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BMRB: 34176

6EHZ

NMR solution structure of murine CXCL12 gamma isoform

Authors

Laguri, C., Lortat-Jacob, H., SImorre, J.P.

Assembly

Stromal cell-derived factor 1

Entity

1. Stromal cell-derived factor 1 (polymer, Thiol state: all disulfide bound), 98 monomers, 11579.65 Da Detail

KPVSLSYRCP CRFFESHIAR ANVKHLKILN TPNCALQIVA RLKNNNRQVC IDPKLKWIQE YLEKALNKGR REEKVGKKEK IGKKKRQKKR KAAQKRKN

Formula weight

11579.65 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS34:SG
2	disulfide	sing	1:CYS11:SG	1:CYS50:SG

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 545, ¹³C: 373, ¹⁵N: 103 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	2	PRO	HA	H	4.450	0.000
2	1	2	PRO	HB2	H	2.271	0.000
3	1	2	PRO	HB3	H	1.871	0.000
4	1	2	PRO	HG2	H	2.012	0.000
5	1	2	PRO	HD2	H	3.626	0.000
6	1	2	PRO	HD3	H	3.848	0.000
7	1	2	PRO	C	C	176.881	0.000
8	1	2	PRO	CA	C	63.042	0.000
9	1	2	PRO	CB	C	32.110	0.000
10	1	2	PRO	CG	C	27.462	0.000
11	1	2	PRO	CD	C	50.786	0.000
12	1	3	VAL	H	H	8.251	0.003
13	1	3	VAL	HA	H	4.074	0.000
14	1	3	VAL	HB	H	2.038	0.000
15	1	3	VAL	HG11	H	0.934	0.000
16	1	3	VAL	HG12	H	0.934	0.000
17	1	3	VAL	HG13	H	0.934	0.000
18	1	3	VAL	C	C	176.295	0.000
19	1	3	VAL	CA	C	62.343	0.000
20	1	3	VAL	CB	C	32.865	0.000
21	1	3	VAL	CG1	C	20.441	0.000
22	1	3	VAL	N	N	120.720	0.023
23	1	4	SER	H	H	8.309	0.003
24	1	4	SER	HA	H	4.431	0.000
25	1	4	SER	HB2	H	3.806	0.000
26	1	4	SER	C	C	174.490	0.000
27	1	4	SER	CA	C	57.995	0.000
28	1	4	SER	CB	C	63.779	0.000
29	1	4	SER	N	N	119.258	0.012
30	1	5	LEU	H	H	8.312	0.005
31	1	5	LEU	HA	H	4.340	0.000
32	1	5	LEU	HB2	H	1.582	0.000
33	1	5	LEU	HB3	H	1.490	0.000
34	1	5	LEU	HG	H	1.500	0.000
35	1	5	LEU	HD11	H	0.887	0.000
36	1	5	LEU	HD12	H	0.887	0.000
37	1	5	LEU	HD13	H	0.887	0.000
38	1	5	LEU	HD21	H	0.832	0.000
39	1	5	LEU	HD22	H	0.832	0.000
40	1	5	LEU	HD23	H	0.832	0.000
41	1	5	LEU	C	C	177.201	0.000
42	1	5	LEU	CA	C	55.254	0.000
43	1	5	LEU	CB	C	42.356	0.000
44	1	5	LEU	CG	C	27.023	0.000
45	1	5	LEU	CD1	C	24.885	0.067
46	1	5	LEU	CD2	C	23.327	0.022
47	1	5	LEU	N	N	124.874	0.034
48	1	6	SER	H	H	8.152	0.004
49	1	6	SER	HA	H	4.364	0.000
50	1	6	SER	HB2	H	3.761	0.000
51	1	6	SER	C	C	174.168	0.000
52	1	6	SER	CA	C	58.252	0.000
53	1	6	SER	CB	C	63.779	0.000
54	1	6	SER	N	N	115.991	0.020
55	1	7	TYR	H	H	8.001	0.010
56	1	7	TYR	HA	H	4.526	0.005
57	1	7	TYR	HB2	H	3.030	0.004
58	1	7	TYR	HB3	H	2.900	0.007
59	1	7	TYR	HD1	H	7.086	0.007
60	1	7	TYR	HD2	H	7.086	0.007
61	1	7	TYR	HE1	H	6.809	0.000
62	1	7	TYR	HE2	H	6.809	0.000
63	1	7	TYR	C	C	175.538	0.000
64	1	7	TYR	CA	C	57.807	0.000
65	1	7	TYR	CB	C	38.811	0.005
66	1	7	TYR	CD1	C	133.391	0.025
67	1	7	TYR	CD2	C	133.391	0.025
68	1	7	TYR	CE1	C	118.790	0.000
69	1	7	TYR	CE2	C	118.790	0.000
70	1	7	TYR	N	N	122.024	0.054
71	1	8	ARG	H	H	8.135	0.008
72	1	8	ARG	HA	H	4.326	0.000
73	1	8	ARG	HB2	H	1.763	0.000
74	1	8	ARG	HB3	H	1.676	0.001
75	1	8	ARG	HG2	H	1.408	0.000
76	1	8	ARG	HG3	H	1.507	0.000
77	1	8	ARG	HD2	H	3.131	0.000
78	1	8	ARG	HD3	H	2.981	0.000
79	1	8	ARG	C	C	175.879	0.000
80	1	8	ARG	CA	C	56.006	0.000
81	1	8	ARG	CB	C	30.846	0.000
82	1	8	ARG	CG	C	27.053	0.000
83	1	8	ARG	CD	C	43.324	0.000
84	1	8	ARG	N	N	122.002	0.072
85	1	9	CYS	H	H	8.111	0.002
86	1	9	CYS	HA	H	4.929	0.000
87	1	9	CYS	HB2	H	2.699	0.000
88	1	9	CYS	HB3	H	3.205	0.000
89	1	9	CYS	CA	C	52.982	0.000
90	1	9	CYS	CB	C	40.019	0.000
91	1	9	CYS	N	N	120.968	0.031
92	1	10	PRO	HA	H	4.296	0.000
93	1	10	PRO	HB2	H	2.287	0.000
94	1	10	PRO	HB3	H	1.878	0.000
95	1	10	PRO	HG2	H	2.033	0.000
96	1	10	PRO	HD2	H	3.842	0.000
97	1	10	PRO	C	C	177.600	0.000
98	1	10	PRO	CA	C	64.841	0.000
99	1	10	PRO	CB	C	32.164	0.000
100	1	10	PRO	CG	C	27.457	0.000
101	1	10	PRO	CD	C	51.069	0.000
102	1	11	CYS	H	H	8.252	0.002
103	1	11	CYS	HA	H	4.874	0.000
104	1	11	CYS	HB2	H	2.723	0.000
105	1	11	CYS	HB3	H	2.916	0.000
106	1	11	CYS	C	C	174.199	0.000
107	1	11	CYS	CA	C	53.466	0.000
108	1	11	CYS	CB	C	40.398	0.000
109	1	11	CYS	N	N	114.311	0.009
110	1	12	ARG	H	H	8.301	0.004
111	1	12	ARG	HA	H	4.035	0.000
112	1	12	ARG	HB2	H	1.560	0.000
113	1	12	ARG	HG2	H	1.202	0.000
114	1	12	ARG	HG3	H	1.291	0.000
115	1	12	ARG	HD2	H	2.967	0.000
116	1	12	ARG	C	C	175.011	0.000
117	1	12	ARG	CA	C	57.022	0.000
118	1	12	ARG	CB	C	31.148	0.000
119	1	12	ARG	CG	C	26.825	0.000
120	1	12	ARG	CD	C	43.163	0.000
121	1	12	ARG	N	N	122.268	0.028
122	1	13	PHE	H	H	7.524	0.005
123	1	13	PHE	HA	H	4.537	0.000
124	1	13	PHE	HB2	H	2.822	0.000
125	1	13	PHE	HB3	H	3.089	0.008
126	1	13	PHE	HD1	H	7.324	0.001
127	1	13	PHE	HD2	H	7.324	0.001
128	1	13	PHE	HE1	H	7.181	0.002
129	1	13	PHE	HE2	H	7.181	0.002
130	1	13	PHE	C	C	174.067	0.000
131	1	13	PHE	CA	C	55.879	0.000
132	1	13	PHE	CB	C	40.921	0.000
133	1	13	PHE	CD2	C	133.124	0.084
134	1	13	PHE	CE2	C	131.474	0.107
135	1	13	PHE	N	N	116.295	0.006
136	1	14	PHE	H	H	8.265	0.004
137	1	14	PHE	HA	H	4.769	0.000
138	1	14	PHE	HB2	H	2.756	0.011
139	1	14	PHE	HD1	H	7.266	0.018
140	1	14	PHE	HD2	H	7.266	0.018
141	1	14	PHE	HE1	H	6.984	0.003
142	1	14	PHE	HE2	H	6.984	0.003
143	1	14	PHE	C	C	175.023	0.000
144	1	14	PHE	CA	C	55.618	0.000
145	1	14	PHE	CB	C	41.077	0.000
146	1	14	PHE	CD1	C	131.989	0.000
147	1	14	PHE	CE1	C	131.223	0.030
148	1	14	PHE	N	N	119.606	0.036
149	1	15	GLU	H	H	8.898	0.002
150	1	15	GLU	HA	H	4.589	0.000
151	1	15	GLU	HB2	H	2.161	0.000
152	1	15	GLU	HB3	H	1.952	0.000
153	1	15	GLU	HG2	H	2.424	0.000
154	1	15	GLU	HG3	H	2.245	0.000
155	1	15	GLU	C	C	176.560	0.000
156	1	15	GLU	CA	C	55.817	0.000
157	1	15	GLU	CB	C	31.157	0.000
158	1	15	GLU	CG	C	36.194	0.000
159	1	15	GLU	N	N	121.874	0.027
160	1	16	SER	H	H	8.796	0.002
161	1	16	SER	HA	H	4.783	0.000
162	1	16	SER	HB2	H	3.875	0.000
163	1	16	SER	HB3	H	3.623	0.000
164	1	16	SER	C	C	174.294	0.000
165	1	16	SER	CA	C	58.916	0.000
166	1	16	SER	CB	C	64.478	0.000
167	1	16	SER	N	N	118.432	0.044
168	1	17	HIS	H	H	8.947	0.016
169	1	17	HIS	HA	H	4.906	0.000
170	1	17	HIS	HB2	H	3.332	0.000
171	1	17	HIS	HB3	H	3.200	0.000
172	1	17	HIS	HD2	H	7.256	0.000
173	1	17	HIS	HE1	H	8.354	0.000
174	1	17	HIS	CA	C	55.172	0.000
175	1	17	HIS	CB	C	28.203	0.000
176	1	17	HIS	CD2	C	119.900	0.000
177	1	17	HIS	CE1	C	137.286	0.000
178	1	17	HIS	N	N	120.667	0.000
179	1	18	ILE	H	H	7.139	0.002
180	1	18	ILE	HA	H	4.384	0.000
181	1	18	ILE	HB	H	1.808	0.000
182	1	18	ILE	HG12	H	1.424	0.000
183	1	18	ILE	HG13	H	1.233	0.000
184	1	18	ILE	HG21	H	0.866	0.002
185	1	18	ILE	HG22	H	0.866	0.002
186	1	18	ILE	HG23	H	0.866	0.002
187	1	18	ILE	HD11	H	0.805	0.001
188	1	18	ILE	HD12	H	0.805	0.001
189	1	18	ILE	HD13	H	0.805	0.001
190	1	18	ILE	C	C	173.750	0.000
191	1	18	ILE	CA	C	59.014	0.000
192	1	18	ILE	CB	C	39.804	0.000
193	1	18	ILE	CG1	C	27.844	0.000
194	1	18	ILE	CG2	C	17.876	0.043
195	1	18	ILE	CD1	C	13.035	0.051
196	1	18	ILE	N	N	119.092	0.030
197	1	19	ALA	H	H	8.449	0.001
198	1	19	ALA	HA	H	4.403	0.000
199	1	19	ALA	HB1	H	1.286	0.001
200	1	19	ALA	HB2	H	1.286	0.001
201	1	19	ALA	HB3	H	1.286	0.001
202	1	19	ALA	C	C	177.248	0.000
203	1	19	ALA	CA	C	50.524	0.000
204	1	19	ALA	CB	C	19.884	0.012
205	1	19	ALA	N	N	130.707	0.014
206	1	20	ARG	H	H	7.683	0.002
207	1	20	ARG	HA	H	2.605	0.000
208	1	20	ARG	HB2	H	0.333	0.000
209	1	20	ARG	HB3	H	1.001	0.003
210	1	20	ARG	HG2	H	0.853	0.000
211	1	20	ARG	HG3	H	1.122	0.000
212	1	20	ARG	HD2	H	2.728	0.000
213	1	20	ARG	HD3	H	2.731	0.000
214	1	20	ARG	C	C	178.301	0.000
215	1	20	ARG	CA	C	58.729	0.000
216	1	20	ARG	CB	C	29.012	0.000
217	1	20	ARG	CG	C	26.493	0.000
218	1	20	ARG	CD	C	43.262	0.000
219	1	20	ARG	N	N	123.653	0.027
220	1	21	ALA	H	H	8.077	0.001
221	1	21	ALA	HA	H	4.027	0.000
222	1	21	ALA	HB1	H	1.240	0.000
223	1	21	ALA	HB2	H	1.240	0.000
224	1	21	ALA	HB3	H	1.240	0.000
225	1	21	ALA	C	C	177.798	0.000
226	1	21	ALA	CA	C	53.581	0.000
227	1	21	ALA	CB	C	18.455	0.013
228	1	21	ALA	N	N	116.979	0.007
229	1	22	ASN	H	H	7.706	0.004
230	1	22	ASN	HA	H	4.883	0.000
231	1	22	ASN	HB2	H	3.091	0.000
232	1	22	ASN	HB3	H	2.713	0.000
233	1	22	ASN	HD21	H	7.658	0.001
234	1	22	ASN	HD22	H	7.089	0.001
235	1	22	ASN	C	C	175.097	0.000
236	1	22	ASN	CA	C	53.094	0.000
237	1	22	ASN	CB	C	40.349	0.000
238	1	22	ASN	CG	C	176.885	0.000
239	1	22	ASN	N	N	112.246	0.043
240	1	22	ASN	ND2	N	111.389	0.020
241	1	23	VAL	H	H	7.482	0.002
242	1	23	VAL	HA	H	4.643	0.000
243	1	23	VAL	HB	H	2.084	0.000
244	1	23	VAL	HG11	H	0.834	0.003
245	1	23	VAL	HG12	H	0.834	0.003
246	1	23	VAL	HG13	H	0.834	0.003
247	1	23	VAL	HG21	H	0.779	0.002
248	1	23	VAL	HG22	H	0.779	0.002
249	1	23	VAL	HG23	H	0.779	0.002
250	1	23	VAL	C	C	174.163	0.000
251	1	23	VAL	CA	C	61.391	0.000
252	1	23	VAL	CB	C	34.139	0.000
253	1	23	VAL	CG1	C	20.400	0.033
254	1	23	VAL	CG2	C	22.318	0.025
255	1	23	VAL	N	N	116.369	0.020
256	1	24	LYS	H	H	9.215	0.006
257	1	24	LYS	HA	H	4.474	0.000
258	1	24	LYS	HB2	H	1.505	0.000
259	1	24	LYS	HG2	H	1.142	0.000
260	1	24	LYS	HG3	H	1.020	0.000
261	1	24	LYS	HD2	H	1.541	0.000
262	1	24	LYS	HE2	H	2.822	0.000
263	1	24	LYS	C	C	174.902	0.000
264	1	24	LYS	CA	C	55.829	0.000
265	1	24	LYS	CB	C	35.200	0.000
266	1	24	LYS	CG	C	24.281	0.000
267	1	24	LYS	CD	C	29.633	0.000
268	1	24	LYS	CE	C	42.241	0.000
269	1	24	LYS	N	N	122.755	0.033
270	1	25	HIS	H	H	8.204	0.003
271	1	25	HIS	HA	H	4.567	0.000
272	1	25	HIS	HB2	H	3.165	0.000
273	1	25	HIS	HD2	H	6.981	0.003
274	1	25	HIS	HE1	H	8.026	0.002
275	1	25	HIS	CA	C	55.590	0.000
276	1	25	HIS	CB	C	30.621	0.000
277	1	25	HIS	CD2	C	119.321	0.079
278	1	25	HIS	CE1	C	138.151	0.004
279	1	25	HIS	N	N	115.149	0.011
280	1	26	LEU	H	H	8.077	0.003
281	1	26	LEU	HA	H	4.845	0.000
282	1	26	LEU	HB2	H	1.198	0.000
283	1	26	LEU	HB3	H	1.305	0.000
284	1	26	LEU	HG	H	1.329	0.000
285	1	26	LEU	HD11	H	0.490	0.006
286	1	26	LEU	HD12	H	0.490	0.006
287	1	26	LEU	HD13	H	0.490	0.006
288	1	26	LEU	HD21	H	0.436	0.005
289	1	26	LEU	HD22	H	0.436	0.005
290	1	26	LEU	HD23	H	0.436	0.005
291	1	26	LEU	C	C	176.202	0.000
292	1	26	LEU	CA	C	55.350	0.000
293	1	26	LEU	CB	C	44.520	0.000
294	1	26	LEU	CG	C	27.059	0.000
295	1	26	LEU	CD2	C	25.183	0.034
296	1	26	LEU	N	N	121.370	0.035
297	1	27	LYS	H	H	9.108	0.005
298	1	27	LYS	HA	H	4.603	0.000
299	1	27	LYS	HB2	H	1.765	0.000
300	1	27	LYS	HB3	H	1.655	0.000
301	1	27	LYS	HG2	H	1.314	0.000
302	1	27	LYS	HD2	H	1.624	0.000
303	1	27	LYS	HE2	H	2.892	0.000
304	1	27	LYS	C	C	173.692	0.000
305	1	27	LYS	CA	C	55.417	0.000
306	1	27	LYS	CB	C	36.001	0.000
307	1	27	LYS	CG	C	24.597	0.000
308	1	27	LYS	CD	C	29.765	0.000
309	1	27	LYS	N	N	123.707	0.008
310	1	28	ILE	H	H	8.433	0.005
311	1	28	ILE	HA	H	4.567	0.000
312	1	28	ILE	HB	H	1.743	0.000
313	1	28	ILE	HG12	H	0.982	0.000
314	1	28	ILE	HG13	H	1.663	0.000
315	1	28	ILE	HG21	H	0.809	0.001
316	1	28	ILE	HG22	H	0.809	0.001
317	1	28	ILE	HG23	H	0.809	0.001
318	1	28	ILE	HD11	H	0.813	0.010
319	1	28	ILE	HD12	H	0.813	0.010
320	1	28	ILE	HD13	H	0.813	0.010
321	1	28	ILE	C	C	176.060	0.000
322	1	28	ILE	CA	C	60.713	0.000
323	1	28	ILE	CB	C	38.802	0.000
324	1	28	ILE	CG1	C	28.163	0.000
325	1	28	ILE	CG2	C	18.008	0.046
326	1	28	ILE	CD1	C	13.828	0.040
327	1	28	ILE	N	N	123.239	0.008
328	1	29	LEU	H	H	9.059	0.005
329	1	29	LEU	HA	H	4.585	0.000
330	1	29	LEU	HB2	H	1.643	0.000
331	1	29	LEU	HB3	H	1.539	0.000
332	1	29	LEU	HG	H	0.827	0.000
333	1	29	LEU	HD11	H	0.794	0.004
334	1	29	LEU	HD12	H	0.794	0.004
335	1	29	LEU	HD13	H	0.794	0.004
336	1	29	LEU	C	C	175.739	0.000
337	1	29	LEU	CA	C	54.133	0.000
338	1	29	LEU	CB	C	43.351	0.000
339	1	29	LEU	CG	C	25.209	0.000
340	1	29	LEU	CD1	C	23.719	0.075
341	1	29	LEU	N	N	129.051	0.003
342	1	30	ASN	H	H	8.724	0.006
343	1	30	ASN	HA	H	5.031	0.005
344	1	30	ASN	HB2	H	2.811	0.000
345	1	30	ASN	HB3	H	2.537	0.000
346	1	30	ASN	HD21	H	6.686	0.004
347	1	30	ASN	HD22	H	7.523	0.001
348	1	30	ASN	C	C	174.395	0.000
349	1	30	ASN	CA	C	52.216	0.000
350	1	30	ASN	CB	C	39.166	0.000
351	1	30	ASN	CG	C	176.983	0.000
352	1	30	ASN	N	N	123.549	0.000
353	1	30	ASN	ND2	N	111.611	0.035
354	1	31	THR	H	H	8.183	0.003
355	1	31	THR	HA	H	4.671	0.011
356	1	31	THR	HB	H	3.994	0.002
357	1	31	THR	HG21	H	1.249	0.003
358	1	31	THR	HG22	H	1.249	0.003
359	1	31	THR	HG23	H	1.249	0.003
360	1	31	THR	CA	C	59.851	0.000
361	1	31	THR	CB	C	70.236	0.000
362	1	31	THR	CG2	C	22.210	0.074
363	1	31	THR	N	N	118.810	0.004
364	1	32	PRO	HA	H	4.251	0.002
365	1	32	PRO	HB2	H	2.275	0.000
366	1	32	PRO	HB3	H	1.794	0.000
367	1	32	PRO	HG2	H	2.038	0.011
368	1	32	PRO	HG3	H	1.962	0.009
369	1	32	PRO	HD2	H	3.675	0.006
370	1	32	PRO	HD3	H	3.853	0.009
371	1	32	PRO	C	C	176.761	0.000
372	1	32	PRO	CA	C	64.401	0.000
373	1	32	PRO	CB	C	32.005	0.000
374	1	32	PRO	CG	C	27.614	0.091
375	1	32	PRO	CD	C	51.125	0.000
376	1	33	ASN	H	H	8.519	0.003
377	1	33	ASN	HA	H	4.371	0.001
378	1	33	ASN	HB2	H	2.763	0.000
379	1	33	ASN	HB3	H	2.711	0.000
380	1	33	ASN	HD21	H	7.264	0.003
381	1	33	ASN	HD22	H	6.893	0.005
382	1	33	ASN	C	C	174.417	0.000
383	1	33	ASN	CA	C	54.808	0.000
384	1	33	ASN	CB	C	38.088	0.000
385	1	33	ASN	N	N	112.769	0.009
386	1	33	ASN	ND2	N	113.493	0.013
387	1	34	CYS	H	H	7.587	0.008
388	1	34	CYS	HA	H	4.877	0.006
389	1	34	CYS	HB2	H	3.127	0.003
390	1	34	CYS	HB3	H	2.904	0.002
391	1	34	CYS	C	C	173.813	0.000
392	1	34	CYS	CA	C	54.694	0.000
393	1	34	CYS	CB	C	44.510	0.000
394	1	34	CYS	N	N	116.366	0.005
395	1	35	ALA	H	H	8.393	0.004
396	1	35	ALA	HA	H	4.264	0.003
397	1	35	ALA	HB1	H	1.406	0.000
398	1	35	ALA	HB2	H	1.406	0.000
399	1	35	ALA	HB3	H	1.406	0.000
400	1	35	ALA	C	C	176.685	0.000
401	1	35	ALA	CA	C	52.434	0.000
402	1	35	ALA	CB	C	18.612	0.008
403	1	35	ALA	N	N	124.876	0.013
404	1	36	LEU	H	H	8.007	0.004
405	1	36	LEU	HA	H	4.218	0.000
406	1	36	LEU	HB2	H	1.468	0.000
407	1	36	LEU	HB3	H	1.556	0.000
408	1	36	LEU	HD11	H	0.868	0.000
409	1	36	LEU	HD12	H	0.868	0.000
410	1	36	LEU	HD13	H	0.868	0.000
411	1	36	LEU	HD21	H	0.815	0.000
412	1	36	LEU	HD22	H	0.815	0.000
413	1	36	LEU	HD23	H	0.815	0.000
414	1	36	LEU	C	C	176.242	0.000
415	1	36	LEU	CA	C	56.581	0.000
416	1	36	LEU	CB	C	42.157	0.000
417	1	36	LEU	CD2	C	24.969	0.027
418	1	36	LEU	N	N	121.460	0.000
419	1	37	GLN	H	H	8.452	0.001
420	1	37	GLN	HA	H	4.605	0.002
421	1	37	GLN	HB2	H	2.191	0.000
422	1	37	GLN	HB3	H	1.998	0.004
423	1	37	GLN	HG2	H	2.418	0.011
424	1	37	GLN	HE21	H	6.624	0.002
425	1	37	GLN	HE22	H	7.285	0.004
426	1	37	GLN	C	C	173.431	0.000
427	1	37	GLN	CA	C	54.134	0.042
428	1	37	GLN	CB	C	32.080	0.000
429	1	37	GLN	CG	C	34.207	0.000
430	1	37	GLN	N	N	123.227	0.005
431	1	37	GLN	NE2	N	110.376	0.031
432	1	38	ILE	H	H	9.327	0.003
433	1	38	ILE	HA	H	4.797	0.000
434	1	38	ILE	HB	H	1.867	0.000
435	1	38	ILE	HG12	H	1.390	0.000
436	1	38	ILE	HG13	H	1.040	0.000
437	1	38	ILE	HG21	H	0.639	0.009
438	1	38	ILE	HG22	H	0.639	0.009
439	1	38	ILE	HG23	H	0.639	0.009
440	1	38	ILE	HD11	H	0.740	0.003
441	1	38	ILE	HD12	H	0.740	0.003
442	1	38	ILE	HD13	H	0.740	0.003
443	1	38	ILE	C	C	174.602	0.000
444	1	38	ILE	CA	C	60.287	0.000
445	1	38	ILE	CB	C	38.730	0.000
446	1	38	ILE	CG1	C	27.725	0.000
447	1	38	ILE	CG2	C	18.814	0.032
448	1	38	ILE	CD1	C	14.561	0.046
449	1	38	ILE	N	N	124.747	0.030
450	1	39	VAL	H	H	8.789	0.002
451	1	39	VAL	HA	H	5.122	0.000
452	1	39	VAL	HB	H	1.925	0.000
453	1	39	VAL	HG11	H	0.876	0.003
454	1	39	VAL	HG12	H	0.876	0.003
455	1	39	VAL	HG13	H	0.876	0.003
456	1	39	VAL	HG21	H	0.878	0.002
457	1	39	VAL	HG22	H	0.878	0.002
458	1	39	VAL	HG23	H	0.878	0.002
459	1	39	VAL	C	C	174.603	0.000
460	1	39	VAL	CA	C	59.795	0.000
461	1	39	VAL	CB	C	34.817	0.000
462	1	39	VAL	CG1	C	20.484	0.002
463	1	39	VAL	CG2	C	21.621	0.004
464	1	39	VAL	N	N	123.395	0.019
465	1	40	ALA	H	H	9.148	0.005
466	1	40	ALA	HA	H	5.124	0.000
467	1	40	ALA	HB1	H	1.273	0.002
468	1	40	ALA	HB2	H	1.273	0.002
469	1	40	ALA	HB3	H	1.273	0.002
470	1	40	ALA	C	C	175.821	0.000
471	1	40	ALA	CA	C	50.212	0.000
472	1	40	ALA	CB	C	23.445	0.049
473	1	40	ALA	N	N	125.311	0.027
474	1	41	ARG	H	H	8.442	0.003
475	1	41	ARG	HA	H	5.175	0.000
476	1	41	ARG	HB2	H	1.443	0.000
477	1	41	ARG	HB3	H	1.518	0.000
478	1	41	ARG	HG2	H	1.634	0.000
479	1	41	ARG	HG3	H	1.516	0.000
480	1	41	ARG	HD2	H	3.038	0.000
481	1	41	ARG	C	C	176.332	0.000
482	1	41	ARG	CA	C	53.721	0.000
483	1	41	ARG	CB	C	32.445	0.000
484	1	41	ARG	CG	C	27.445	0.000
485	1	41	ARG	CD	C	42.936	0.000
486	1	41	ARG	N	N	118.028	0.032
487	1	42	LEU	H	H	8.943	0.005
488	1	42	LEU	HA	H	4.764	0.015
489	1	42	LEU	HB2	H	2.193	0.000
490	1	42	LEU	HB3	H	1.719	0.006
491	1	42	LEU	HG	H	1.799	0.000
492	1	42	LEU	HD11	H	1.001	0.000
493	1	42	LEU	HD12	H	1.001	0.000
494	1	42	LEU	HD13	H	1.001	0.000
495	1	42	LEU	HD21	H	0.810	0.000
496	1	42	LEU	HD22	H	0.810	0.000
497	1	42	LEU	HD23	H	0.810	0.000
498	1	42	LEU	C	C	178.448	0.000
499	1	42	LEU	CA	C	54.420	0.000
500	1	42	LEU	CB	C	41.356	0.000
501	1	42	LEU	CG	C	27.432	0.000
502	1	42	LEU	CD1	C	25.598	0.000
503	1	42	LEU	CD2	C	23.008	0.000
504	1	42	LEU	N	N	124.573	0.043
505	1	43	LYS	H	H	8.366	0.002
506	1	43	LYS	HA	H	3.789	0.004
507	1	43	LYS	HB2	H	1.805	0.000
508	1	43	LYS	HB3	H	1.623	0.000
509	1	43	LYS	HG2	H	1.165	0.000
510	1	43	LYS	HG3	H	1.222	0.004
511	1	43	LYS	HD2	H	1.694	0.000
512	1	43	LYS	HE2	H	2.833	0.000
513	1	43	LYS	C	C	178.100	0.000
514	1	43	LYS	CA	C	59.380	0.000
515	1	43	LYS	CB	C	33.285	0.000
516	1	43	LYS	CG	C	26.475	0.000
517	1	43	LYS	CD	C	29.707	0.000
518	1	43	LYS	CE	C	42.198	0.000
519	1	43	LYS	N	N	120.613	0.015
520	1	44	ASN	H	H	8.633	0.004
521	1	44	ASN	HA	H	4.459	0.014
522	1	44	ASN	HB2	H	2.788	0.000
523	1	44	ASN	HB3	H	2.893	0.000
524	1	44	ASN	HD21	H	7.604	0.002
525	1	44	ASN	HD22	H	6.782	0.002
526	1	44	ASN	C	C	175.885	0.000
527	1	44	ASN	CA	C	55.461	0.000
528	1	44	ASN	CB	C	37.519	0.000
529	1	44	ASN	N	N	114.271	0.009
530	1	44	ASN	ND2	N	112.381	0.003
531	1	45	ASN	H	H	7.403	0.003
532	1	45	ASN	HA	H	4.703	0.000
533	1	45	ASN	HB2	H	3.034	0.000
534	1	45	ASN	HB3	H	2.696	0.000
535	1	45	ASN	HD21	H	7.450	0.002
536	1	45	ASN	HD22	H	6.488	0.008
537	1	45	ASN	C	C	175.420	0.000
538	1	45	ASN	CA	C	52.653	0.000
539	1	45	ASN	CB	C	39.181	0.000
540	1	45	ASN	CG	C	176.025	0.000
541	1	45	ASN	N	N	114.876	0.010
542	1	45	ASN	ND2	N	109.224	0.022
543	1	46	ASN	H	H	8.068	0.009
544	1	46	ASN	HA	H	4.609	0.002
545	1	46	ASN	HB2	H	3.107	0.000
546	1	46	ASN	HB3	H	2.692	0.000
547	1	46	ASN	HD21	H	6.887	0.000
548	1	46	ASN	HD22	H	7.554	0.000
549	1	46	ASN	C	C	174.729	0.000
550	1	46	ASN	CA	C	54.572	0.000
551	1	46	ASN	CB	C	38.994	0.000
552	1	46	ASN	N	N	116.177	0.012
553	1	46	ASN	ND2	N	112.268	0.000
554	1	47	ARG	H	H	7.969	0.002
555	1	47	ARG	HA	H	4.192	0.000
556	1	47	ARG	HB2	H	1.726	0.000
557	1	47	ARG	HG2	H	1.571	0.000
558	1	47	ARG	HD2	H	3.118	0.000
559	1	47	ARG	HD3	H	3.203	0.000
560	1	47	ARG	C	C	175.741	0.000
561	1	47	ARG	CA	C	57.070	0.000
562	1	47	ARG	CB	C	31.606	0.000
563	1	47	ARG	CG	C	27.917	0.000
564	1	47	ARG	CD	C	43.586	0.000
565	1	47	ARG	N	N	120.126	0.004
566	1	48	GLN	H	H	8.696	0.001
567	1	48	GLN	HA	H	5.143	0.000
568	1	48	GLN	HB2	H	1.879	0.000
569	1	48	GLN	HB3	H	2.026	0.000
570	1	48	GLN	HG2	H	2.185	0.007
571	1	48	GLN	HG3	H	2.209	0.000
572	1	48	GLN	HE21	H	7.518	0.000
573	1	48	GLN	HE22	H	6.878	0.001
574	1	48	GLN	C	C	175.638	0.000
575	1	48	GLN	CA	C	55.712	0.000
576	1	48	GLN	CB	C	30.713	0.000
577	1	48	GLN	CG	C	35.251	0.000
578	1	48	GLN	N	N	123.423	0.006
579	1	48	GLN	NE2	N	111.801	0.082
580	1	49	VAL	H	H	9.000	0.001
581	1	49	VAL	HA	H	4.705	0.000
582	1	49	VAL	HB	H	2.108	0.000
583	1	49	VAL	HG11	H	0.878	0.002
584	1	49	VAL	HG12	H	0.878	0.002
585	1	49	VAL	HG13	H	0.878	0.002
586	1	49	VAL	HG21	H	0.749	0.001
587	1	49	VAL	HG22	H	0.749	0.001
588	1	49	VAL	HG23	H	0.749	0.001
589	1	49	VAL	C	C	174.291	0.000
590	1	49	VAL	CA	C	59.287	0.000
591	1	49	VAL	CB	C	35.708	0.000
592	1	49	VAL	CG1	C	21.418	0.012
593	1	49	VAL	CG2	C	18.911	0.024
594	1	49	VAL	N	N	120.108	0.000
595	1	50	CYS	H	H	8.772	0.004
596	1	50	CYS	HA	H	5.675	0.000
597	1	50	CYS	HB2	H	3.730	0.000
598	1	50	CYS	HB3	H	2.991	0.006
599	1	50	CYS	C	C	174.418	0.000
600	1	50	CYS	CA	C	55.986	0.000
601	1	50	CYS	CB	C	45.155	0.000
602	1	50	CYS	N	N	120.567	0.019
603	1	51	ILE	H	H	8.624	0.003
604	1	51	ILE	HA	H	4.441	0.000
605	1	51	ILE	HB	H	1.406	0.000
606	1	51	ILE	HG12	H	1.324	0.000
607	1	51	ILE	HG13	H	1.011	0.000
608	1	51	ILE	HG21	H	0.684	0.003
609	1	51	ILE	HG22	H	0.684	0.003
610	1	51	ILE	HG23	H	0.684	0.003
611	1	51	ILE	HD11	H	0.656	0.002
612	1	51	ILE	HD12	H	0.656	0.002
613	1	51	ILE	HD13	H	0.656	0.002
614	1	51	ILE	C	C	174.167	0.000
615	1	51	ILE	CA	C	59.912	0.000
616	1	51	ILE	CB	C	39.367	0.000
617	1	51	ILE	CG1	C	27.682	0.000
618	1	51	ILE	CG2	C	18.163	0.014
619	1	51	ILE	CD1	C	13.168	0.030
620	1	51	ILE	N	N	122.917	0.009
621	1	52	ASP	H	H	7.677	0.003
622	1	52	ASP	HA	H	3.683	0.000
623	1	52	ASP	HB2	H	2.645	0.000
624	1	52	ASP	HB3	H	2.254	0.000
625	1	52	ASP	CA	C	51.660	0.000
626	1	52	ASP	CB	C	42.555	0.000
627	1	52	ASP	N	N	126.518	0.048
628	1	53	PRO	HA	H	4.052	0.000
629	1	53	PRO	HB2	H	1.947	0.000
630	1	53	PRO	HB3	H	1.779	0.000
631	1	53	PRO	HG2	H	1.716	0.000
632	1	53	PRO	HG3	H	1.775	0.000
633	1	53	PRO	HD2	H	3.257	0.004
634	1	53	PRO	HD3	H	3.493	0.000
635	1	53	PRO	C	C	176.350	0.000
636	1	53	PRO	CA	C	63.360	0.000
637	1	53	PRO	CB	C	32.128	0.000
638	1	53	PRO	CG	C	27.106	0.000
639	1	53	PRO	CD	C	50.743	0.027
640	1	54	LYS	H	H	8.136	0.002
641	1	54	LYS	HA	H	3.993	0.000
642	1	54	LYS	HB2	H	1.705	0.000
643	1	54	LYS	HB3	H	1.715	0.000
644	1	54	LYS	HG2	H	1.285	0.000
645	1	54	LYS	HD2	H	1.626	0.000
646	1	54	LYS	HE2	H	2.950	0.000
647	1	54	LYS	C	C	177.916	0.000
648	1	54	LYS	CA	C	56.089	0.000
649	1	54	LYS	CB	C	31.610	0.000
650	1	54	LYS	CG	C	24.735	0.000
651	1	54	LYS	CD	C	28.575	0.000
652	1	54	LYS	CE	C	41.452	0.000
653	1	54	LYS	N	N	115.305	0.007
654	1	55	LEU	H	H	7.077	0.002
655	1	55	LEU	HA	H	4.046	0.000
656	1	55	LEU	HB2	H	1.001	0.000
657	1	55	LEU	HB3	H	1.179	0.000
658	1	55	LEU	HG	H	1.785	0.000
659	1	55	LEU	HD11	H	0.985	0.000
660	1	55	LEU	HD12	H	0.985	0.000
661	1	55	LEU	HD13	H	0.985	0.000
662	1	55	LEU	HD21	H	1.008	0.009
663	1	55	LEU	HD22	H	1.008	0.009
664	1	55	LEU	HD23	H	1.008	0.009
665	1	55	LEU	C	C	179.179	0.000
666	1	55	LEU	CA	C	55.478	0.000
667	1	55	LEU	CB	C	41.505	0.000
668	1	55	LEU	CG	C	26.926	0.000
669	1	55	LEU	CD1	C	25.479	0.038
670	1	55	LEU	CD2	C	23.026	0.020
671	1	55	LEU	N	N	120.291	0.006
672	1	56	LYS	H	H	8.863	0.003
673	1	56	LYS	HA	H	3.937	0.000
674	1	56	LYS	HB2	H	1.987	0.000
675	1	56	LYS	HG2	H	1.569	0.000
676	1	56	LYS	HG3	H	1.534	0.000
677	1	56	LYS	HD2	H	1.755	0.000
678	1	56	LYS	HE2	H	3.037	0.000
679	1	56	LYS	C	C	179.128	0.000
680	1	56	LYS	CA	C	59.913	0.000
681	1	56	LYS	CB	C	31.845	0.000
682	1	56	LYS	CG	C	24.735	0.000
683	1	56	LYS	CD	C	28.950	0.000
684	1	56	LYS	CE	C	42.362	0.000
685	1	56	LYS	N	N	125.358	0.008
686	1	57	TRP	H	H	7.798	0.007
687	1	57	TRP	HA	H	4.659	0.000
688	1	57	TRP	HB2	H	3.626	0.000
689	1	57	TRP	HB3	H	3.287	0.000
690	1	57	TRP	HD1	H	7.694	0.003
691	1	57	TRP	HE1	H	10.246	0.003
692	1	57	TRP	HE3	H	6.641	0.000
693	1	57	TRP	HZ2	H	6.977	0.005
694	1	57	TRP	HZ3	H	7.361	0.002
695	1	57	TRP	HH2	H	6.657	0.005
696	1	57	TRP	C	C	178.600	0.000
697	1	57	TRP	CA	C	58.091	0.000
698	1	57	TRP	CB	C	27.581	0.000
699	1	57	TRP	CD1	C	128.770	0.000
700	1	57	TRP	CE3	C	121.988	0.000
701	1	57	TRP	CZ2	C	113.898	0.000
702	1	57	TRP	CZ3	C	122.759	0.112
703	1	57	TRP	CH2	C	123.852	0.000
704	1	57	TRP	N	N	113.478	0.017
705	1	57	TRP	NE1	N	130.477	0.022
706	1	58	ILE	H	H	6.385	0.001
707	1	58	ILE	HA	H	3.748	0.000
708	1	58	ILE	HB	H	1.474	0.000
709	1	58	ILE	HG12	H	0.701	0.000
710	1	58	ILE	HG13	H	-0.057	0.000
711	1	58	ILE	HG21	H	0.593	0.001
712	1	58	ILE	HG22	H	0.593	0.001
713	1	58	ILE	HG23	H	0.593	0.001
714	1	58	ILE	HD11	H	0.030	0.004
715	1	58	ILE	HD12	H	0.030	0.004
716	1	58	ILE	HD13	H	0.030	0.004
717	1	58	ILE	C	C	177.132	0.000
718	1	58	ILE	CA	C	60.747	0.000
719	1	58	ILE	CB	C	35.699	0.000
720	1	58	ILE	CG1	C	27.069	0.000
721	1	58	ILE	CG2	C	17.838	0.024
722	1	58	ILE	CD1	C	11.319	0.031
723	1	58	ILE	N	N	123.327	0.012
724	1	59	GLN	H	H	7.801	0.002
725	1	59	GLN	HA	H	3.821	0.000
726	1	59	GLN	HB2	H	2.170	0.000
727	1	59	GLN	HG2	H	2.382	0.000
728	1	59	GLN	HE21	H	6.791	0.004
729	1	59	GLN	HE22	H	7.557	0.003
730	1	59	GLN	C	C	178.951	0.000
731	1	59	GLN	CA	C	59.485	0.000
732	1	59	GLN	CB	C	27.504	0.000
733	1	59	GLN	CG	C	33.871	0.000
734	1	59	GLN	N	N	120.718	0.011
735	1	59	GLN	NE2	N	113.485	0.021
736	1	60	GLU	H	H	8.079	0.001
737	1	60	GLU	HA	H	4.079	0.000
738	1	60	GLU	HB2	H	2.077	0.000
739	1	60	GLU	HB3	H	2.188	0.000
740	1	60	GLU	HG2	H	2.410	0.000
741	1	60	GLU	HG3	H	2.231	0.000
742	1	60	GLU	C	C	178.466	0.000
743	1	60	GLU	CA	C	59.317	0.000
744	1	60	GLU	CB	C	29.553	0.000
745	1	60	GLU	CG	C	36.542	0.000
746	1	60	GLU	N	N	118.041	0.011
747	1	61	TYR	H	H	7.734	0.002
748	1	61	TYR	HA	H	4.237	0.002
749	1	61	TYR	HB2	H	3.293	0.004
750	1	61	TYR	HD1	H	6.751	0.002
751	1	61	TYR	HD2	H	7.057	0.004
752	1	61	TYR	HE1	H	6.752	0.006
753	1	61	TYR	C	C	177.980	0.000
754	1	61	TYR	CA	C	61.312	0.000
755	1	61	TYR	CB	C	38.524	0.000
756	1	61	TYR	CD1	C	132.855	0.049
757	1	61	TYR	CD2	C	132.927	0.147
758	1	61	TYR	CE1	C	118.283	0.067
759	1	61	TYR	N	N	120.914	0.014
760	1	62	LEU	H	H	8.553	0.002
761	1	62	LEU	HA	H	3.815	0.000
762	1	62	LEU	HB2	H	1.859	0.000
763	1	62	LEU	HB3	H	1.472	0.000
764	1	62	LEU	HG	H	0.824	0.000
765	1	62	LEU	HD11	H	0.840	0.000
766	1	62	LEU	HD12	H	0.840	0.000
767	1	62	LEU	HD13	H	0.840	0.000
768	1	62	LEU	C	C	178.726	0.000
769	1	62	LEU	CA	C	57.626	0.000
770	1	62	LEU	CB	C	41.824	0.000
771	1	62	LEU	CG	C	25.715	0.000
772	1	62	LEU	CD1	C	22.991	0.010
773	1	62	LEU	N	N	119.614	0.006
774	1	63	GLU	H	H	7.904	0.000
775	1	63	GLU	HA	H	3.946	0.000
776	1	63	GLU	HB2	H	2.092	0.000
777	1	63	GLU	HB3	H	2.074	0.000
778	1	63	GLU	HG2	H	2.373	0.000
779	1	63	GLU	HG3	H	2.240	0.000
780	1	63	GLU	C	C	178.566	0.000
781	1	63	GLU	CA	C	59.185	0.000
782	1	63	GLU	CB	C	29.565	0.000
783	1	63	GLU	CG	C	36.225	0.000
784	1	63	GLU	N	N	118.407	0.003
785	1	64	LYS	H	H	7.492	0.001
786	1	64	LYS	HA	H	4.136	0.000
787	1	64	LYS	HB2	H	1.854	0.000
788	1	64	LYS	HG2	H	1.415	0.000
789	1	64	LYS	HG3	H	1.548	0.000
790	1	64	LYS	HD2	H	1.663	0.000
791	1	64	LYS	HE2	H	2.971	0.000
792	1	64	LYS	C	C	178.334	0.000
793	1	64	LYS	CA	C	57.975	0.000
794	1	64	LYS	CB	C	32.605	0.000
795	1	64	LYS	CG	C	25.182	0.000
796	1	64	LYS	CD	C	29.099	0.000
797	1	64	LYS	CE	C	42.346	0.000
798	1	64	LYS	N	N	117.257	0.004
799	1	65	ALA	H	H	8.009	0.000
800	1	65	ALA	HA	H	4.086	0.000
801	1	65	ALA	HB1	H	1.150	0.001
802	1	65	ALA	HB2	H	1.150	0.001
803	1	65	ALA	HB3	H	1.150	0.001
804	1	65	ALA	C	C	179.158	0.000
805	1	65	ALA	CA	C	54.070	0.000
806	1	65	ALA	CB	C	18.743	0.017
807	1	65	ALA	N	N	121.445	0.000
808	1	66	LEU	H	H	7.913	0.001
809	1	66	LEU	HA	H	4.268	0.000
810	1	66	LEU	HB2	H	1.700	0.000
811	1	66	LEU	HB3	H	1.547	0.000
812	1	66	LEU	HG	H	0.866	0.000
813	1	66	LEU	HD11	H	0.843	0.000
814	1	66	LEU	HD12	H	0.843	0.000
815	1	66	LEU	HD13	H	0.843	0.000
816	1	66	LEU	C	C	177.545	0.000
817	1	66	LEU	CA	C	55.504	0.000
818	1	66	LEU	CB	C	42.017	0.000
819	1	66	LEU	CG	C	25.167	0.000
820	1	66	LEU	CD1	C	22.999	0.000
821	1	66	LEU	N	N	117.185	0.007
822	1	67	ASN	H	H	7.833	0.008
823	1	67	ASN	HA	H	4.620	0.000
824	1	67	ASN	HB2	H	2.781	0.000
825	1	67	ASN	HB3	H	2.883	0.004
826	1	67	ASN	HD21	H	6.902	0.000
827	1	67	ASN	HD22	H	7.654	0.000
828	1	67	ASN	C	C	175.574	0.000
829	1	67	ASN	CA	C	53.818	0.000
830	1	67	ASN	CB	C	38.583	0.000
831	1	67	ASN	N	N	117.778	0.006
832	1	67	ASN	ND2	N	112.916	0.009
833	1	68	LYS	H	H	8.136	0.002
834	1	68	LYS	HA	H	4.269	0.009
835	1	68	LYS	HB2	H	1.876	0.000
836	1	68	LYS	HG2	H	1.429	0.000
837	1	68	LYS	HD2	H	1.662	0.000
838	1	68	LYS	HE2	H	2.980	0.000
839	1	68	LYS	CA	C	57.019	0.000
840	1	68	LYS	CB	C	32.623	0.000
841	1	68	LYS	CG	C	24.616	0.000
842	1	68	LYS	CD	C	29.074	0.000
843	1	68	LYS	CE	C	42.213	0.000
844	1	68	LYS	N	N	120.965	0.051
845	1	69	GLY	H	H	8.367	0.005
846	1	69	GLY	HA2	H	3.925	0.000
847	1	69	GLY	CA	C	45.440	0.000
848	1	69	GLY	N	N	108.886	0.071
849	1	70	ARG	H	H	8.035	0.001
850	1	70	ARG	CA	C	56.200	0.000
851	1	70	ARG	CB	C	30.914	0.000
852	1	70	ARG	N	N	120.571	0.009
853	1	71	ARG	H	H	8.492	0.000
854	1	71	ARG	CA	C	56.566	0.000
855	1	71	ARG	CB	C	30.433	0.000
856	1	71	ARG	N	N	122.454	0.000
857	1	72	GLU	H	H	8.392	0.000
858	1	72	GLU	CA	C	56.200	0.000
859	1	72	GLU	CB	C	33.250	0.000
860	1	72	GLU	N	N	122.847	0.000
861	1	74	LYS	H	H	8.412	0.000
862	1	74	LYS	HA	H	4.327	0.000
863	1	74	LYS	HB2	H	1.764	0.000
864	1	74	LYS	HG2	H	1.410	0.000
865	1	74	LYS	HD2	H	1.660	0.000
866	1	74	LYS	HE2	H	2.971	0.000
867	1	74	LYS	CA	C	56.342	0.000
868	1	74	LYS	CB	C	32.917	0.000
869	1	74	LYS	CG	C	24.638	0.000
870	1	74	LYS	CD	C	29.045	0.000
871	1	74	LYS	N	N	122.912	0.000
872	1	75	VAL	H	H	8.103	0.000
873	1	75	VAL	HA	H	4.091	0.000
874	1	75	VAL	HB	H	2.064	0.000
875	1	75	VAL	HG11	H	0.930	0.000
876	1	75	VAL	HG12	H	0.930	0.000
877	1	75	VAL	HG13	H	0.930	0.000
878	1	75	VAL	CA	C	62.526	0.000
879	1	75	VAL	CB	C	32.800	0.000
880	1	75	VAL	CG1	C	20.678	0.000
881	1	75	VAL	N	N	121.232	0.000
882	1	76	GLY	H	H	8.464	0.000
883	1	76	GLY	HA2	H	3.886	0.000
884	1	76	GLY	HA3	H	3.997	0.000
885	1	76	GLY	CA	C	45.197	0.000
886	1	76	GLY	N	N	112.632	0.000
887	1	77	LYS	H	H	8.176	0.000
888	1	77	LYS	CA	C	56.380	0.000
889	1	77	LYS	CB	C	33.220	0.000
890	1	77	LYS	N	N	121.228	0.000
891	1	78	LYS	H	H	8.360	0.000
892	1	78	LYS	CA	C	56.441	0.000
893	1	78	LYS	CB	C	32.994	0.000
894	1	78	LYS	N	N	123.381	0.000
895	1	79	GLU	H	H	8.398	0.000
896	1	79	GLU	CA	C	56.454	0.000
897	1	79	GLU	N	N	122.479	0.000
898	1	80	LYS	H	H	8.390	0.000
899	1	80	LYS	HA	H	4.292	0.000
900	1	80	LYS	HB2	H	1.787	0.000
901	1	80	LYS	HG2	H	1.402	0.000
902	1	80	LYS	HD2	H	1.673	0.000
903	1	80	LYS	HE2	H	2.984	0.000
904	1	80	LYS	CA	C	56.389	0.000
905	1	80	LYS	CB	C	32.912	0.000
906	1	80	LYS	CG	C	24.693	0.000
907	1	80	LYS	CD	C	29.136	0.000
908	1	80	LYS	CE	C	42.261	0.000
909	1	80	LYS	N	N	122.653	0.000
910	1	81	ILE	H	H	8.136	0.000
911	1	81	ILE	HA	H	4.122	0.000
912	1	81	ILE	HB	H	1.854	0.000
913	1	81	ILE	HG12	H	1.472	0.000
914	1	81	ILE	HG13	H	1.194	0.000
915	1	81	ILE	HG21	H	0.909	0.000
916	1	81	ILE	HG22	H	0.909	0.000
917	1	81	ILE	HG23	H	0.909	0.000
918	1	81	ILE	HD11	H	0.842	0.000
919	1	81	ILE	HD12	H	0.842	0.000
920	1	81	ILE	HD13	H	0.842	0.000
921	1	81	ILE	CA	C	61.277	0.000
922	1	81	ILE	CB	C	38.722	0.000
923	1	81	ILE	CG1	C	27.358	0.000
924	1	81	ILE	CG2	C	17.449	0.000
925	1	81	ILE	CD1	C	12.837	0.000
926	1	81	ILE	N	N	122.341	0.000
927	1	82	GLY	H	H	8.448	0.000
928	1	82	GLY	CA	C	45.268	0.000
929	1	82	GLY	N	N	112.989	0.000
930	1	83	LYS	H	H	8.176	0.000
931	1	83	LYS	CA	C	56.380	0.000
932	1	83	LYS	CB	C	33.220	0.000
933	1	83	LYS	N	N	121.219	0.000
934	1	85	LYS	H	H	8.370	0.000
935	1	85	LYS	CA	C	56.380	0.000
936	1	85	LYS	CB	C	33.040	0.000
937	1	85	LYS	N	N	122.850	0.000
938	1	86	ARG	H	H	8.410	0.000
939	1	86	ARG	CA	C	56.180	0.000
940	1	86	ARG	CB	C	30.920	0.000
941	1	86	ARG	N	N	123.080	0.000
942	1	87	GLN	H	H	8.482	0.000
943	1	87	GLN	CA	C	55.720	0.000
944	1	87	GLN	CB	C	29.880	0.000
945	1	87	GLN	N	N	122.644	0.000
946	1	88	LYS	H	H	8.446	0.000
947	1	88	LYS	HA	H	4.274	0.000
948	1	88	LYS	HE2	H	2.980	0.000
949	1	88	LYS	CA	C	56.380	0.000
950	1	88	LYS	CB	C	33.250	0.000
951	1	88	LYS	CG	C	24.647	0.000
952	1	88	LYS	CD	C	29.111	0.000
953	1	88	LYS	CE	C	42.221	0.000
954	1	88	LYS	N	N	123.968	0.000
955	1	89	LYS	H	H	8.328	0.000
956	1	89	LYS	CA	C	56.397	0.000
957	1	89	LYS	CB	C	33.062	0.000
958	1	89	LYS	N	N	122.750	0.000
959	1	90	ARG	H	H	8.410	0.000
960	1	90	ARG	CA	C	56.150	0.000
961	1	90	ARG	CB	C	31.110	0.000
962	1	90	ARG	N	N	123.660	0.000
963	1	91	LYS	H	H	8.408	0.000
964	1	91	LYS	HA	H	4.253	0.000
965	1	91	LYS	HB2	H	1.774	0.000
966	1	91	LYS	HG2	H	1.426	0.000
967	1	91	LYS	HD2	H	1.688	0.000
968	1	91	LYS	HE2	H	2.987	0.000
969	1	91	LYS	CA	C	56.330	0.000
970	1	91	LYS	CB	C	33.210	0.000
971	1	91	LYS	CG	C	24.615	0.000
972	1	91	LYS	CD	C	29.187	0.000
973	1	91	LYS	CE	C	42.165	0.000
974	1	91	LYS	N	N	123.539	0.000
975	1	92	ALA	H	H	8.358	0.000
976	1	92	ALA	HA	H	4.266	0.000
977	1	92	ALA	HB1	H	1.364	0.000
978	1	92	ALA	HB2	H	1.364	0.000
979	1	92	ALA	HB3	H	1.364	0.000
980	1	92	ALA	CA	C	52.340	0.000
981	1	92	ALA	CB	C	19.261	0.000
982	1	92	ALA	N	N	126.200	0.000
983	1	93	ALA	H	H	8.302	0.000
984	1	93	ALA	HA	H	4.273	0.000
985	1	93	ALA	HB1	H	1.362	0.000
986	1	93	ALA	HB2	H	1.362	0.000
987	1	93	ALA	HB3	H	1.362	0.000
988	1	93	ALA	CA	C	52.346	0.000
989	1	93	ALA	CB	C	19.370	0.000
990	1	93	ALA	N	N	123.871	0.000
991	1	94	GLN	H	H	8.325	0.000
992	1	94	GLN	CA	C	55.646	0.000
993	1	94	GLN	CB	C	29.857	0.000
994	1	94	GLN	N	N	120.159	0.000
995	1	95	LYS	H	H	8.392	0.000
996	1	95	LYS	CA	C	56.330	0.000
997	1	95	LYS	CB	C	33.210	0.000
998	1	95	LYS	N	N	123.579	0.000
999	1	96	ARG	H	H	8.381	0.000
1000	1	96	ARG	CA	C	56.230	0.000
1001	1	96	ARG	CB	C	31.220	0.000
1002	1	96	ARG	N	N	123.151	0.000
1003	1	97	LYS	H	H	8.422	0.000
1004	1	97	LYS	HA	H	4.296	0.000
1005	1	97	LYS	HB2	H	1.837	0.000
1006	1	97	LYS	HG2	H	1.426	0.000
1007	1	97	LYS	HD2	H	1.679	0.000
1008	1	97	LYS	HE2	H	2.987	0.000
1009	1	97	LYS	CA	C	56.441	0.000
1010	1	97	LYS	CB	C	33.261	0.000
1011	1	97	LYS	CG	C	24.445	0.000
1012	1	97	LYS	CD	C	29.084	0.000
1013	1	97	LYS	CE	C	42.240	0.000
1014	1	97	LYS	N	N	123.894	0.000
1015	1	98	ASN	H	H	8.019	0.000
1016	1	98	ASN	HD21	H	6.770	0.000
1017	1	98	ASN	HD22	H	7.485	0.000
1018	1	98	ASN	CA	C	54.860	0.000
1019	1	98	ASN	CB	C	40.290	0.000
1020	1	98	ASN	N	N	125.422	0.000
1021	1	98	ASN	ND2	N	112.497	0.002

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.101329

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.101329

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.101329

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.101329

Referencing offset: 0.16 ppm, Outliers: 2 Detail

Release date

2017-09-24

Citation

Deciphering the structural attributes of protein-heparan sulfate interactions using chemo-enzymatic approaches and NMR spectroscopy
Prechoux, A., Simorre, J.P., Lortat-Jacob, H., Laguri, C.
Glycobiology (2021), 31, 851-858, PubMed 33554262 , DOI 10.1093/glycob/cwab012 , Abstract