NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26151 |
2kfo   |
16185 | cing | 1-original | 1 | STAR | chemical shift |
loop_
_Atom_shift_assign_ID
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 119 GLY CA C 43.291 0.3 1
2 120 SER CA C 58.022 0.3 1
3 120 SER CB C 64.072 0.3 1
4 120 SER HA H 4.611 0.020 1
5 120 SER N N 115.780 0.3 1
6 121 VAL CA C 62.278 0.3 1
7 121 VAL CB C 32.728 0.3 1
8 121 VAL CG1 C 20.503 0.3 1
9 121 VAL CG2 C 21.131 0.3 1
10 121 VAL HA H 4.204 0.020 1
11 121 VAL HB H 2.072 0.020 1
12 121 VAL N N 122.306 0.3 1
13 122 VAL CA C 62.478 0.3 1
14 122 VAL CB C 32.579 0.3 1
15 122 VAL CG1 C 20.794 0.3 1
16 122 VAL CG2 C 21.101 0.3 1
17 122 VAL HA H 4.115 0.020 1
18 122 VAL HB H 2.047 0.020 1
19 122 VAL N N 125.136 0.3 1
20 123 GLY CA C 45.282 0.3 1
21 123 GLY N N 113.524 0.3 1
22 124 GLY CA C 45.293 0.3 1
23 124 GLY N N 108.634 0.3 1
24 125 LEU CA C 54.809 0.3 1
25 125 LEU CB C 42.427 0.3 1
26 125 LEU CG C 26.876 0.3 1
27 125 LEU CD1 C 24.661 0.3 1
28 125 LEU CD2 C 23.494 0.3 1
29 125 LEU HA H 4.390 0.020 1
30 125 LEU HB2 H 1.568 0.020 2
31 125 LEU HB3 H 1.642 0.020 2
32 125 LEU HG H 1.536 0.020 1
33 125 LEU N N 121.817 0.3 1
34 126 GLY CA C 46.228 0.3 1
35 126 GLY HA2 H 3.927 0.020 1
36 126 GLY N N 109.919 0.3 1
37 127 GLY CA C 45.066 0.3 1
38 127 GLY HA2 H 3.936 0.020 1
39 127 GLY N N 109.078 0.3 1
40 128 TYR CA C 57.989 0.3 1
41 128 TYR CB C 39.993 0.3 1
42 128 TYR CD1 C 133.277 0.3 1
43 128 TYR CE1 C 118.593 0.3 1
44 128 TYR HA H 4.493 0.020 1
45 128 TYR HB2 H 2.936 0.020 2
46 128 TYR HB3 H 2.855 0.020 2
47 128 TYR N N 117.855 0.3 1
48 129 MET CA C 53.765 0.3 1
49 129 MET CB C 34.633 0.3 1
50 129 MET CG C 31.870 0.3 1
51 129 MET CE C 17.123 0.3 1
52 129 MET HA H 4.544 0.020 1
53 129 MET HB2 H 1.604 0.020 2
54 129 MET HB3 H 1.048 0.020 2
55 129 MET N N 121.229 0.3 1
56 130 LEU CA C 53.373 0.3 1
57 130 LEU CB C 43.409 0.3 1
58 130 LEU CG C 25.967 0.3 1
59 130 LEU CD1 C 25.728 0.3 1
60 130 LEU CD2 C 21.732 0.3 1
61 130 LEU HA H 4.475 0.020 1
62 130 LEU HB2 H 1.624 0.020 2
63 130 LEU HB3 H 0.985 0.020 2
64 130 LEU HG H 1.400 0.020 1
65 130 LEU N N 121.455 0.3 1
66 131 GLY CA C 44.940 0.3 1
67 131 GLY HA2 H 4.445 0.020 1
68 131 GLY N N 115.150 0.3 1
69 132 SER CA C 58.453 0.3 1
70 132 SER CB C 63.982 0.3 1
71 132 SER HA H 4.419 0.020 1
72 132 SER HB2 H 3.913 0.020 2
73 132 SER HB3 H 3.989 0.020 2
74 132 SER N N 113.673 0.3 1
75 133 ALA CA C 52.845 0.3 1
76 133 ALA CB C 18.373 0.3 1
77 133 ALA HA H 4.435 0.020 1
78 133 ALA N N 125.535 0.3 1
79 134 MET CA C 53.902 0.3 1
80 134 MET CB C 36.614 0.3 1
81 134 MET CG C 31.543 0.3 1
82 134 MET CE C 17.861 0.3 1
83 134 MET HA H 4.752 0.020 1
84 134 MET HB2 H 2.065 0.020 2
85 134 MET HB3 H 1.992 0.020 2
86 134 MET HG2 H 2.556 0.020 2
87 134 MET HG3 H 2.466 0.020 2
88 134 MET N N 121.631 0.3 1
89 135 SER CA C 58.665 0.3 1
90 135 SER CB C 63.033 0.3 1
91 135 SER HA H 4.349 0.020 1
92 135 SER HB2 H 3.848 0.020 2
93 135 SER HB3 H 3.763 0.020 2
94 135 SER N N 116.112 0.3 1
95 136 ARG CA C 54.801 0.3 1
96 136 ARG CB C 28.768 0.3 1
97 136 ARG CG C 29.440 0.3 1
98 136 ARG CD C 43.817 0.3 1
99 136 ARG HA H 4.389 0.020 1
100 136 ARG HB2 H 1.860 0.020 2
101 136 ARG HB3 H 1.798 0.020 2
102 136 ARG HG2 H 1.699 0.020 2
103 136 ARG HG3 H 1.621 0.020 2
104 136 ARG HD2 H 3.073 0.020 2
105 136 ARG HD3 H 2.965 0.020 2
106 136 ARG HE H 6.913 0.020 1
107 136 ARG N N 126.453 0.3 1
108 136 ARG NE N 85.610 0.3 1
109 137 PRO CA C 62.271 0.3 1
110 137 PRO CB C 32.255 0.3 1
111 137 PRO CG C 27.313 0.3 1
112 137 PRO CD C 50.577 0.3 1
113 137 PRO HA H 4.439 0.020 1
114 137 PRO HB2 H 2.243 0.020 2
115 137 PRO HB3 H 1.781 0.020 2
116 137 PRO HG2 H 2.043 0.020 2
117 137 PRO HG3 H 2.024 0.020 2
118 137 PRO HD2 H 3.933 0.020 2
119 137 PRO HD3 H 3.671 0.020 2
120 138 MET CA C 53.944 0.3 1
121 138 MET CB C 30.225 0.3 1
122 138 MET CG C 31.863 0.3 1
123 138 MET CE C 16.414 0.3 1
124 138 MET HA H 4.901 0.020 1
125 138 MET HB2 H 2.026 0.020 2
126 138 MET HB3 H 2.006 0.020 2
127 138 MET HG2 H 2.699 0.020 2
128 138 MET HG3 H 2.334 0.020 2
129 138 MET N N 122.199 0.3 1
130 139 ILE CA C 59.465 0.3 1
131 139 ILE CB C 38.874 0.3 1
132 139 ILE CG1 C 26.595 0.3 1
133 139 ILE CG2 C 17.128 0.3 1
134 139 ILE CD1 C 12.433 0.3 1
135 139 ILE HA H 3.828 0.020 1
136 139 ILE HB H 0.782 0.020 1
137 139 ILE HG12 H 0.906 0.020 2
138 139 ILE HG13 H 0.736 0.020 2
139 139 ILE N N 124.729 0.3 1
140 140 HIS CA C 54.075 0.3 1
141 140 HIS CB C 29.481 0.3 1
142 140 HIS CD2 C 120.180 0.3 1
143 140 HIS CE1 C 136.719 0.3 1
144 140 HIS HA H 4.925 0.020 1
145 140 HIS HB2 H 3.309 0.020 2
146 140 HIS HB3 H 2.959 0.020 2
147 140 HIS HD2 H 7.237 0.020 1
148 140 HIS HE1 H 8.605 0.020 1
149 140 HIS N N 121.960 0.3 1
150 141 PHE CA C 59.595 0.3 1
151 141 PHE CB C 40.829 0.3 1
152 141 PHE CD1 C 132.364 0.3 1
153 141 PHE CE1 C 131.477 0.3 1
154 141 PHE CZ C 129.404 0.3 1
155 141 PHE HA H 4.274 0.020 1
156 141 PHE HB2 H 3.304 0.020 2
157 141 PHE HB3 H 2.798 0.020 2
158 141 PHE HZ H 6.769 0.020 1
159 141 PHE N N 124.650 0.3 1
160 142 GLY CA C 45.642 0.3 1
161 142 GLY HA2 H 4.140 0.020 1
162 142 GLY N N 109.150 0.3 1
163 143 ASN CA C 52.509 0.3 1
164 143 ASN CB C 41.523 0.3 1
165 143 ASN HA H 4.899 0.020 1
166 143 ASN HB2 H 2.725 0.020 2
167 143 ASN HB3 H 2.714 0.020 2
168 143 ASN HD21 H 7.612 0.020 1
169 143 ASN HD22 H 7.429 0.020 1
170 143 ASN N N 114.465 0.3 1
171 143 ASN ND2 N 115.786 0.3 1
172 144 ASP CA C 57.804 0.3 1
173 144 ASP CB C 40.996 0.3 1
174 144 ASP HA H 4.453 0.020 1
175 144 ASP N N 123.531 0.3 1
176 145 TRP CA C 61.794 0.3 1
177 145 TRP CB C 28.298 0.3 1
178 145 TRP CD1 C 127.934 0.3 1
179 145 TRP CE3 C 121.019 0.3 1
180 145 TRP CZ2 C 114.999 0.3 1
181 145 TRP CZ3 C 121.542 0.3 1
182 145 TRP CH2 C 125.176 0.3 1
183 145 TRP HA H 4.245 0.020 1
184 145 TRP HD1 H 7.352 0.020 1
185 145 TRP HE1 H 10.253 0.020 1
186 145 TRP HE3 H 7.364 0.020 1
187 145 TRP HZ2 H 7.439 0.020 1
188 145 TRP HZ3 H 6.724 0.020 1
189 145 TRP HH2 H 6.903 0.020 1
190 145 TRP N N 120.623 0.3 1
191 145 TRP NE1 N 129.596 0.3 1
192 146 GLU CA C 59.787 0.3 1
193 146 GLU CB C 29.420 0.3 1
194 146 GLU CG C 36.905 0.3 1
195 146 GLU HA H 3.462 0.020 1
196 146 GLU HB2 H 1.849 0.020 2
197 146 GLU HB3 H 1.278 0.020 2
198 146 GLU HG2 H 2.154 0.020 2
199 146 GLU HG3 H 1.606 0.020 2
200 146 GLU N N 120.314 0.3 1
201 147 ASP CA C 58.577 0.3 1
202 147 ASP CB C 40.358 0.3 1
203 147 ASP HA H 4.701 0.020 1
204 147 ASP HB2 H 2.942 0.020 2
205 147 ASP HB3 H 2.847 0.020 2
206 147 ASP N N 119.103 0.3 1
207 148 ARG CA C 59.592 0.3 1
208 148 ARG CB C 29.845 0.3 1
209 148 ARG CG C 27.688 0.3 1
210 148 ARG CD C 43.513 0.3 1
211 148 ARG HA H 3.985 0.020 1
212 148 ARG HG2 H 1.730 0.020 2
213 148 ARG HG3 H 1.495 0.020 2
214 148 ARG HD2 H 3.218 0.020 2
215 148 ARG HD3 H 3.197 0.020 2
216 148 ARG HE H 7.457 0.020 1
217 148 ARG N N 120.067 0.3 1
218 148 ARG NE N 85.201 0.3 1
219 149 TYR CA C 62.190 0.3 1
220 149 TYR CB C 38.183 0.3 1
221 149 TYR CD1 C 133.899 0.3 1
222 149 TYR CE1 C 118.319 0.3 1
223 149 TYR HA H 3.747 0.020 1
224 149 TYR HB2 H 2.682 0.020 2
225 149 TYR HB3 H 2.319 0.020 2
226 149 TYR N N 120.980 0.3 1
227 150 TYR CA C 63.110 0.3 1
228 150 TYR CB C 38.390 0.3 1
229 150 TYR CD1 C 133.821 0.3 1
230 150 TYR CE1 C 118.700 0.3 1
231 150 TYR HA H 4.094 0.020 1
232 150 TYR HB2 H 3.564 0.020 2
233 150 TYR HB3 H 3.227 0.020 2
234 150 TYR N N 120.400 0.3 1
235 151 ARG CA C 59.986 0.3 1
236 151 ARG CB C 29.799 0.3 1
237 151 ARG CG C 28.430 0.3 1
238 151 ARG CD C 43.554 0.3 1
239 151 ARG HA H 3.871 0.020 1
240 151 ARG HB2 H 2.037 0.020 2
241 151 ARG HB3 H 1.972 0.020 2
242 151 ARG HG2 H 2.007 0.020 2
243 151 ARG HG3 H 1.760 0.020 2
244 151 ARG HD2 H 3.366 0.020 2
245 151 ARG HD3 H 3.292 0.020 2
246 151 ARG HE H 7.492 0.020 1
247 151 ARG N N 117.276 0.3 1
248 151 ARG NE N 84.830 0.3 1
249 152 GLU CA C 57.626 0.3 1
250 152 GLU CB C 29.694 0.3 1
251 152 GLU CG C 35.627 0.3 1
252 152 GLU HA H 4.116 0.020 1
253 152 GLU HG2 H 2.473 0.020 2
254 152 GLU HG3 H 2.276 0.020 2
255 152 GLU N N 115.346 0.3 1
256 153 ASN CA C 54.802 0.3 1
257 153 ASN CB C 41.173 0.3 1
258 153 ASN HA H 4.520 0.020 1
259 153 ASN HB2 H 2.253 0.020 2
260 153 ASN HB3 H 2.149 0.020 2
261 153 ASN HD21 H 6.740 0.020 1
262 153 ASN HD22 H 6.538 0.020 1
263 153 ASN N N 115.321 0.3 1
264 153 ASN ND2 N 116.762 0.3 1
265 154 MET CA C 59.161 0.3 1
266 154 MET CB C 30.578 0.3 1
267 154 MET CG C 30.165 0.3 1
268 154 MET CE C 17.270 0.3 1
269 154 MET HA H 3.482 0.020 1
270 154 MET HB2 H 1.589 0.020 2
271 154 MET HB3 H 1.262 0.020 2
272 154 MET HG2 H 2.291 0.020 2
273 154 MET HG3 H 1.785 0.020 2
274 154 MET N N 118.288 0.3 1
275 155 TYR CA C 59.355 0.3 1
276 155 TYR CB C 36.182 0.3 1
277 155 TYR CD1 C 133.547 0.3 1
278 155 TYR CE1 C 118.847 0.3 1
279 155 TYR HA H 4.149 0.020 1
280 155 TYR HB2 H 3.017 0.020 2
281 155 TYR HB3 H 2.945 0.020 2
282 155 TYR N N 116.279 0.3 1
283 156 ARG CA C 56.341 0.3 1
284 156 ARG CB C 30.671 0.3 1
285 156 ARG CG C 27.385 0.3 1
286 156 ARG CD C 44.334 0.3 1
287 156 ARG HA H 4.033 0.020 1
288 156 ARG HB2 H 1.961 0.020 2
289 156 ARG HB3 H 1.330 0.020 2
290 156 ARG HG2 H 1.275 0.020 2
291 156 ARG HG3 H 0.654 0.020 2
292 156 ARG HD2 H 3.207 0.020 2
293 156 ARG HD3 H 3.084 0.020 2
294 156 ARG HE H 7.270 0.020 1
295 156 ARG HH21 H 6.429 0.020 1
296 156 ARG N N 118.511 0.3 1
297 156 ARG NE N 84.637 0.3 1
298 157 TYR CA C 52.918 0.3 1
299 157 TYR CB C 35.171 0.3 1
300 157 TYR CD1 C 131.623 0.3 1
301 157 TYR CE1 C 117.675 0.3 1
302 157 TYR HA H 5.059 0.020 1
303 157 TYR HB2 H 3.139 0.020 2
304 157 TYR HB3 H 3.101 0.020 2
305 157 TYR N N 120.419 0.3 1
306 158 PRO CA C 63.475 0.3 1
307 158 PRO CB C 32.426 0.3 1
308 158 PRO CG C 27.306 0.3 1
309 158 PRO CD C 50.133 0.3 1
310 158 PRO HA H 4.486 0.020 1
311 158 PRO HB2 H 2.462 0.020 2
312 158 PRO HB3 H 1.756 0.020 2
313 158 PRO HG2 H 1.605 0.020 2
314 158 PRO HG3 H 1.409 0.020 2
315 158 PRO HD2 H 3.475 0.020 2
316 158 PRO HD3 H 3.217 0.020 2
317 159 ASN CA C 51.687 0.3 1
318 159 ASN CB C 38.091 0.3 1
319 159 ASN HA H 4.745 0.020 1
320 159 ASN HB2 H 3.753 0.020 2
321 159 ASN HB3 H 2.401 0.020 2
322 159 ASN HD21 H 7.527 0.020 1
323 159 ASN HD22 H 6.832 0.020 1
324 159 ASN N N 115.694 0.3 1
325 159 ASN ND2 N 109.107 0.3 1
326 160 GLN CA C 54.136 0.3 1
327 160 GLN CB C 33.732 0.3 1
328 160 GLN CG C 34.168 0.3 1
329 160 GLN HA H 4.618 0.020 1
330 160 GLN HB2 H 1.984 0.020 2
331 160 GLN HB3 H 1.707 0.020 2
332 160 GLN HG2 H 2.169 0.020 2
333 160 GLN HG3 H 2.050 0.020 2
334 160 GLN HE21 H 7.930 0.020 1
335 160 GLN HE22 H 7.047 0.020 1
336 160 GLN N N 113.759 0.3 1
337 160 GLN NE2 N 112.899 0.3 1
338 161 VAL CA C 58.681 0.3 1
339 161 VAL CB C 33.978 0.3 1
340 161 VAL CG1 C 23.814 0.3 1
341 161 VAL CG2 C 18.075 0.3 1
342 161 VAL HA H 4.925 0.020 1
343 161 VAL HB H 2.606 0.020 1
344 161 VAL N N 113.036 0.3 1
345 162 TYR CA C 56.909 0.3 1
346 162 TYR CB C 41.887 0.3 1
347 162 TYR CD1 C 133.317 0.3 1
348 162 TYR CE1 C 118.739 0.3 1
349 162 TYR HA H 5.567 0.020 1
350 162 TYR HB2 H 2.631 0.020 2
351 162 TYR HB3 H 2.555 0.020 2
352 162 TYR N N 121.286 0.3 1
353 163 TYR CA C 55.865 0.3 1
354 163 TYR CB C 40.139 0.3 1
355 163 TYR CD1 C 134.338 0.3 1
356 163 TYR CE1 C 117.918 0.3 1
357 163 TYR HA H 4.857 0.020 1
358 163 TYR HB2 H 2.856 0.020 2
359 163 TYR HB3 H 2.702 0.020 2
360 163 TYR N N 111.088 0.3 1
361 164 ARG CA C 53.389 0.3 1
362 164 ARG CB C 30.018 0.3 1
363 164 ARG CG C 27.815 0.3 1
364 164 ARG CD C 43.606 0.3 1
365 164 ARG HA H 4.672 0.020 1
366 164 ARG HB2 H 1.822 0.020 2
367 164 ARG HB3 H 1.696 0.020 2
368 164 ARG HG2 H 1.161 0.020 2
369 164 ARG HG3 H 1.010 0.020 2
370 164 ARG HD2 H 2.878 0.020 2
371 164 ARG HD3 H 2.859 0.020 2
372 164 ARG HE H 6.609 0.020 1
373 164 ARG N N 120.736 0.3 1
374 164 ARG NE N 84.608 0.3 1
375 165 PRO CA C 63.896 0.3 1
376 165 PRO CB C 32.563 0.3 1
377 165 PRO CG C 28.282 0.3 1
378 165 PRO CD C 50.136 0.3 1
379 165 PRO HA H 4.580 0.020 1
380 165 PRO HB2 H 2.515 0.020 2
381 165 PRO HB3 H 2.023 0.020 2
382 165 PRO HG2 H 2.172 0.020 2
383 165 PRO HG3 H 2.035 0.020 2
384 165 PRO HD2 H 3.692 0.020 2
385 165 PRO HD3 H 3.501 0.020 2
386 166 ALA CA C 55.459 0.3 1
387 166 ALA CB C 18.784 0.3 1
388 166 ALA HA H 4.540 0.020 1
389 166 ALA N N 123.501 0.3 1
390 167 ASP CA C 54.465 0.3 1
391 167 ASP CB C 38.964 0.3 1
392 167 ASP HA H 4.521 0.020 1
393 167 ASP HB2 H 2.987 0.020 2
394 167 ASP HB3 H 2.619 0.020 2
395 167 ASP N N 114.256 0.3 1
396 168 GLN CA C 55.979 0.3 1
397 168 GLN CB C 27.517 0.3 1
398 168 GLN CG C 34.085 0.3 1
399 168 GLN HA H 4.133 0.020 1
400 168 GLN HB2 H 1.941 0.020 2
401 168 GLN HB3 H 1.808 0.020 2
402 168 GLN HG2 H 2.240 0.020 2
403 168 GLN HG3 H 2.211 0.020 2
404 168 GLN HE21 H 7.580 0.020 1
405 168 GLN HE22 H 6.834 0.020 1
406 168 GLN N N 118.024 0.3 1
407 168 GLN NE2 N 112.430 0.3 1
408 169 TYR CA C 56.934 0.3 1
409 169 TYR CB C 41.761 0.3 1
410 169 TYR CD1 C 134.276 0.3 1
411 169 TYR CE1 C 119.205 0.3 1
412 169 TYR HA H 4.911 0.020 1
413 169 TYR HB2 H 3.311 0.020 2
414 169 TYR HB3 H 3.064 0.020 2
415 169 TYR N N 117.344 0.3 1
416 170 SER CA C 58.928 0.3 1
417 170 SER CB C 63.947 0.3 1
418 170 SER HA H 4.539 0.020 1
419 170 SER HB2 H 4.059 0.020 2
420 170 SER HB3 H 3.979 0.020 2
421 170 SER N N 115.093 0.3 1
422 171 ASN CA C 52.432 0.3 1
423 171 ASN CB C 40.000 0.3 1
424 171 ASN HA H 4.752 0.020 1
425 171 ASN HB2 H 3.200 0.020 2
426 171 ASN HB3 H 3.021 0.020 2
427 171 ASN HD21 H 7.530 0.020 1
428 171 ASN HD22 H 6.725 0.020 1
429 171 ASN N N 114.623 0.3 1
430 171 ASN ND2 N 113.356 0.3 1
431 172 GLN CA C 58.819 0.3 1
432 172 GLN CB C 29.661 0.3 1
433 172 GLN CG C 33.687 0.3 1
434 172 GLN HA H 2.671 0.020 1
435 172 GLN HB2 H 1.785 0.020 2
436 172 GLN HB3 H 1.626 0.020 2
437 172 GLN HG2 H 1.886 0.020 2
438 172 GLN HG3 H 1.300 0.020 2
439 172 GLN HE21 H 7.429 0.020 1
440 172 GLN HE22 H 6.934 0.020 1
441 172 GLN N N 119.901 0.3 1
442 172 GLN NE2 N 112.411 0.3 1
443 173 ASN CA C 56.456 0.3 1
444 173 ASN CB C 37.679 0.3 1
445 173 ASN HA H 4.235 0.020 1
446 173 ASN HB2 H 2.756 0.020 2
447 173 ASN HB3 H 2.661 0.020 2
448 173 ASN HD21 H 7.624 0.020 1
449 173 ASN HD22 H 7.000 0.020 1
450 173 ASN N N 117.544 0.3 1
451 173 ASN ND2 N 112.848 0.3 1
452 174 ASN CA C 55.995 0.3 1
453 174 ASN CB C 38.089 0.3 1
454 174 ASN HA H 4.569 0.020 1
455 174 ASN HB2 H 3.200 0.020 2
456 174 ASN HB3 H 2.909 0.020 2
457 174 ASN HD21 H 7.667 0.020 1
458 174 ASN HD22 H 7.201 0.020 1
459 174 ASN N N 118.593 0.3 1
460 174 ASN ND2 N 111.908 0.3 1
461 175 PHE CA C 60.809 0.3 1
462 175 PHE CB C 38.794 0.3 1
463 175 PHE CD1 C 133.155 0.3 1
464 175 PHE CE1 C 132.579 0.3 1
465 175 PHE CZ C 129.574 0.3 1
466 175 PHE HB2 H 3.070 0.020 2
467 175 PHE HB3 H 3.051 0.020 2
468 175 PHE HZ H 6.767 0.020 1
469 175 PHE N N 121.923 0.3 1
470 176 VAL CA C 67.557 0.3 1
471 176 VAL CB C 31.904 0.3 1
472 176 VAL CG1 C 24.529 0.3 1
473 176 VAL CG2 C 21.722 0.3 1
474 176 VAL HA H 3.446 0.020 1
475 176 VAL HB H 2.223 0.020 1
476 176 VAL N N 120.437 0.3 1
477 177 HIS CA C 59.185 0.3 1
478 177 HIS CB C 28.342 0.3 1
479 177 HIS CD2 C 120.589 0.3 1
480 177 HIS CE1 C 136.719 0.3 1
481 177 HIS HA H 4.317 0.020 1
482 177 HIS HB2 H 3.393 0.020 2
483 177 HIS HB3 H 3.356 0.020 2
484 177 HIS HD2 H 7.403 0.020 1
485 177 HIS HE1 H 8.659 0.020 1
486 177 HIS N N 116.640 0.3 1
487 178 ASP CA C 57.094 0.3 1
488 178 ASP CB C 40.899 0.3 1
489 178 ASP HA H 4.605 0.020 1
490 178 ASP HB2 H 2.982 0.020 2
491 178 ASP HB3 H 2.964 0.020 2
492 178 ASP N N 118.381 0.3 1
493 179 CYS CA C 58.716 0.3 1
494 179 CYS CB C 40.781 0.3 1
495 179 CYS HA H 4.705 0.020 1
496 179 CYS HB2 H 3.235 0.020 2
497 179 CYS HB3 H 2.880 0.020 2
498 179 CYS N N 119.690 0.3 1
499 180 VAL CA C 66.138 0.3 1
500 180 VAL CB C 31.959 0.3 1
501 180 VAL CG1 C 23.649 0.3 1
502 180 VAL CG2 C 21.662 0.3 1
503 180 VAL HA H 3.665 0.020 1
504 180 VAL HB H 2.169 0.020 1
505 180 VAL N N 124.578 0.3 1
506 181 ASN CA C 56.604 0.3 1
507 181 ASN CB C 38.699 0.3 1
508 181 ASN HA H 4.339 0.020 1
509 181 ASN HB2 H 2.897 0.020 2
510 181 ASN HB3 H 2.809 0.020 2
511 181 ASN HD21 H 7.692 0.020 1
512 181 ASN HD22 H 6.812 0.020 1
513 181 ASN N N 116.528 0.3 1
514 181 ASN ND2 N 112.033 0.3 1
515 182 ILE CA C 62.340 0.3 1
516 182 ILE CB C 36.545 0.3 1
517 182 ILE CG1 C 27.548 0.3 1
518 182 ILE CG2 C 18.300 0.3 1
519 182 ILE CD1 C 11.421 0.3 1
520 182 ILE HA H 3.745 0.020 1
521 182 ILE HB H 1.584 0.020 1
522 182 ILE N N 118.906 0.3 1
523 183 THR CA C 68.804 0.3 1
524 183 THR CB C 68.242 0.3 1
525 183 THR CG2 C 22.291 0.3 1
526 183 THR HA H 4.070 0.020 1
527 183 THR HB H 4.514 0.020 1
528 183 THR HG1 H 6.385 0.020 1
529 183 THR N N 118.241 0.3 1
530 184 ILE CA C 65.495 0.3 1
531 184 ILE CB C 36.611 0.3 1
532 184 ILE CG1 C 29.592 0.3 1
533 184 ILE CG2 C 16.837 0.3 1
534 184 ILE CD1 C 12.735 0.3 1
535 184 ILE HA H 3.750 0.020 1
536 184 ILE HB H 2.127 0.020 1
537 184 ILE HG12 H 1.820 0.020 2
538 184 ILE HG13 H 1.290 0.020 2
539 184 ILE N N 120.940 0.3 1
540 185 LYS CA C 59.906 0.3 1
541 185 LYS CB C 32.183 0.3 1
542 185 LYS CG C 25.075 0.3 1
543 185 LYS CD C 29.189 0.3 1
544 185 LYS CE C 41.992 0.3 1
545 185 LYS HA H 4.078 0.020 1
546 185 LYS HG2 H 1.505 0.020 2
547 185 LYS HG3 H 1.404 0.020 2
548 185 LYS N N 122.672 0.3 1
549 186 GLN CA C 57.454 0.3 1
550 186 GLN CB C 28.202 0.3 1
551 186 GLN CG C 33.375 0.3 1
552 186 GLN HA H 4.047 0.020 1
553 186 GLN HB2 H 1.982 0.020 2
554 186 GLN HB3 H 1.874 0.020 2
555 186 GLN HG2 H 2.098 0.020 2
556 186 GLN HG3 H 1.508 0.020 2
557 186 GLN HE21 H 6.765 0.020 1
558 186 GLN HE22 H 6.748 0.020 1
559 186 GLN N N 116.197 0.3 1
560 186 GLN NE2 N 110.263 0.3 1
561 187 HIS CA C 58.347 0.3 1
562 187 HIS CB C 29.783 0.3 1
563 187 HIS CD2 C 119.651 0.3 1
564 187 HIS CE1 C 138.177 0.3 1
565 187 HIS HA H 4.625 0.020 1
566 187 HIS HB2 H 3.387 0.020 2
567 187 HIS HB3 H 3.326 0.020 2
568 187 HIS HD2 H 7.350 0.020 1
569 187 HIS HE1 H 8.277 0.020 1
570 187 HIS N N 117.465 0.3 1
571 188 THR CA C 64.604 0.3 1
572 188 THR CB C 69.372 0.3 1
573 188 THR CG2 C 21.528 0.3 1
574 188 THR HA H 4.265 0.020 1
575 188 THR HB H 4.426 0.020 1
576 188 THR N N 113.935 0.3 1
577 189 VAL CA C 64.476 0.3 1
578 189 VAL CB C 32.155 0.3 1
579 189 VAL CG1 C 21.324 0.3 1
580 189 VAL CG2 C 21.066 0.3 1
581 189 VAL HA H 4.064 0.020 1
582 189 VAL HB H 2.226 0.020 1
583 189 VAL N N 121.862 0.3 1
584 190 THR CA C 63.584 0.3 1
585 190 THR CB C 69.401 0.3 1
586 190 THR CG2 C 21.671 0.3 1
587 190 THR HA H 4.303 0.020 1
588 190 THR HB H 4.298 0.020 1
589 190 THR N N 115.351 0.3 1
590 191 THR CA C 63.437 0.3 1
591 191 THR CB C 69.212 0.3 1
592 191 THR CG2 C 21.512 0.3 1
593 191 THR HA H 4.292 0.020 1
594 191 THR HB H 4.217 0.020 1
595 191 THR N N 115.107 0.3 1
596 192 THR CA C 63.536 0.3 1
597 192 THR CB C 69.385 0.3 1
598 192 THR CG2 C 21.563 0.3 1
599 192 THR HA H 4.410 0.020 1
600 192 THR HB H 4.387 0.020 1
601 192 THR N N 116.247 0.3 1
602 193 THR CA C 63.397 0.3 1
603 193 THR CB C 69.310 0.3 1
604 193 THR CG2 C 21.711 0.3 1
605 193 THR HA H 4.282 0.020 1
606 193 THR HB H 4.294 0.020 1
607 193 THR N N 116.195 0.3 1
608 194 LYS CA C 56.634 0.3 1
609 194 LYS CB C 32.514 0.3 1
610 194 LYS CG C 24.822 0.3 1
611 194 LYS CD C 29.122 0.3 1
612 194 LYS CE C 42.073 0.3 1
613 194 LYS HA H 4.342 0.020 1
614 194 LYS HB2 H 1.941 0.020 2
615 194 LYS HB3 H 1.830 0.020 2
616 194 LYS HG2 H 1.512 0.020 2
617 194 LYS HG3 H 1.453 0.020 2
618 194 LYS N N 121.697 0.3 1
619 195 GLY CA C 45.452 0.3 1
620 195 GLY HA2 H 4.054 0.020 1
621 195 GLY N N 109.391 0.3 1
622 196 GLU CA C 55.760 0.3 1
623 196 GLU CB C 30.347 0.3 1
624 196 GLU CG C 35.254 0.3 1
625 196 GLU HA H 4.277 0.020 1
626 196 GLU HG2 H 2.181 0.020 2
627 196 GLU HG3 H 2.169 0.020 2
628 196 GLU N N 120.005 0.3 1
629 197 ASN CA C 52.972 0.3 1
630 197 ASN CB C 39.686 0.3 1
631 197 ASN HA H 4.681 0.020 1
632 197 ASN HB2 H 2.753 0.020 2
633 197 ASN HB3 H 2.664 0.020 2
634 197 ASN HD21 H 7.592 0.020 1
635 197 ASN HD22 H 6.887 0.020 1
636 197 ASN N N 120.031 0.3 1
637 197 ASN ND2 N 113.155 0.3 1
638 198 PHE CA C 56.809 0.3 1
639 198 PHE CB C 39.901 0.3 1
640 198 PHE CD1 C 131.826 0.3 1
641 198 PHE CE1 C 130.278 0.3 1
642 198 PHE HA H 5.264 0.020 1
643 198 PHE HB2 H 3.211 0.020 2
644 198 PHE HB3 H 3.031 0.020 2
645 198 PHE N N 122.119 0.3 1
646 199 THR CA C 60.670 0.3 1
647 199 THR CB C 72.105 0.3 1
648 199 THR CG2 C 21.727 0.3 1
649 199 THR HA H 4.640 0.020 1
650 199 THR HB H 4.860 0.020 1
651 199 THR N N 116.408 0.3 1
652 200 GLU CA C 59.717 0.3 1
653 200 GLU CB C 28.629 0.3 1
654 200 GLU CG C 35.333 0.3 1
655 200 GLU HA H 4.121 0.020 1
656 200 GLU HB2 H 2.163 0.020 2
657 200 GLU HB3 H 2.097 0.020 2
658 200 GLU HG2 H 2.463 0.020 2
659 200 GLU HG3 H 2.408 0.020 2
660 200 GLU N N 119.941 0.3 1
661 201 THR CA C 66.849 0.3 1
662 201 THR CB C 68.658 0.3 1
663 201 THR CG2 C 21.378 0.3 1
664 201 THR HA H 3.834 0.020 1
665 201 THR HB H 3.791 0.020 1
666 201 THR N N 116.450 0.3 1
667 202 ASP CA C 57.963 0.3 1
668 202 ASP CB C 41.288 0.3 1
669 202 ASP HA H 4.573 0.020 1
670 202 ASP HB2 H 3.260 0.020 2
671 202 ASP HB3 H 2.500 0.020 2
672 202 ASP N N 120.246 0.3 1
673 203 VAL CA C 67.642 0.3 1
674 203 VAL CB C 31.566 0.3 1
675 203 VAL CG1 C 22.782 0.3 1
676 203 VAL CG2 C 21.114 0.3 1
677 203 VAL HA H 3.381 0.020 1
678 203 VAL HB H 2.164 0.020 1
679 203 VAL N N 119.815 0.3 1
680 204 LYS CA C 59.349 0.3 1
681 204 LYS CB C 32.057 0.3 1
682 204 LYS CG C 25.153 0.3 1
683 204 LYS CD C 29.264 0.3 1
684 204 LYS CE C 41.998 0.3 1
685 204 LYS HA H 4.087 0.020 1
686 204 LYS HB2 H 2.006 0.020 2
687 204 LYS HB3 H 1.952 0.020 2
688 204 LYS HG2 H 1.644 0.020 2
689 204 LYS HG3 H 1.486 0.020 2
690 204 LYS N N 119.299 0.3 1
691 205 MET CA C 59.774 0.3 1
692 205 MET CB C 32.779 0.3 1
693 205 MET CG C 33.958 0.3 1
694 205 MET CE C 18.133 0.3 1
695 205 MET HA H 4.156 0.020 1
696 205 MET HB2 H 2.323 0.020 2
697 205 MET HB3 H 1.916 0.020 2
698 205 MET HG2 H 3.030 0.020 2
699 205 MET HG3 H 2.357 0.020 2
700 205 MET N N 118.804 0.3 1
701 206 MET CA C 59.578 0.3 1
702 206 MET CB C 33.152 0.3 1
703 206 MET CG C 32.533 0.3 1
704 206 MET CE C 16.289 0.3 1
705 206 MET HA H 3.559 0.020 1
706 206 MET HB2 H 1.912 0.020 2
707 206 MET HB3 H 1.812 0.020 2
708 206 MET HG2 H 2.033 0.020 2
709 206 MET HG3 H 1.891 0.020 2
710 206 MET N N 118.390 0.3 1
711 207 GLU CA C 60.500 0.3 1
712 207 GLU CB C 27.981 0.3 1
713 207 GLU CG C 34.935 0.3 1
714 207 GLU HA H 3.702 0.020 1
715 207 GLU HB2 H 2.237 0.020 2
716 207 GLU HB3 H 2.107 0.020 2
717 207 GLU HG2 H 2.582 0.020 2
718 207 GLU HG3 H 2.257 0.020 2
719 207 GLU N N 118.252 0.3 1
720 208 ARG CA C 58.356 0.3 1
721 208 ARG CB C 29.758 0.3 1
722 208 ARG CG C 26.827 0.3 1
723 208 ARG CD C 42.401 0.3 1
724 208 ARG HA H 4.171 0.020 1
725 208 ARG HB2 H 2.093 0.020 2
726 208 ARG HB3 H 1.924 0.020 2
727 208 ARG HG2 H 1.804 0.020 2
728 208 ARG HG3 H 1.759 0.020 2
729 208 ARG HD2 H 3.230 0.020 2
730 208 ARG HD3 H 3.146 0.020 2
731 208 ARG HE H 7.315 0.020 1
732 208 ARG N N 117.118 0.3 1
733 208 ARG NE N 83.222 0.3 1
734 209 VAL CA C 66.072 0.3 1
735 209 VAL CB C 32.346 0.3 1
736 209 VAL CG1 C 24.145 0.3 1
737 209 VAL CG2 C 21.055 0.3 1
738 209 VAL HA H 3.725 0.020 1
739 209 VAL HB H 2.323 0.020 1
740 209 VAL N N 119.460 0.3 1
741 210 VAL CA C 66.557 0.3 1
742 210 VAL CB C 31.311 0.3 1
743 210 VAL CG1 C 24.491 0.3 1
744 210 VAL CG2 C 24.083 0.3 1
745 210 VAL HA H 3.634 0.020 1
746 210 VAL HB H 2.263 0.020 1
747 210 VAL N N 120.469 0.3 1
748 211 GLU CA C 61.036 0.3 1
749 211 GLU CB C 28.541 0.3 1
750 211 GLU CG C 35.291 0.3 1
751 211 GLU HA H 3.604 0.020 1
752 211 GLU HB2 H 2.238 0.020 2
753 211 GLU HB3 H 2.141 0.020 2
754 211 GLU HG2 H 2.276 0.020 2
755 211 GLU HG3 H 2.197 0.020 2
756 211 GLU N N 120.378 0.3 1
757 212 GLN CA C 59.111 0.3 1
758 212 GLN CB C 27.917 0.3 1
759 212 GLN CG C 33.983 0.3 1
760 212 GLN HA H 3.994 0.020 1
761 212 GLN HB2 H 2.164 0.020 2
762 212 GLN HB3 H 2.140 0.020 2
763 212 GLN HG2 H 2.472 0.020 2
764 212 GLN HG3 H 2.409 0.020 2
765 212 GLN HE21 H 7.433 0.020 1
766 212 GLN HE22 H 6.821 0.020 1
767 212 GLN N N 115.598 0.3 1
768 212 GLN NE2 N 111.848 0.3 1
769 213 MET CA C 59.953 0.3 1
770 213 MET CB C 34.377 0.3 1
771 213 MET CG C 32.658 0.3 1
772 213 MET CE C 17.014 0.3 1
773 213 MET HA H 4.156 0.020 1
774 213 MET HB2 H 2.229 0.020 2
775 213 MET HB3 H 2.051 0.020 2
776 213 MET HG2 H 2.863 0.020 2
777 213 MET HG3 H 2.498 0.020 2
778 213 MET N N 119.411 0.3 1
779 214 CYS CA C 59.914 0.3 1
780 214 CYS CB C 41.747 0.3 1
781 214 CYS HA H 4.424 0.020 1
782 214 CYS HB2 H 3.555 0.020 2
783 214 CYS HB3 H 2.881 0.020 2
784 214 CYS N N 119.255 0.3 1
785 215 VAL CA C 67.689 0.3 1
786 215 VAL CB C 31.486 0.3 1
787 215 VAL CG1 C 23.767 0.3 1
788 215 VAL CG2 C 21.207 0.3 1
789 215 VAL HA H 3.441 0.020 1
790 215 VAL HB H 2.316 0.020 1
791 215 VAL N N 123.297 0.3 1
792 216 THR CA C 66.949 0.3 1
793 216 THR CB C 68.296 0.3 1
794 216 THR CG2 C 22.299 0.3 1
795 216 THR HA H 3.879 0.020 1
796 216 THR HB H 4.309 0.020 1
797 216 THR N N 117.808 0.3 1
798 217 GLN CA C 58.516 0.3 1
799 217 GLN CB C 28.194 0.3 1
800 217 GLN CG C 32.451 0.3 1
801 217 GLN HA H 3.639 0.020 1
802 217 GLN HB2 H 2.312 0.020 2
803 217 GLN HB3 H 2.103 0.020 2
804 217 GLN HG2 H 1.649 0.020 2
805 217 GLN HG3 H 1.631 0.020 2
806 217 GLN HE21 H 7.176 0.020 1
807 217 GLN HE22 H 6.762 0.020 1
808 217 GLN N N 122.213 0.3 1
809 217 GLN NE2 N 114.619 0.3 1
810 218 TYR CA C 62.196 0.3 1
811 218 TYR CB C 37.177 0.3 1
812 218 TYR CD1 C 132.984 0.3 1
813 218 TYR CE1 C 117.912 0.3 1
814 218 TYR HA H 2.951 0.020 1
815 218 TYR HB2 H 2.944 0.020 2
816 218 TYR HB3 H 2.667 0.020 2
817 218 TYR N N 120.135 0.3 1
818 219 GLN CA C 58.680 0.3 1
819 219 GLN CB C 27.479 0.3 1
820 219 GLN CG C 33.861 0.3 1
821 219 GLN HA H 3.725 0.020 1
822 219 GLN HB2 H 2.273 0.020 2
823 219 GLN HB3 H 2.055 0.020 2
824 219 GLN HG2 H 2.690 0.020 2
825 219 GLN HG3 H 2.436 0.020 2
826 219 GLN HE21 H 7.463 0.020 1
827 219 GLN HE22 H 6.820 0.020 1
828 219 GLN N N 118.754 0.3 1
829 219 GLN NE2 N 111.056 0.3 1
830 220 LYS CA C 58.960 0.3 1
831 220 LYS CB C 32.341 0.3 1
832 220 LYS CG C 25.025 0.3 1
833 220 LYS CD C 29.390 0.3 1
834 220 LYS CE C 41.921 0.3 1
835 220 LYS HA H 3.994 0.020 1
836 220 LYS HB2 H 1.873 0.020 2
837 220 LYS HB3 H 1.828 0.020 2
838 220 LYS HG2 H 1.532 0.020 2
839 220 LYS HG3 H 1.360 0.020 2
840 220 LYS N N 118.918 0.3 1
841 221 GLU CA C 57.251 0.3 1
842 221 GLU CB C 29.521 0.3 1
843 221 GLU CG C 35.582 0.3 1
844 221 GLU HA H 4.091 0.020 1
845 221 GLU HB2 H 2.164 0.020 2
846 221 GLU HB3 H 1.645 0.020 2
847 221 GLU HG2 H 2.465 0.020 2
848 221 GLU HG3 H 2.202 0.020 2
849 221 GLU N N 117.579 0.3 1
850 222 SER CA C 59.847 0.3 1
851 222 SER CB C 63.033 0.3 1
852 222 SER HA H 4.052 0.020 1
853 222 SER HB2 H 3.606 0.020 2
854 222 SER HB3 H 3.347 0.020 2
855 222 SER N N 114.200 0.3 1
856 223 GLN CA C 56.959 0.3 1
857 223 GLN CB C 28.649 0.3 1
858 223 GLN CG C 33.762 0.3 1
859 223 GLN HA H 4.156 0.020 1
860 223 GLN HB2 H 2.099 0.020 2
861 223 GLN HB3 H 2.057 0.020 2
862 223 GLN HG2 H 2.424 0.020 2
863 223 GLN HG3 H 2.374 0.020 2
864 223 GLN HE21 H 7.572 0.020 1
865 223 GLN HE22 H 6.833 0.020 1
866 223 GLN N N 120.823 0.3 1
867 223 GLN NE2 N 112.560 0.3 1
868 224 ALA CA C 53.372 0.3 1
869 224 ALA CB C 18.636 0.3 1
870 224 ALA HA H 4.211 0.020 1
871 224 ALA N N 122.214 0.3 1
872 225 TYR CA C 58.663 0.3 1
873 225 TYR CB C 38.593 0.3 1
874 225 TYR CD1 C 133.487 0.3 1
875 225 TYR CE1 C 118.444 0.3 1
876 225 TYR HA H 4.414 0.020 1
877 225 TYR N N 118.496 0.3 1
878 226 TYR CA C 58.762 0.3 1
879 226 TYR CB C 38.614 0.3 1
880 226 TYR CD1 C 133.646 0.3 1
881 226 TYR CE1 C 118.525 0.3 1
882 226 TYR HA H 4.401 0.020 1
883 226 TYR HB2 H 3.067 0.020 2
884 226 TYR HB3 H 2.964 0.020 2
885 226 TYR N N 121.138 0.3 1
886 227 ASP CA C 54.315 0.3 1
887 227 ASP CB C 40.285 0.3 1
888 227 ASP HA H 4.520 0.020 1
889 227 ASP N N 121.687 0.3 1
890 228 GLY CA C 45.546 0.3 1
891 228 GLY HA2 H 3.933 0.020 1
892 228 GLY N N 108.271 0.3 1
893 229 ARG CA C 56.173 0.3 1
894 229 ARG CB C 30.648 0.3 1
895 229 ARG CG C 26.957 0.3 1
896 229 ARG CD C 43.316 0.3 1
897 229 ARG HA H 4.330 0.020 1
898 229 ARG HB2 H 1.855 0.020 2
899 229 ARG HB3 H 1.759 0.020 2
900 229 ARG HE H 7.297 0.020 1
901 229 ARG N N 120.090 0.3 1
902 229 ARG NE N 84.700 0.3 1
903 230 ARG CA C 55.981 0.3 1
904 230 ARG CB C 30.980 0.3 1
905 230 ARG CG C 27.062 0.3 1
906 230 ARG CD C 43.274 0.3 1
907 230 ARG HA H 4.412 0.020 1
908 230 ARG HB2 H 1.903 0.020 2
909 230 ARG HB3 H 1.783 0.020 2
910 230 ARG HG2 H 1.649 0.020 2
911 230 ARG HG3 H 1.629 0.020 2
912 230 ARG HE H 7.218 0.020 1
913 230 ARG N N 122.184 0.3 1
914 230 ARG NE N 84.697 0.3 1
915 231 SER CA C 58.305 0.3 1
916 231 SER CB C 63.993 0.3 1
917 231 SER HA H 4.520 0.020 1
918 231 SER HB2 H 3.929 0.020 2
919 231 SER HB3 H 3.891 0.020 2
920 231 SER N N 117.680 0.3 1
921 232 SER CA C 59.904 0.3 1
922 232 SER CB C 64.669 0.3 1
923 232 SER HA H 4.303 0.020 1
924 232 SER N N 122.709 0.3 1
stop_
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