1.993	0.006	2
1002	1	75	PRO	HB3	H	2.186	0.019	2
1003	1	75	PRO	HG2	H	1.779	0.006	2
1004	1	75	PRO	HG3	H	2.242	0.004	2
1005	1	75	PRO	HD2	H	4.473	0.002	2
1006	1	75	PRO	HD3	H	3.869	0.004	2
1007	1	75	PRO	C	C	170.679	0.000	1
1008	1	75	PRO	CA	C	62.746	0.035	1
1009	1	75	PRO	CB	C	33.976	0.085	1
1010	1	75	PRO	CG	C	28.355	0.026	1
1011	1	75	PRO	CD	C	51.691	0.023	1
1012	1	76	ARG	H	H	8.983	0.000	1
1013	1	76	ARG	HA	H	4.416	0.000	1
1014	1	76	ARG	HB2	H	2.000	0.004	2
1015	1	76	ARG	HB3	H	1.709	0.004	2
1016	1	76	ARG	HG2	H	1.576	0.006	1
1017	1	76	ARG	HG3	H	1.576	0.006	1
1018	1	76	ARG	HD2	H	3.022	0.016	2
1019	1	76	ARG	HD3	H	3.096	0.009	2
1020	1	76	ARG	HE	H	7.255	0.000	1
1021	1	76	ARG	C	C	172.339	0.003	1
1022	1	76	ARG	CA	C	56.477	0.031	1
1023	1	76	ARG	CB	C	31.997	0.039	1
1024	1	76	ARG	CG	C	27.753	0.047	1
1025	1	76	ARG	CD	C	43.316	0.012	1
1026	1	76	ARG	N	N	119.890	0.040	1
1027	1	76	ARG	NE	N	85.122	0.000	1
1028	1	77	LYS	H	H	7.400	0.000	1
1029	1	77	LYS	HA	H	4.717	0.000	1
1030	1	77	LYS	HB2	H	1.516	0.003	2
1031	1	77	LYS	HB3	H	1.954	0.001	2
1032	1	77	LYS	HG2	H	1.515	0.006	1
1033	1	77	LYS	HG3	H	1.515	0.006	1
1034	1	77	LYS	HD2	H	1.737	0.005	2
1035	1	77	LYS	HD3	H	1.651	0.000	2
1036	1	77	LYS	HE2	H	2.962	0.006	1
1037	1	77	LYS	HE3	H	2.962	0.006	1
1038	1	77	LYS	C	C	172.614	0.004	1
1039	1	77	LYS	CA	C	54.302	0.026	1
1040	1	77	LYS	CB	C	37.303	0.017	1
1041	1	77	LYS	CG	C	24.689	0.009	1
1042	1	77	LYS	CD	C	29.105	0.000	1
1043	1	77	LYS	CE	C	42.126	0.000	1
1044	1	77	LYS	N	N	116.068	0.021	1
1045	1	78	ARG	H	H	8.713	0.003	1
1046	1	78	ARG	HA	H	3.957	0.000	1
1047	1	78	ARG	HB2	H	1.740	0.000	2
1048	1	78	ARG	HB3	H	1.850	0.005	2
1049	1	78	ARG	HG2	H	1.505	0.001	2
1050	1	78	ARG	HG3	H	1.726	0.001	2
1051	1	78	ARG	HD2	H	3.232	0.000	1
1052	1	78	ARG	HD3	H	3.232	0.000	1
1053	1	78	ARG	HE	H	7.360	0.017	1
1054	1	78	ARG	C	C	171.453	0.007	1
1055	1	78	ARG	CA	C	57.233	0.035	1
1056	1	78	ARG	CB	C	31.639	0.058	1
1057	1	78	ARG	CG	C	29.148	0.043	1
1058	1	78	ARG	CD	C	43.697	0.039	1
1059	1	78	ARG	N	N	121.568	0.045	1
1060	1	78	ARG	NE	N	85.051	0.003	1
1061	1	79	GLY	H	H	9.002	0.000	1
1062	1	79	GLY	HA2	H	4.452	0.000	2
1063	1	79	GLY	HA3	H	3.637	0.003	2
1064	1	79	GLY	C	C	176.132	0.000	1
1065	1	79	GLY	CA	C	43.813	0.018	1
1066	1	79	GLY	N	N	109.974	0.027	1
1067	1	80	HIS	H	H	8.299	0.007	1
1068	1	80	HIS	HA	H	5.257	0.000	1
1069	1	80	HIS	HB2	H	3.016	0.002	1
1070	1	80	HIS	HB3	H	3.016	0.002	1
1071	1	80	HIS	HD2	H	7.017	0.015	1
1072	1	80	HIS	C	C	174.060	0.000	1
1073	1	80	HIS	CA	C	54.226	0.015	1
1074	1	80	HIS	CB	C	28.370	0.081	1
1075	1	80	HIS	CD2	C	119.215	0.000	1
1076	1	80	HIS	N	N	118.061	0.019	1
1077	1	81	HIS	H	H	8.786	0.000	1
1078	1	81	HIS	HA	H	5.277	0.000	1
1079	1	81	HIS	HB2	H	3.123	0.003	2
1080	1	81	HIS	HB3	H	2.527	0.003	2
1081	1	81	HIS	HD2	H	6.579	0.025	1
1082	1	81	HIS	C	C	173.471	0.004	1
1083	1	81	HIS	CA	C	54.344	0.053	1
1084	1	81	HIS	CB	C	34.690	0.073	1
1085	1	81	HIS	CD2	C	118.386	0.000	1
1086	1	81	HIS	N	N	122.370	0.028	1
1087	1	82	THR	H	H	9.192	0.000	1
1088	1	82	THR	HA	H	4.865	0.000	1
1089	1	82	THR	HB	H	3.870	0.001	1
1090	1	82	THR	HG21	H	0.685	0.002	1
1091	1	82	THR	HG22	H	0.685	0.002	1
1092	1	82	THR	HG23	H	0.685	0.002	1
1093	1	82	THR	C	C	175.338	0.002	1
1094	1	82	THR	CA	C	61.795	0.053	1
1095	1	82	THR	CB	C	70.720	0.069	1
1096	1	82	THR	CG2	C	22.334	0.020	1
1097	1	82	THR	N	N	118.591	0.024	1
1098	1	83	LEU	H	H	9.219	0.005	1
1099	1	83	LEU	HA	H	4.442	0.000	1
1100	1	83	LEU	HB2	H	1.001	0.006	2
1101	1	83	LEU	HB3	H	1.983	0.006	2
1102	1	83	LEU	HG	H	1.358	0.003	1
1103	1	83	LEU	HD11	H	0.752	0.000	1
1104	1	83	LEU	HD12	H	0.752	0.000	1
1105	1	83	LEU	HD13	H	0.752	0.000	1
1106	1	83	LEU	HD21	H	0.754	0.015	1
1107	1	83	LEU	HD22	H	0.754	0.015	1
1108	1	83	LEU	HD23	H	0.754	0.015	1
1109	1	83	LEU	C	C	174.888	0.009	1
1110	1	83	LEU	CA	C	53.108	0.041	1
1111	1	83	LEU	CB	C	43.496	0.045	1
1112	1	83	LEU	CG	C	27.563	0.024	1
1113	1	83	LEU	CD1	C	23.704	0.000	2
1114	1	83	LEU	CD2	C	27.589	0.001	2
1115	1	83	LEU	N	N	128.376	0.026	1
1116	1	84	GLU	H	H	8.675	0.002	1
1117	1	84	GLU	HA	H	4.884	0.000	1
1118	1	84	GLU	HB3	H	2.007	0.000	1
1119	1	84	GLU	HG2	H	2.005	0.006	2
1120	1	84	GLU	HG3	H	2.147	0.000	2
1121	1	84	GLU	C	C	173.159	0.010	1
1122	1	84	GLU	CA	C	55.703	0.038	1
1123	1	84	GLU	CB	C	30.820	0.049	1
1124	1	84	GLU	CG	C	36.526	0.031	1
1125	1	84	GLU	N	N	127.696	0.064	1
1126	1	85	LEU	H	H	9.194	0.000	1
1127	1	85	LEU	HA	H	5.667	0.000	1
1128	1	85	LEU	HB2	H	1.755	0.001	2
1129	1	85	LEU	HB3	H	2.257	0.007	2
1130	1	85	LEU	HG	H	1.551	0.004	1
1131	1	85	LEU	HD11	H	0.563	0.002	2
1132	1	85	LEU	HD12	H	0.563	0.002	2
1133	1	85	LEU	HD13	H	0.563	0.002	2
1134	1	85	LEU	HD21	H	0.664	0.004	2
1135	1	85	LEU	HD22	H	0.664	0.004	2
1136	1	85	LEU	HD23	H	0.664	0.004	2
1137	1	85	LEU	C	C	171.392	0.006	1
1138	1	85	LEU	CA	C	53.053	0.029	1
1139	1	85	LEU	CB	C	44.628	0.019	1
1140	1	85	LEU	CG	C	27.396	0.031	1
1141	1	85	LEU	CD1	C	26.853	0.020	2
1142	1	85	LEU	CD2	C	22.757	0.032	2
1143	1	85	LEU	N	N	124.149	0.035	1
1144	1	86	VAL	H	H	9.415	0.000	1
1145	1	86	VAL	HA	H	5.194	0.000	1
1146	1	86	VAL	HB	H	1.802	0.009	1
1147	1	86	VAL	HG11	H	0.744	0.004	2
1148	1	86	VAL	HG12	H	0.744	0.004	2
1149	1	86	VAL	HG13	H	0.744	0.004	2
1150	1	86	VAL	HG21	H	0.895	0.003	2
1151	1	86	VAL	HG22	H	0.895	0.003	2
1152	1	86	VAL	HG23	H	0.895	0.003	2
1153	1	86	VAL	C	C	177.784	0.003	1
1154	1	86	VAL	CA	C	59.660	0.039	1
1155	1	86	VAL	CB	C	35.389	0.117	1
1156	1	86	VAL	CG1	C	22.549	0.023	2
1157	1	86	VAL	CG2	C	19.431	0.016	2
1158	1	86	VAL	N	N	121.196	0.029	1
1159	1	87	TYR	H	H	8.116	0.000	1
1160	1	87	TYR	HA	H	4.383	0.000	1
1161	1	87	TYR	HB2	H	2.217	0.002	2
1162	1	87	TYR	HB3	H	-0.192	0.008	2
1163	1	87	TYR	HD1	H	5.740	0.020	1
1164	1	87	TYR	HD2	H	5.740	0.020	1
1165	1	87	TYR	HE1	H	6.091	0.000	1
1166	1	87	TYR	HE2	H	6.091	0.000	1
1167	1	87	TYR	C	C	173.269	0.000	1
1168	1	87	TYR	CA	C	54.839	0.032	1
1169	1	87	TYR	CB	C	36.439	0.061	1
1170	1	87	TYR	CD1	C	132.453	0.000	1
1171	1	87	TYR	CD2	C	132.453	0.000	1
1172	1	87	TYR	CE1	C	116.757	0.000	1
1173	1	87	TYR	CE2	C	116.757	0.000	1
1174	1	87	TYR	N	N	132.247	0.021	1
1175	1	88	THR	H	H	8.205	0.000	1
1176	1	88	THR	HA	H	4.568	0.000	1
1177	1	88	THR	HB	H	3.467	0.003	1
1178	1	88	THR	HG21	H	0.654	0.003	1
1179	1	88	THR	HG22	H	0.654	0.003	1
1180	1	88	THR	HG23	H	0.654	0.003	1
1181	1	88	THR	C	C	176.554	0.013	1
1182	1	88	THR	CA	C	60.308	0.047	1
1183	1	88	THR	CB	C	71.050	0.052	1
1184	1	88	THR	CG2	C	18.875	0.026	1
1185	1	88	THR	N	N	120.313	0.021	1
1186	1	89	ARG	H	H	8.203	0.000	1
1187	1	89	ARG	HA	H	4.723	0.000	1
1188	1	89	ARG	HB2	H	1.178	0.006	2
1189	1	89	ARG	HB3	H	0.930	0.002	2
1190	1	89	ARG	HG2	H	0.162	0.002	2
1191	1	89	ARG	HG3	H	0.304	0.006	2
1192	1	89	ARG	HD2	H	2.575	0.006	2
1193	1	89	ARG	HD3	H	2.692	0.006	2
1194	1	89	ARG	HE	H	6.421	0.000	1
1195	1	89	ARG	C	C	172.362	0.000	1
1196	1	89	ARG	CA	C	52.529	0.017	1
1197	1	89	ARG	CB	C	30.185	0.040	1
1198	1	89	ARG	CG	C	25.257	0.062	1
1199	1	89	ARG	CD	C	44.133	0.025	1
1200	1	89	ARG	N	N	125.865	0.026	1
1201	1	89	ARG	NE	N	84.116	0.000	1
1202	1	90	PRO	HA	H	3.836	0.002	1
1203	1	90	PRO	HB2	H	1.889	0.002	2
1204	1	90	PRO	HB3	H	2.096	0.015	2
1205	1	90	PRO	HG2	H	2.135	0.005	2
1206	1	90	PRO	HG3	H	1.720	0.008	2
1207	1	90	PRO	HD2	H	4.061	0.004	2
1208	1	90	PRO	HD3	H	3.769	0.003	2
1209	1	90	PRO	C	C	171.083	0.000	1
1210	1	90	PRO	CA	C	65.608	0.043	1
1211	1	90	PRO	CB	C	32.022	0.020	1
1212	1	90	PRO	CG	C	27.887	0.048	1
1213	1	90	PRO	CD	C	51.201	0.078	1
1214	1	91	PHE	H	H	7.794	0.000	1
1215	1	91	PHE	HA	H	4.369	0.000	1
1216	1	91	PHE	HB2	H	3.161	0.002	2
1217	1	91	PHE	HB3	H	3.040	0.001	2
1218	1	91	PHE	HD1	H	7.187	0.020	1
1219	1	91	PHE	HD2	H	7.187	0.020	1
1220	1	91	PHE	HE1	H	7.256	0.005	1
1221	1	91	PHE	HE2	H	7.256	0.005	1
1222	1	91	PHE	C	C	172.285	0.003	1
1223	1	91	PHE	CA	C	58.796	0.079	1
1224	1	91	PHE	CB	C	37.594	0.047	1
1225	1	91	PHE	CD1	C	131.829	0.000	1
1226	1	91	PHE	CD2	C	131.829	0.000	1
1227	1	91	PHE	N	N	112.374	0.029	1
1228	1	92	GLU	H	H	7.060	0.000	1
1229	1	92	GLU	HA	H	4.266	0.000	1
1230	1	92	GLU	HB2	H	1.747	0.008	2
1231	1	92	GLU	HB3	H	1.748	0.008	2
1232	1	92	GLU	HG2	H	2.075	0.007	2
1233	1	92	GLU	HG3	H	2.074	0.006	2
1234	1	92	GLU	C	C	171.165	0.002	1
1235	1	92	GLU	CA	C	56.028	0.041	1
1236	1	92	GLU	CB	C	31.178	0.156	1
1237	1	92	GLU	CG	C	36.041	0.001	1
1238	1	92	GLU	N	N	118.812	0.026	1
1239	1	93	GLY	H	H	7.383	0.000	1
1240	1	93	GLY	HA2	H	4.171	0.000	2
1241	1	93	GLY	HA3	H	3.510	0.000	2
1242	1	93	GLY	C	C	176.700	0.007	1
1243	1	93	GLY	CA	C	43.848	0.043	1
1244	1	93	GLY	N	N	107.783	0.015	1
1245	1	94	ILE	H	H	7.987	0.000	1
1246	1	94	ILE	HA	H	3.968	0.000	1
1247	1	94	ILE	HB	H	1.617	0.003	1
1248	1	94	ILE	HG12	H	1.025	0.003	2
1249	1	94	ILE	HG13	H	1.687	0.004	2
1250	1	94	ILE	HG21	H	0.813	0.004	1
1251	1	94	ILE	HG22	H	0.813	0.004	1
1252	1	94	ILE	HG23	H	0.813	0.004	1
1253	1	94	ILE	HD11	H	0.927	0.001	1
1254	1	94	ILE	HD12	H	0.927	0.001	1
1255	1	94	ILE	HD13	H	0.927	0.001	1
1256	1	94	ILE	C	C	171.190	0.002	1
1257	1	94	ILE	CA	C	62.299	0.087	1
1258	1	94	ILE	CB	C	37.922	0.047	1
1259	1	94	ILE	CG1	C	28.550	0.061	1
1260	1	94	ILE	CG2	C	17.303	0.014	1
1261	1	94	ILE	CD1	C	14.476	0.037	1
1262	1	94	ILE	N	N	117.047	0.043	1
1263	1	95	LYS	H	H	7.742	0.000	1
1264	1	95	LYS	HA	H	4.888	0.000	1
1265	1	95	LYS	HB2	H	2.084	0.005	2
1266	1	95	LYS	HB3	H	1.497	0.009	2
1267	1	95	LYS	HG2	H	1.440	0.004	1
1268	1	95	LYS	HG3	H	1.440	0.004	1
1269	1	95	LYS	HD2	H	1.614	0.000	1
1270	1	95	LYS	HD3	H	1.614	0.000	1
1271	1	95	LYS	HE2	H	2.844	0.007	1
1272	1	95	LYS	HE3	H	2.844	0.007	1
1273	1	95	LYS	C	C	171.887	0.000	1
1274	1	95	LYS	CA	C	51.970	0.002	1
1275	1	95	LYS	CB	C	33.430	0.064	1
1276	1	95	LYS	CG	C	23.768	0.043	1
1277	1	95	LYS	CD	C	28.529	0.000	1
1278	1	95	LYS	CE	C	42.247	0.000	1
1279	1	95	LYS	N	N	128.105	0.023	1
1280	1	96	PRO	HA	H	4.241	0.003	1
1281	1	96	PRO	HB2	H	1.915	0.011	2
1282	1	96	PRO	HB3	H	2.388	0.010	2
1283	1	96	PRO	HG2	H	2.182	0.002	2
1284	1	96	PRO	HG3	H	2.015	0.004	2
1285	1	96	PRO	HD2	H	3.867	0.005	2
1286	1	96	PRO	HD3	H	3.797	0.001	2
1287	1	96	PRO	C	C	170.708	0.000	1
1288	1	96	PRO	CA	C	65.344	0.036	1
1289	1	96	PRO	CB	C	31.937	0.083	1
1290	1	96	PRO	CG	C	27.567	0.037	1
1291	1	96	PRO	CD	C	50.819	0.054	1
1292	1	97	GLU	H	H	8.853	0.000	1
1293	1	97	GLU	HA	H	4.227	0.000	1
1294	1	97	GLU	HB2	H	2.055	0.024	2
1295	1	97	GLU	HB3	H	2.082	0.003	2
1296	1	97	GLU	HG2	H	2.284	0.003	1
1297	1	97	GLU	HG3	H	2.284	0.003	1
1298	1	97	GLU	C	C	170.808	0.019	1
1299	1	97	GLU	CA	C	57.344	0.069	1
1300	1	97	GLU	CB	C	28.557	0.044	1
1301	1	97	GLU	CG	C	36.193	0.037	1
1302	1	97	GLU	N	N	112.799	0.018	1
1303	1	98	ASN	H	H	7.780	0.000	1
1304	1	98	ASN	HA	H	4.854	0.000	1
1305	1	98	ASN	HB2	H	3.076	0.002	2
1306	1	98	ASN	HB3	H	2.582	0.007	2
1307	1	98	ASN	HD21	H	8.309	0.005	2
1308	1	98	ASN	HD22	H	7.771	0.000	2
1309	1	98	ASN	C	C	172.206	0.002	1
1310	1	98	ASN	CA	C	53.639	0.046	1
1311	1	98	ASN	CB	C	40.077	0.065	1
1312	1	98	ASN	N	N	119.485	0.027	1
1313	1	98	ASN	ND2	N	111.605	0.010	1
1314	1	99	GLU	H	H	9.213	0.000	1
1315	1	99	GLU	HA	H	4.200	0.000	1
1316	1	99	GLU	HB2	H	2.043	0.004	2
1317	1	99	GLU	HB3	H	1.973	0.001	2
1318	1	99	GLU	HG2	H	2.451	0.014	2
1319	1	99	GLU	HG3	H	2.486	0.008	2
1320	1	99	GLU	C	C	173.482	0.008	1
1321	1	99	GLU	CA	C	57.456	0.035	1
1322	1	99	GLU	CB	C	30.021	0.066	1
1323	1	99	GLU	CG	C	36.261	0.017	1
1324	1	99	GLU	N	N	125.576	0.037	1
1325	1	100	ARG	H	H	8.506	0.000	1
1326	1	100	ARG	HA	H	5.371	0.000	1
1327	1	100	ARG	HB2	H	2.108	0.008	2
1328	1	100	ARG	HB3	H	1.762	0.005	2
1329	1	100	ARG	HG2	H	1.720	0.009	2
1330	1	100	ARG	HG3	H	1.754	0.016	2
1331	1	100	ARG	HD2	H	3.169	0.003	1
1332	1	100	ARG	HD3	H	3.169	0.003	1
1333	1	100	ARG	HE	H	7.182	0.007	1
1334	1	100	ARG	C	C	171.881	0.015	1
1335	1	100	ARG	CA	C	54.347	0.034	1
1336	1	100	ARG	CB	C	34.971	0.029	1
1337	1	100	ARG	CG	C	28.375	0.025	1
1338	1	100	ARG	CD	C	43.313	0.017	1
1339	1	100	ARG	N	N	120.506	0.049	1
1340	1	100	ARG	NE	N	85.769	0.020	1
1341	1	101	TYR	H	H	8.461	0.007	1
1342	1	101	TYR	HA	H	4.697	0.000	1
1343	1	101	TYR	HB2	H	2.678	0.003	2
1344	1	101	TYR	HB3	H	2.544	0.009	2
1345	1	101	TYR	HD1	H	6.725	0.023	1
1346	1	101	TYR	HD2	H	6.725	0.023	1
1347	1	101	TYR	HE1	H	6.487	0.000	1
1348	1	101	TYR	HE2	H	6.487	0.000	1
1349	1	101	TYR	C	C	174.202	0.000	1
1350	1	101	TYR	CA	C	59.057	0.074	1
1351	1	101	TYR	CB	C	42.637	0.073	1
1352	1	101	TYR	CD1	C	132.543	0.000	1
1353	1	101	TYR	CD2	C	132.543	0.000	1
1354	1	101	TYR	CE1	C	117.816	0.000	1
1355	1	101	TYR	CE2	C	117.816	0.000	1
1356	1	101	TYR	N	N	122.773	0.046	1
1357	1	102	THR	H	H	7.971	0.000	1
1358	1	102	THR	HA	H	4.984	0.000	1
1359	1	102	THR	HB	H	3.717	0.002	1
1360	1	102	THR	HG21	H	0.480	0.005	1
1361	1	102	THR	HG22	H	0.480	0.005	1
1362	1	102	THR	HG23	H	0.480	0.005	1
1363	1	102	THR	C	C	176.861	0.011	1
1364	1	102	THR	CA	C	61.355	0.036	1
1365	1	102	THR	CB	C	70.081	0.020	1
1366	1	102	THR	CG2	C	21.918	0.083	1
1367	1	102	THR	N	N	125.193	0.050	1
1368	1	103	LEU	H	H	8.727	0.003	1
1369	1	103	LEU	HA	H	4.719	0.000	1
1370	1	103	LEU	HB2	H	1.806	0.001	2
1371	1	103	LEU	HB3	H	1.265	0.010	2
1372	1	103	LEU	HG	H	1.269	0.008	1
1373	1	103	LEU	HD11	H	0.825	0.016	2
1374	1	103	LEU	HD12	H	0.825	0.016	2
1375	1	103	LEU	HD13	H	0.825	0.016	2
1376	1	103	LEU	HD21	H	0.864	0.012	2
1377	1	103	LEU	HD22	H	0.864	0.012	2
1378	1	103	LEU	HD23	H	0.864	0.012	2
1379	1	103	LEU	C	C	174.114	0.002	1
1380	1	103	LEU	CA	C	52.369	0.079	1
1381	1	103	LEU	CB	C	45.950	0.041	1
1382	1	103	LEU	CG	C	27.530	0.000	1
1383	1	103	LEU	CD1	C	26.809	0.000	2
1384	1	103	LEU	CD2	C	23.396	0.000	2
1385	1	103	LEU	N	N	127.272	0.035	1
1386	1	104	HIS	H	H	9.165	0.005	1
1387	1	104	HIS	HA	H	4.538	0.000	1
1388	1	104	HIS	HB2	H	2.277	0.004	2
1389	1	104	HIS	HB3	H	2.018	0.007	2
1390	1	104	HIS	HD2	H	6.014	0.027	1
1391	1	104	HIS	C	C	174.585	0.025	1
1392	1	104	HIS	CA	C	54.208	0.056	1
1393	1	104	HIS	CB	C	27.396	0.077	1
1394	1	104	HIS	CD2	C	120.251	0.000	1
1395	1	104	HIS	N	N	126.676	0.015	1
1396	1	105	LEU	H	H	9.090	0.003	1
1397	1	105	LEU	HA	H	4.963	0.000	1
1398	1	105	LEU	HB2	H	1.667	0.003	2
1399	1	105	LEU	HB3	H	1.187	0.005	2
1400	1	105	LEU	HG	H	1.368	0.004	1
1401	1	105	LEU	HD11	H	0.748	0.002	2
1402	1	105	LEU	HD12	H	0.748	0.002	2
1403	1	105	LEU	HD13	H	0.748	0.002	2
1404	1	105	LEU	HD21	H	0.746	0.006	2
1405	1	105	LEU	HD22	H	0.746	0.006	2
1406	1	105	LEU	HD23	H	0.746	0.006	2
1407	1	105	LEU	C	C	173.749	0.008	1
1408	1	105	LEU	CA	C	54.711	0.042	1
1409	1	105	LEU	CB	C	44.116	0.050	1
1410	1	105	LEU	CG	C	27.379	0.064	1
1411	1	105	LEU	CD1	C	25.609	0.072	2
1412	1	105	LEU	CD2	C	27.100	0.008	2
1413	1	105	LEU	N	N	123.906	0.047	1
1414	1	106	ASN	H	H	9.109	0.003	1
1415	1	106	ASN	HA	H	4.784	0.000	1
1416	1	106	ASN	HB2	H	3.366	0.003	2
1417	1	106	ASN	HB3	H	2.748	0.004	2
1418	1	106	ASN	HD21	H	7.673	0.000	2
1419	1	106	ASN	HD22	H	6.667	0.003	2
1420	1	106	ASN	C	C	174.380	0.000	1
1421	1	106	ASN	CA	C	52.087	0.040	1
1422	1	106	ASN	CB	C	37.591	0.007	1
1423	1	106	ASN	N	N	124.436	0.028	1
1424	1	106	ASN	ND2	N	110.825	0.039	1
1425	1	107	VAL	H	H	8.768	0.004	1
1426	1	107	VAL	HA	H	3.755	0.000	1
1427	1	107	VAL	HB	H	2.650	0.006	1
1428	1	107	VAL	HG11	H	0.821	0.005	1
1429	1	107	VAL	HG12	H	0.821	0.005	1
1430	1	107	VAL	HG13	H	0.821	0.005	1
1431	1	107	VAL	HG21	H	0.890	0.003	1
1432	1	107	VAL	HG22	H	0.890	0.003	1
1433	1	107	VAL	HG23	H	0.890	0.003	1
1434	1	107	VAL	C	C	172.506	0.003	1
1435	1	107	VAL	CA	C	62.450	0.052	1
1436	1	107	VAL	CB	C	30.955	0.096	1
1437	1	107	VAL	CG1	C	21.333	0.052	2
1438	1	107	VAL	CG2	C	23.430	0.098	2
1439	1	107	VAL	N	N	124.842	0.044	1
1440	1	108	LYS	H	H	8.356	0.000	1
1441	1	108	LYS	HA	H	4.268	0.000	1
1442	1	108	LYS	HB2	H	1.479	0.004	2
1443	1	108	LYS	HB3	H	1.906	0.002	2
1444	1	108	LYS	HG2	H	1.334	0.016	2
1445	1	108	LYS	HG3	H	1.362	0.012	2
1446	1	108	LYS	HD2	H	1.628	0.000	1
1447	1	108	LYS	HD3	H	1.628	0.000	1
1448	1	108	LYS	HE2	H	2.920	0.001	1
1449	1	108	LYS	HE3	H	2.920	0.001	1
1450	1	108	LYS	C	C	167.212	0.000	1
1451	1	108	LYS	CA	C	57.752	0.019	1
1452	1	108	LYS	CB	C	34.105	0.026	1
1453	1	108	LYS	CG	C	25.351	0.022	1
1454	1	108	LYS	CD	C	29.230	0.000	1
1455	1	108	LYS	CE	C	42.213	0.000	1
1456	1	108	LYS	N	N	136.358	0.033	1

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	methyl protons	4.808615 ppm	null	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	methyl protons	4.808615 ppm	null	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	methyl protons	4.808615 ppm	null	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	methyl protons	4.808615 ppm	null	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 3.07 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 38 models in PDB: 2C34, Strand ID: A Detail

Release date

2006-04-10

Citation 1

Chemical shift assignments of Leishmania mexicana ICP, a novel cysteine peptidase inhibitor
Smith, B.O., Westrop, G.D., Mottram, J.C., Coombs, G.H.
J. Biomol. NMR (2006), 36 Suppl 1, 7-7, PubMed 16596344 , DOI 10.1007/s10858-005-4739-8 , Abstract

Show more 1 citaion

Citation 2

Functional conservation of a natural cystein peptidase inhibitor in protozoan and bacterial pathogens
Sanderson, S.J., Westrop, G.D., Scharfstein, J., Mottram, J.C., Coombs, G.H.
FEBS Lett. (2003), 542, 12-16, PubMed , DOI:

Hide non-primary 1 citaion

Related entities 1. LM ICP residues 6 to 113, : 9 entities Detail

Experiments performed 10 experiments Detail

1 CBCACONH