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BMRB: 31033

8DOA

Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)

Authors

Houliston, S., Kim, T.-E, T., Rocklin, G., Arrowsmith, C.H.

Assembly

HEEH mini-protein TK rd5 0958

Entity

1. HEEH mini-protein TK rd5 0958 (polymer, Thiol state: not present), 64 monomers, 7430.278 Da Detail

MGSSHHHHHH SSGLVPRGSH MDIEEIEKKA RKILEKGDSI EIAGFEVRDE EDLKKILEWL RRHG

Formula weight

7430.278 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 316, ¹³C: 193, ¹⁵N: 43 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	21	MET	HA	H	4.354	0.04	1
2	1	21	MET	HB2	H	1.950	0.04	2
3	1	21	MET	HB3	H	1.929	0.04	2
4	1	21	MET	HG2	H	1.918	0.04	2
5	1	21	MET	HG3	H	1.878	0.04	2
6	1	21	MET	C	C	175.053	0.40	1
7	1	21	MET	CA	C	55.830	0.40	1
8	1	21	MET	CB	C	33.816	0.40	1
9	1	21	MET	CG	C	31.453	0.40	1
10	1	22	ASP	H	H	8.482	0.04	1
11	1	22	ASP	HA	H	4.706	0.04	1
12	1	22	ASP	HB2	H	2.915	0.04	2
13	1	22	ASP	HB3	H	2.630	0.04	2
14	1	22	ASP	C	C	176.840	0.40	1
15	1	22	ASP	CA	C	53.750	0.40	1
16	1	22	ASP	CB	C	41.050	0.40	1
17	1	22	ASP	N	N	123.227	0.40	1
18	1	23	ILE	H	H	8.418	0.04	1
19	1	23	ILE	HA	H	3.701	0.04	1
20	1	23	ILE	HB	H	1.938	0.04	1
21	1	23	ILE	HG12	H	1.599	0.04	2
22	1	23	ILE	HG13	H	1.599	0.04	2
23	1	23	ILE	HG21	H	0.973	0.04	1
24	1	23	ILE	HG22	H	0.973	0.04	1
25	1	23	ILE	HG23	H	0.973	0.04	1
26	1	23	ILE	HD11	H	0.851	0.04	1
27	1	23	ILE	HD12	H	0.851	0.04	1
28	1	23	ILE	HD13	H	0.851	0.04	1
29	1	23	ILE	C	C	177.232	0.40	1
30	1	23	ILE	CA	C	64.281	0.40	1
31	1	23	ILE	CB	C	37.811	0.40	1
32	1	23	ILE	CG1	C	29.017	0.40	1
33	1	23	ILE	CG2	C	18.136	0.40	1
34	1	23	ILE	CD1	C	13.320	0.40	1
35	1	23	ILE	N	N	123.848	0.40	1
36	1	24	GLU	H	H	8.308	0.04	1
37	1	24	GLU	HA	H	4.170	0.04	1
38	1	24	GLU	HB2	H	2.172	0.04	2
39	1	24	GLU	HB3	H	2.063	0.04	2
40	1	24	GLU	HG2	H	2.363	0.04	2
41	1	24	GLU	HG3	H	2.310	0.04	2
42	1	24	GLU	C	C	179.297	0.40	1
43	1	24	GLU	CA	C	59.841	0.40	1
44	1	24	GLU	CB	C	29.188	0.40	1
45	1	24	GLU	CG	C	37.155	0.40	1
46	1	24	GLU	N	N	120.861	0.40	1
47	1	25	GLU	H	H	7.774	0.04	1
48	1	25	GLU	HA	H	4.112	0.04	1
49	1	25	GLU	HB2	H	2.168	0.04	2
50	1	25	GLU	HB3	H	2.097	0.04	2
51	1	25	GLU	HG2	H	2.469	0.04	2
52	1	25	GLU	HG3	H	2.317	0.04	2
53	1	25	GLU	C	C	179.169	0.40	1
54	1	25	GLU	CA	C	58.801	0.40	1
55	1	25	GLU	CB	C	29.510	0.40	1
56	1	25	GLU	CG	C	36.605	0.40	1
57	1	25	GLU	N	N	120.255	0.40	1
58	1	26	ILE	H	H	8.074	0.04	1
59	1	26	ILE	HA	H	3.638	0.04	1
60	1	26	ILE	HB	H	1.916	0.04	1
61	1	26	ILE	HG12	H	1.758	0.04	2
62	1	26	ILE	HG13	H	1.072	0.04	2
63	1	26	ILE	HG21	H	0.810	0.04	1
64	1	26	ILE	HG22	H	0.810	0.04	1
65	1	26	ILE	HG23	H	0.810	0.04	1
66	1	26	ILE	HD11	H	0.825	0.04	1
67	1	26	ILE	HD12	H	0.825	0.04	1
68	1	26	ILE	HD13	H	0.825	0.04	1
69	1	26	ILE	C	C	177.529	0.40	1
70	1	26	ILE	CA	C	64.930	0.40	1
71	1	26	ILE	CB	C	37.733	0.40	1
72	1	26	ILE	CG1	C	29.268	0.40	1
73	1	26	ILE	CG2	C	17.405	0.40	1
74	1	26	ILE	CD1	C	13.690	0.40	1
75	1	26	ILE	N	N	120.650	0.40	1
76	1	27	GLU	H	H	8.326	0.04	1
77	1	27	GLU	HA	H	3.705	0.04	1
78	1	27	GLU	HB2	H	2.098	0.04	2
79	1	27	GLU	HB3	H	2.200	0.04	2
80	1	27	GLU	HG2	H	2.198	0.04	2
81	1	27	GLU	HG3	H	2.141	0.04	2
82	1	27	GLU	C	C	177.430	0.40	1
83	1	27	GLU	CA	C	60.612	0.40	1
84	1	27	GLU	CB	C	29.111	0.40	1
85	1	27	GLU	CG	C	36.142	0.40	1
86	1	27	GLU	N	N	119.943	0.40	1
87	1	28	LYS	H	H	7.772	0.04	1
88	1	28	LYS	HA	H	3.910	0.04	1
89	1	28	LYS	HB2	H	1.893	0.04	2
90	1	28	LYS	HB3	H	1.875	0.04	2
91	1	28	LYS	HG2	H	1.424	0.04	2
92	1	28	LYS	HG3	H	1.658	0.04	2
93	1	28	LYS	HD2	H	1.690	0.04	2
94	1	28	LYS	HD3	H	1.673	0.04	2
95	1	28	LYS	HE2	H	2.924	0.04	2
96	1	28	LYS	HE3	H	2.924	0.04	2
97	1	28	LYS	C	C	179.774	0.40	1
98	1	28	LYS	CA	C	59.952	0.40	1
99	1	28	LYS	CB	C	32.862	0.40	1
100	1	28	LYS	CG	C	25.319	0.40	1
101	1	28	LYS	CD	C	29.589	0.40	1
102	1	28	LYS	CE	C	42.046	0.40	1
103	1	28	LYS	N	N	117.378	0.40	1
104	1	29	LYS	H	H	8.098	0.04	1
105	1	29	LYS	HA	H	3.994	0.04	1
106	1	29	LYS	HB2	H	1.925	0.04	2
107	1	29	LYS	HB3	H	1.843	0.04	2
108	1	29	LYS	HG2	H	1.603	0.04	2
109	1	29	LYS	HG3	H	1.341	0.04	2
110	1	29	LYS	HD2	H	1.682	0.04	2
111	1	29	LYS	HD3	H	1.682	0.04	2
112	1	29	LYS	HE2	H	2.899	0.04	2
113	1	29	LYS	HE3	H	2.899	0.04	2
114	1	29	LYS	C	C	179.201	0.40	1
115	1	29	LYS	CA	C	59.278	0.40	1
116	1	29	LYS	CB	C	32.864	0.40	1
117	1	29	LYS	CG	C	25.313	0.40	1
118	1	29	LYS	CD	C	29.438	0.40	1
119	1	29	LYS	CE	C	42.055	0.40	1
120	1	29	LYS	N	N	119.266	0.40	1
121	1	30	ALA	H	H	8.769	0.04	1
122	1	30	ALA	HA	H	3.958	0.04	1
123	1	30	ALA	HB1	H	1.424	0.04	1
124	1	30	ALA	HB2	H	1.424	0.04	1
125	1	30	ALA	HB3	H	1.424	0.04	1
126	1	30	ALA	C	C	179.342	0.40	1
127	1	30	ALA	CA	C	55.049	0.40	1
128	1	30	ALA	CB	C	19.688	0.40	1
129	1	30	ALA	N	N	120.479	0.40	1
130	1	31	ARG	H	H	8.568	0.04	1
131	1	31	ARG	HA	H	3.806	0.04	1
132	1	31	ARG	HB2	H	1.835	0.04	2
133	1	31	ARG	HB3	H	1.833	0.04	2
134	1	31	ARG	HG2	H	1.536	0.04	2
135	1	31	ARG	HG3	H	1.536	0.04	2
136	1	31	ARG	HD2	H	3.185	0.04	2
137	1	31	ARG	HD3	H	3.120	0.04	2
138	1	31	ARG	C	C	178.645	0.40	1
139	1	31	ARG	CA	C	60.990	0.40	1
140	1	31	ARG	CB	C	29.472	0.40	1
141	1	31	ARG	CG	C	29.617	0.40	1
142	1	31	ARG	CD	C	42.876	0.40	1
143	1	31	ARG	N	N	116.440	0.40	1
144	1	32	LYS	H	H	7.266	0.04	1
145	1	32	LYS	HA	H	4.098	0.04	1
146	1	32	LYS	HB2	H	1.929	0.04	2
147	1	32	LYS	HB3	H	1.929	0.04	2
148	1	32	LYS	HG2	H	1.504	0.04	2
149	1	32	LYS	HG3	H	1.594	0.04	2
150	1	32	LYS	HD2	H	1.695	0.04	2
151	1	32	LYS	HD3	H	1.695	0.04	2
152	1	32	LYS	HE2	H	2.968	0.04	2
153	1	32	LYS	HE3	H	2.968	0.04	2
154	1	32	LYS	C	C	178.939	0.40	1
155	1	32	LYS	CA	C	58.676	0.40	1
156	1	32	LYS	CB	C	32.088	0.40	1
157	1	32	LYS	CG	C	24.935	0.40	1
158	1	32	LYS	CD	C	28.787	0.40	1
159	1	32	LYS	CE	C	42.074	0.40	1
160	1	32	LYS	N	N	117.541	0.40	1
161	1	33	ILE	H	H	7.351	0.04	1
162	1	33	ILE	HA	H	3.736	0.04	1
163	1	33	ILE	HB	H	1.928	0.04	1
164	1	33	ILE	HG12	H	1.584	0.04	2
165	1	33	ILE	HG13	H	1.265	0.04	2
166	1	33	ILE	HG21	H	0.723	0.04	1
167	1	33	ILE	HG22	H	0.723	0.04	1
168	1	33	ILE	HG23	H	0.723	0.04	1
169	1	33	ILE	HD11	H	0.736	0.04	1
170	1	33	ILE	HD12	H	0.736	0.04	1
171	1	33	ILE	HD13	H	0.736	0.04	1
172	1	33	ILE	C	C	178.460	0.40	1
173	1	33	ILE	CA	C	64.223	0.40	1
174	1	33	ILE	CB	C	37.795	0.40	1
175	1	33	ILE	CG1	C	29.017	0.40	1
176	1	33	ILE	CG2	C	18.324	0.40	1
177	1	33	ILE	CD1	C	12.792	0.40	1
178	1	33	ILE	N	N	120.944	0.40	1
179	1	34	LEU	H	H	8.461	0.04	1
180	1	34	LEU	HA	H	4.317	0.04	1
181	1	34	LEU	HB2	H	1.822	0.04	2
182	1	34	LEU	HB3	H	1.448	0.04	2
183	1	34	LEU	HG	H	1.793	0.04	1
184	1	34	LEU	HD11	H	0.625	0.04	2
185	1	34	LEU	HD12	H	0.625	0.04	2
186	1	34	LEU	HD13	H	0.625	0.04	2
187	1	34	LEU	HD21	H	0.740	0.04	2
188	1	34	LEU	HD22	H	0.740	0.04	2
189	1	34	LEU	HD23	H	0.740	0.04	2
190	1	34	LEU	C	C	170.032	0.40	1
191	1	34	LEU	CA	C	57.560	0.40	1
192	1	34	LEU	CB	C	41.506	0.40	1
193	1	34	LEU	CG	C	26.929	0.40	1
194	1	34	LEU	CD1	C	25.468	0.40	2
195	1	34	LEU	CD2	C	22.428	0.40	2
196	1	34	LEU	N	N	120.503	0.40	1
197	1	35	GLU	H	H	8.142	0.04	1
198	1	35	GLU	HA	H	4.066	0.04	1
199	1	35	GLU	HB2	H	2.094	0.04	2
200	1	35	GLU	HB3	H	2.193	0.04	2
201	1	35	GLU	HG2	H	2.334	0.04	2
202	1	35	GLU	HG3	H	2.300	0.04	2
203	1	35	GLU	C	C	178.015	0.40	1
204	1	35	GLU	CA	C	58.906	0.40	1
205	1	35	GLU	CB	C	29.564	0.40	1
206	1	35	GLU	CG	C	36.506	0.40	1
207	1	35	GLU	N	N	119.868	0.40	1
208	1	36	LYS	H	H	7.304	0.04	1
209	1	36	LYS	HA	H	4.386	0.04	1
210	1	36	LYS	HB2	H	2.031	0.04	2
211	1	36	LYS	HB3	H	2.031	0.04	2
212	1	36	LYS	HG2	H	1.614	0.04	2
213	1	36	LYS	HG3	H	1.614	0.04	2
214	1	36	LYS	HD2	H	1.715	0.04	2
215	1	36	LYS	HD3	H	1.715	0.04	2
216	1	36	LYS	HE2	H	3.011	0.04	2
217	1	36	LYS	HE3	H	3.011	0.04	2
218	1	36	LYS	C	C	176.998	0.40	1
219	1	36	LYS	CA	C	56.181	0.40	1
220	1	36	LYS	CB	C	32.701	0.40	1
221	1	36	LYS	CG	C	24.802	0.40	1
222	1	36	LYS	CD	C	29.174	0.40	1
223	1	36	LYS	CE	C	42.076	0.40	1
224	1	36	LYS	N	N	116.515	0.40	1
225	1	37	GLY	H	H	8.028	0.04	1
226	1	37	GLY	HA2	H	4.255	0.04	2
227	1	37	GLY	HA3	H	3.850	0.04	2
228	1	37	GLY	C	C	173.783	0.40	1
229	1	37	GLY	CA	C	45.218	0.40	1
230	1	37	GLY	N	N	107.152	0.40	1
231	1	38	ASP	H	H	7.185	0.04	1
232	1	38	ASP	HA	H	5.031	0.04	1
233	1	38	ASP	HB2	H	2.909	0.04	2
234	1	38	ASP	HB3	H	2.524	0.04	2
235	1	38	ASP	C	C	173.960	0.40	1
236	1	38	ASP	CA	C	53.099	0.40	1
237	1	38	ASP	CB	C	43.629	0.40	1
238	1	38	ASP	N	N	120.556	0.40	1
239	1	39	SER	H	H	8.258	0.04	1
240	1	39	SER	HA	H	4.957	0.04	1
241	1	39	SER	HB2	H	3.854	0.04	2
242	1	39	SER	HB3	H	3.709	0.04	2
243	1	39	SER	C	C	172.877	0.40	1
244	1	39	SER	CA	C	56.738	0.40	1
245	1	39	SER	CB	C	66.254	0.40	1
246	1	39	SER	N	N	112.546	0.40	1
247	1	40	ILE	H	H	8.356	0.04	1
248	1	40	ILE	HA	H	4.669	0.04	1
249	1	40	ILE	HB	H	1.773	0.04	1
250	1	40	ILE	HG12	H	1.527	0.04	2
251	1	40	ILE	HG13	H	1.038	0.04	2
252	1	40	ILE	HG21	H	0.846	0.04	1
253	1	40	ILE	HG22	H	0.846	0.04	1
254	1	40	ILE	HG23	H	0.846	0.04	1
255	1	40	ILE	HD11	H	0.842	0.04	1
256	1	40	ILE	HD12	H	0.842	0.04	1
257	1	40	ILE	HD13	H	0.842	0.04	1
258	1	40	ILE	C	C	172.147	0.40	1
259	1	40	ILE	CA	C	58.777	0.40	1
260	1	40	ILE	CB	C	41.824	0.40	1
261	1	40	ILE	CG1	C	28.358	0.40	1
262	1	40	ILE	CG2	C	15.624	0.40	1
263	1	40	ILE	CD1	C	14.271	0.40	1
264	1	40	ILE	N	N	116.970	0.40	1
265	1	41	GLU	H	H	8.274	0.04	1
266	1	41	GLU	HA	H	5.102	0.04	1
267	1	41	GLU	HB2	H	1.845	0.04	2
268	1	41	GLU	HB3	H	1.845	0.04	2
269	1	41	GLU	HG2	H	1.968	0.04	2
270	1	41	GLU	HG3	H	1.756	0.04	2
271	1	41	GLU	C	C	175.667	0.40	1
272	1	41	GLU	CA	C	54.908	0.40	1
273	1	41	GLU	CB	C	30.733	0.40	1
274	1	41	GLU	CG	C	36.548	0.40	1
275	1	41	GLU	N	N	127.313	0.40	1
276	1	42	ILE	H	H	8.945	0.04	1
277	1	42	ILE	HA	H	4.247	0.04	1
278	1	42	ILE	HB	H	1.719	0.04	1
279	1	42	ILE	HG12	H	1.499	0.04	2
280	1	42	ILE	HG13	H	0.959	0.04	2
281	1	42	ILE	HG21	H	0.862	0.04	1
282	1	42	ILE	HG22	H	0.862	0.04	1
283	1	42	ILE	HG23	H	0.862	0.04	1
284	1	42	ILE	HD11	H	0.716	0.04	1
285	1	42	ILE	HD12	H	0.716	0.04	1
286	1	42	ILE	HD13	H	0.716	0.04	1
287	1	42	ILE	C	C	174.574	0.40	1
288	1	42	ILE	CA	C	60.639	0.40	1
289	1	42	ILE	CB	C	41.063	0.40	1
290	1	42	ILE	CG1	C	26.964	0.40	1
291	1	42	ILE	CG2	C	17.351	0.40	1
292	1	42	ILE	CD1	C	13.737	0.40	1
293	1	42	ILE	N	N	126.675	0.40	1
294	1	43	ALA	H	H	9.194	0.04	1
295	1	43	ALA	HA	H	3.963	0.04	1
296	1	43	ALA	HB1	H	1.491	0.04	1
297	1	43	ALA	HB2	H	1.491	0.04	1
298	1	43	ALA	HB3	H	1.491	0.04	1
299	1	43	ALA	C	C	176.169	0.40	1
300	1	43	ALA	CA	C	52.864	0.40	1
301	1	43	ALA	CB	C	17.533	0.40	1
302	1	43	ALA	N	N	128.743	0.40	1
303	1	44	GLY	H	H	8.572	0.04	1
304	1	44	GLY	HA2	H	3.886	0.04	2
305	1	44	GLY	HA3	H	3.457	0.04	2
306	1	44	GLY	C	C	173.532	0.40	1
307	1	44	GLY	CA	C	45.094	0.40	1
308	1	44	GLY	N	N	102.627	0.40	1
309	1	45	PHE	H	H	8.253	0.04	1
310	1	45	PHE	HA	H	4.552	0.04	1
311	1	45	PHE	HB2	H	2.986	0.04	2
312	1	45	PHE	HB3	H	2.841	0.04	2
313	1	45	PHE	C	C	174.362	0.40	1
314	1	45	PHE	CA	C	56.468	0.40	1
315	1	45	PHE	CB	C	40.680	0.40	1
316	1	45	PHE	N	N	122.490	0.40	1
317	1	46	GLU	H	H	8.520	0.04	1
318	1	46	GLU	HA	H	4.157	0.04	1
319	1	46	GLU	HB2	H	1.823	0.04	2
320	1	46	GLU	HB3	H	1.823	0.04	2
321	1	46	GLU	HG2	H	2.002	0.04	2
322	1	46	GLU	HG3	H	1.918	0.04	2
323	1	46	GLU	C	C	174.474	0.40	1
324	1	46	GLU	CA	C	56.873	0.40	1
325	1	46	GLU	CB	C	29.765	0.40	1
326	1	46	GLU	CG	C	36.495	0.40	1
327	1	46	GLU	N	N	125.233	0.40	1
328	1	47	VAL	H	H	9.025	0.04	1
329	1	47	VAL	HA	H	4.077	0.04	1
330	1	47	VAL	HB	H	2.425	0.04	1
331	1	47	VAL	HG11	H	0.926	0.04	2
332	1	47	VAL	HG12	H	0.926	0.04	2
333	1	47	VAL	HG13	H	0.926	0.04	2
334	1	47	VAL	C	C	175.015	0.40	1
335	1	47	VAL	CA	C	62.326	0.40	1
336	1	47	VAL	CB	C	31.949	0.40	1
337	1	47	VAL	CG1	C	22.033	0.40	2
338	1	47	VAL	N	N	129.157	0.40	1
339	1	48	ARG	H	H	9.680	0.04	1
340	1	48	ARG	HA	H	4.492	0.04	1
341	1	48	ARG	HB2	H	1.877	0.04	2
342	1	48	ARG	HB3	H	1.728	0.04	2
343	1	48	ARG	HG2	H	1.511	0.04	2
344	1	48	ARG	HG3	H	1.511	0.04	2
345	1	48	ARG	HD2	H	3.126	0.04	2
346	1	48	ARG	HD3	H	3.126	0.04	2
347	1	48	ARG	C	C	176.011	0.40	1
348	1	48	ARG	CA	C	55.878	0.40	1
349	1	48	ARG	CB	C	32.121	0.40	1
350	1	48	ARG	CG	C	27.823	0.40	1
351	1	48	ARG	CD	C	43.274	0.40	1
352	1	48	ARG	N	N	124.280	0.40	1
353	1	49	ASP	H	H	7.746	0.04	1
354	1	49	ASP	HA	H	4.666	0.04	1
355	1	49	ASP	HB2	H	3.105	0.04	2
356	1	49	ASP	HB3	H	2.855	0.04	2
357	1	49	ASP	C	C	175.615	0.40	1
358	1	49	ASP	CA	C	52.936	0.40	1
359	1	49	ASP	CB	C	42.318	0.40	1
360	1	49	ASP	N	N	116.829	0.40	1
361	1	50	GLU	H	H	8.637	0.04	1
362	1	50	GLU	HA	H	3.858	0.04	1
363	1	50	GLU	HB2	H	2.067	0.04	2
364	1	50	GLU	HB3	H	2.067	0.04	2
365	1	50	GLU	HG2	H	2.291	0.04	2
366	1	50	GLU	HG3	H	2.291	0.04	2
367	1	50	GLU	C	C	178.238	0.40	1
368	1	50	GLU	CA	C	59.448	0.40	1
369	1	50	GLU	CB	C	29.361	0.40	1
370	1	50	GLU	CG	C	36.521	0.40	1
371	1	50	GLU	N	N	117.333	0.40	1
372	1	51	GLU	H	H	8.144	0.04	1
373	1	51	GLU	HA	H	4.100	0.04	1
374	1	51	GLU	HB2	H	2.109	0.04	2
375	1	51	GLU	HB3	H	2.172	0.04	2
376	1	51	GLU	HG2	H	2.328	0.04	2
377	1	51	GLU	HG3	H	2.311	0.04	2
378	1	51	GLU	C	C	179.755	0.40	1
379	1	51	GLU	CA	C	59.505	0.40	1
380	1	51	GLU	CB	C	28.622	0.40	1
381	1	51	GLU	CG	C	36.305	0.40	1
382	1	51	GLU	N	N	122.019	0.40	1
383	1	52	ASP	H	H	8.802	0.04	1
384	1	52	ASP	HA	H	4.425	0.04	1
385	1	52	ASP	HB2	H	3.088	0.04	2
386	1	52	ASP	HB3	H	2.880	0.04	2
387	1	52	ASP	C	C	178.428	0.40	1
388	1	52	ASP	CA	C	57.137	0.40	1
389	1	52	ASP	CB	C	42.248	0.40	1
390	1	52	ASP	N	N	121.459	0.40	1
391	1	53	LEU	H	H	7.966	0.04	1
392	1	53	LEU	HA	H	3.966	0.04	1
393	1	53	LEU	HB2	H	2.128	0.04	2
394	1	53	LEU	HB3	H	1.255	0.04	2
395	1	53	LEU	HD11	H	0.926	0.04	2
396	1	53	LEU	HD12	H	0.926	0.04	2
397	1	53	LEU	HD13	H	0.926	0.04	2
398	1	53	LEU	HD21	H	0.783	0.04	2
399	1	53	LEU	HD22	H	0.783	0.04	2
400	1	53	LEU	HD23	H	0.783	0.04	2
401	1	53	LEU	C	C	177.225	0.40	1
402	1	53	LEU	CA	C	57.605	0.40	1
403	1	53	LEU	CB	C	41.199	0.40	1
404	1	53	LEU	CD1	C	26.289	0.40	2
405	1	53	LEU	CD2	C	23.299	0.40	2
406	1	53	LEU	N	N	120.088	0.40	1
407	1	54	LYS	H	H	8.151	0.04	1
408	1	54	LYS	HA	H	3.859	0.04	1
409	1	54	LYS	HB2	H	1.944	0.04	2
410	1	54	LYS	HB3	H	1.944	0.04	2
411	1	54	LYS	HG2	H	1.433	0.04	2
412	1	54	LYS	HG3	H	1.665	0.04	2
413	1	54	LYS	HD2	H	1.665	0.04	2
414	1	54	LYS	HD3	H	1.665	0.04	2
415	1	54	LYS	HE2	H	2.936	0.04	2
416	1	54	LYS	HE3	H	2.936	0.04	2
417	1	54	LYS	C	C	179.529	0.40	1
418	1	54	LYS	CA	C	60.135	0.40	1
419	1	54	LYS	CB	C	32.422	0.40	1
420	1	54	LYS	CG	C	25.300	0.40	1
421	1	54	LYS	CD	C	29.512	0.40	1
422	1	54	LYS	CE	C	42.065	0.40	1
423	1	54	LYS	N	N	118.222	0.40	1
424	1	55	LYS	H	H	7.621	0.04	1
425	1	55	LYS	HA	H	4.066	0.04	1
426	1	55	LYS	HB2	H	1.849	0.04	2
427	1	55	LYS	HB3	H	1.849	0.04	2
428	1	55	LYS	HG2	H	1.586	0.04	2
429	1	55	LYS	HG3	H	1.586	0.04	2
430	1	55	LYS	HD2	H	1.653	0.04	2
431	1	55	LYS	HD3	H	1.653	0.04	2
432	1	55	LYS	HE2	H	2.880	0.04	2
433	1	55	LYS	HE3	H	2.880	0.04	2
434	1	55	LYS	C	C	179.634	0.40	1
435	1	55	LYS	CA	C	59.466	0.40	1
436	1	55	LYS	CB	C	32.518	0.40	1
437	1	55	LYS	CG	C	25.172	0.40	1
438	1	55	LYS	CD	C	29.616	0.40	1
439	1	55	LYS	CE	C	41.983	0.40	1
440	1	55	LYS	N	N	117.944	0.40	1
441	1	56	ILE	H	H	8.191	0.04	1
442	1	56	ILE	HA	H	4.103	0.04	1
443	1	56	ILE	HB	H	1.821	0.04	1
444	1	56	ILE	HG12	H	1.400	0.04	2
445	1	56	ILE	HG13	H	1.201	0.04	2
446	1	56	ILE	HG21	H	1.047	0.04	1
447	1	56	ILE	HG22	H	1.047	0.04	1
448	1	56	ILE	HG23	H	1.047	0.04	1
449	1	56	ILE	HD11	H	0.491	0.04	1
450	1	56	ILE	HD12	H	0.491	0.04	1
451	1	56	ILE	HD13	H	0.491	0.04	1
452	1	56	ILE	C	C	177.430	0.40	1
453	1	56	ILE	CA	C	61.530	0.40	1
454	1	56	ILE	CB	C	36.961	0.40	1
455	1	56	ILE	CG1	C	29.880	0.40	1
456	1	56	ILE	CG2	C	19.235	0.40	1
457	1	56	ILE	CD1	C	12.674	0.40	1
458	1	56	ILE	N	N	121.274	0.40	1
459	1	57	LEU	H	H	8.559	0.04	1
460	1	57	LEU	HA	H	4.107	0.04	1
461	1	57	LEU	HB2	H	1.945	0.04	2
462	1	57	LEU	HB3	H	1.361	0.04	2
463	1	57	LEU	HD11	H	0.794	0.04	2
464	1	57	LEU	HD12	H	0.794	0.04	2
465	1	57	LEU	HD13	H	0.794	0.04	2
466	1	57	LEU	HD21	H	0.784	0.04	2
467	1	57	LEU	HD22	H	0.784	0.04	2
468	1	57	LEU	HD23	H	0.784	0.04	2
469	1	57	LEU	C	C	179.235	0.40	1
470	1	57	LEU	CA	C	58.432	0.40	1
471	1	57	LEU	CB	C	40.411	0.40	1
472	1	57	LEU	CD1	C	26.161	0.40	2
473	1	57	LEU	CD2	C	21.868	0.40	2
474	1	57	LEU	N	N	122.319	0.40	1
475	1	58	GLU	H	H	7.710	0.04	1
476	1	58	GLU	HA	H	4.047	0.04	1
477	1	58	GLU	HB2	H	2.119	0.04	2
478	1	58	GLU	HB3	H	2.151	0.04	2
479	1	58	GLU	HG2	H	2.375	0.04	2
480	1	58	GLU	HG3	H	2.375	0.04	2
481	1	58	GLU	C	C	178.640	0.40	1
482	1	58	GLU	CA	C	59.170	0.40	1
483	1	58	GLU	CB	C	29.066	0.40	1
484	1	58	GLU	CG	C	36.110	0.40	1
485	1	58	GLU	N	N	118.075	0.40	1
486	1	59	TRP	H	H	7.911	0.04	1
487	1	59	TRP	HA	H	4.181	0.04	1
488	1	59	TRP	HB2	H	3.592	0.04	2
489	1	59	TRP	HB3	H	3.256	0.04	2
490	1	59	TRP	C	C	179.466	0.40	1
491	1	59	TRP	CA	C	62.165	0.40	1
492	1	59	TRP	CB	C	28.975	0.40	1
493	1	59	TRP	N	N	121.200	0.40	1
494	1	60	LEU	H	H	8.999	0.04	1
495	1	60	LEU	HA	H	3.851	0.04	1
496	1	60	LEU	HB2	H	2.099	0.04	2
497	1	60	LEU	HB3	H	1.453	0.04	2
498	1	60	LEU	HG	H	2.159	0.04	1
499	1	60	LEU	HD11	H	0.899	0.04	2
500	1	60	LEU	HD12	H	0.899	0.04	2
501	1	60	LEU	HD13	H	0.899	0.04	2
502	1	60	LEU	HD21	H	1.008	0.04	2
503	1	60	LEU	HD22	H	1.008	0.04	2
504	1	60	LEU	HD23	H	1.008	0.04	2
505	1	60	LEU	C	C	179.687	0.40	1
506	1	60	LEU	CA	C	57.908	0.40	1
507	1	60	LEU	CB	C	42.486	0.40	1
508	1	60	LEU	CG	C	27.103	0.40	1
509	1	60	LEU	CD1	C	26.454	0.40	2
510	1	60	LEU	CD2	C	23.206	0.40	2
511	1	60	LEU	N	N	120.047	0.40	1
512	1	61	ARG	H	H	8.081	0.04	1
513	1	61	ARG	HA	H	3.951	0.04	1
514	1	61	ARG	HB2	H	1.878	0.04	2
515	1	61	ARG	HB3	H	1.860	0.04	2
516	1	61	ARG	HG2	H	1.578	0.04	2
517	1	61	ARG	HG3	H	1.578	0.04	2
518	1	61	ARG	HD2	H	3.144	0.04	2
519	1	61	ARG	HD3	H	3.144	0.04	2
520	1	61	ARG	C	C	177.927	0.40	1
521	1	61	ARG	CA	C	59.097	0.40	1
522	1	61	ARG	CB	C	30.501	0.40	1
523	1	61	ARG	CG	C	28.753	0.40	1
524	1	61	ARG	CD	C	43.275	0.40	1
525	1	61	ARG	N	N	118.266	0.40	1
526	1	62	ARG	H	H	7.469	0.04	1
527	1	62	ARG	HA	H	4.090	0.04	1
528	1	62	ARG	HB2	H	1.563	0.04	2
529	1	62	ARG	HB3	H	1.461	0.04	2
530	1	62	ARG	HG2	H	1.465	0.04	2
531	1	62	ARG	HG3	H	1.349	0.04	2
532	1	62	ARG	HD2	H	3.016	0.04	2
533	1	62	ARG	HD3	H	3.016	0.04	2
534	1	62	ARG	C	C	176.757	0.40	1
535	1	62	ARG	CA	C	57.238	0.40	1
536	1	62	ARG	CB	C	30.700	0.40	1
537	1	62	ARG	CG	C	27.148	0.40	1
538	1	62	ARG	CD	C	43.301	0.40	1
539	1	62	ARG	N	N	117.012	0.40	1
540	1	63	HIS	H	H	7.854	0.04	1
541	1	63	HIS	HA	H	4.410	0.04	1
542	1	63	HIS	HB2	H	2.805	0.04	2
543	1	63	HIS	HB3	H	1.967	0.04	2
544	1	63	HIS	C	C	174.719	0.40	1
545	1	63	HIS	CA	C	56.586	0.40	1
546	1	63	HIS	CB	C	29.749	0.40	1
547	1	63	HIS	N	N	117.314	0.40	1
548	1	64	GLY	H	H	7.788	0.04	1
549	1	64	GLY	HA2	H	3.813	0.04	2
550	1	64	GLY	HA3	H	3.666	0.04	2
551	1	64	GLY	CA	C	46.400	0.40	1
552	1	64	GLY	N	N	115.072	0.40	1

Release date

2022-08-07

Citation

Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation
Kim, T.E., Tsuboyama, K., Houliston, S., Martell, C.M., Phoumyvong, C.M., Lemak, A., Haddox, H.K., Arrowsmith, C.H., Rocklin, G.J.
Proc. Natl. Acad. Sci. U. S. A. (2022), 119, e2122676119-e2122676119, PubMed 36191185 , DOI 10.1073/pnas.2122676119 , Abstract

Related entities 1. HEEH mini-protein TK rd5 0958, : 1 : 46 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCA