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 |
|
|
23031 |
2jsw   |
15411 | cing | 1-original | 2 | STAR | chemical shift |
###################################################################
# Chemical Shift Ambiguity Code Definitions #
# #
# Codes Definition #
# #
# 1 Unique #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups #
# 3 Aromatic atoms on opposite sides of the ring #
# (e.g. Tyr HE1 and HE2 protons) #
# 4 Intraresidue ambiguities (e.g. Lys HG and #
# HD protons) #
# 5 Interresidue ambiguities (Lys 12 vs. Lys 27) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
# INSTRUCTIONS
# 1) Replace the @-signs with appropriate values.
# 2) Text comments concerning the assignments can be
# supplied in the full deposition.
# 3) Feel free to add or delete rows to the table as needed.
# The row numbers (_Atom_shift_assign_ID values) will be
# re-assigned to sequential values by BMRB
# The atom table chosen for this sequence is:
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
#
#Atom Residue
#shift Seq Residue Atom Atom Shift/ Error/ Ambiguity
#assign code Label Name Type ppm ppm Code
#---------------------------------------------------------------
#
1 1 GLY CA C 45.422 0.000 1
2 1 GLY HA2 H 4.013 0.000 1
3 1 GLY HA3 H 4.013 0.000 1
4 2 ILE CA C 61.119 0.000 1
5 2 ILE CB C 39.191 0.000 1
6 2 ILE CD1 C 13.215 0.000 1
7 2 ILE CG1 C 27.239 0.000 1
8 2 ILE CG2 C 17.643 0.000 1
9 2 ILE HA H 4.301 0.000 1
10 2 ILE HB H 1.902 0.000 1
11 2 ILE HD11 H 0.926 0.000 1
12 2 ILE HD12 H 0.926 0.000 1
13 2 ILE HD13 H 0.926 0.000 1
14 2 ILE HG12 H 1.504 0.000 1
15 2 ILE HG13 H 1.236 0.000 1
16 2 ILE HG21 H 0.957 0.000 1
17 2 ILE HG22 H 0.957 0.000 1
18 2 ILE HG23 H 0.957 0.000 1
19 3 ASP CA C 52.203 0.000 1
20 3 ASP CB C 41.614 0.000 1
21 3 ASP HA H 4.966 0.000 1
22 3 ASP HB2 H 2.642 0.000 1
23 3 ASP HB3 H 2.820 0.000 1
24 4 PRO C C 176.783 0.000 1
25 4 PRO CA C 63.786 0.000 1
26 4 PRO CB C 32.050 0.002 1
27 4 PRO CD C 50.920 0.002 1
28 4 PRO CG C 26.989 0.003 1
29 4 PRO HA H 4.418 0.000 1
30 4 PRO HB2 H 1.703 0.000 1
31 4 PRO HB3 H 2.230 0.000 1
32 4 PRO HD2 H 3.817 0.000 1
33 4 PRO HD3 H 3.931 0.000 1
34 4 PRO HG2 H 1.985 0.000 1
35 4 PRO HG3 H 1.803 0.000 1
36 5 PHE C C 176.066 0.000 1
37 5 PHE CA C 58.090 0.000 1
38 5 PHE CB C 39.057 0.001 1
39 5 PHE CD1 C 131.806 0.000 3
40 5 PHE CD2 C 131.806 0.000 3
41 5 PHE CE1 C 131.287 0.000 3
42 5 PHE CE2 C 131.287 0.000 3
43 5 PHE CZ C 129.609 0.000 1
44 5 PHE H H 8.194 0.000 1
45 5 PHE HA H 4.688 0.000 1
46 5 PHE HB2 H 3.172 0.000 1
47 5 PHE HB3 H 3.288 0.000 1
48 5 PHE HD1 H 7.406 0.000 3
49 5 PHE HD2 H 7.406 0.000 3
50 5 PHE HE1 H 7.463 0.000 3
51 5 PHE HE2 H 7.463 0.000 3
52 5 PHE HZ H 7.398 0.000 1
53 5 PHE N N 117.557 0.013 1
54 6 THR C C 173.477 0.000 1
55 6 THR CA C 61.998 0.000 1
56 6 THR CB C 70.067 0.000 1
57 6 THR CG2 C 21.774 0.000 1
58 6 THR H H 7.843 0.000 1
59 6 THR HA H 4.362 0.000 1
60 6 THR HB H 4.214 0.000 1
61 6 THR HG21 H 1.263 0.000 1
62 6 THR HG22 H 1.263 0.000 1
63 6 THR HG23 H 1.263 0.000 1
64 6 THR N N 113.995 0.001 1
65 7 ASP C C 175.321 0.000 1
66 7 ASP CA C 52.177 0.000 1
67 7 ASP CB C 42.126 0.000 1
68 7 ASP H H 8.079 0.001 1
69 7 ASP HA H 4.940 0.000 1
70 7 ASP HB2 H 2.768 0.000 1
71 7 ASP HB3 H 2.929 0.000 1
72 7 ASP N N 124.792 0.029 1
73 8 PRO C C 178.213 0.000 1
74 8 PRO CA C 64.873 0.000 1
75 8 PRO CB C 32.449 0.000 1
76 8 PRO CD C 51.388 0.003 1
77 8 PRO CG C 27.496 0.000 1
78 8 PRO HA H 4.402 0.000 1
79 8 PRO HB2 H 2.100 0.000 1
80 8 PRO HB3 H 2.454 0.000 1
81 8 PRO HD2 H 3.883 0.000 1
82 8 PRO HD3 H 4.070 0.000 1
83 8 PRO HG2 H 2.188 0.000 1
84 8 PRO HG3 H 2.073 0.000 1
85 9 THR C C 176.482 0.000 1
86 9 THR CA C 65.023 0.000 1
87 9 THR CB C 68.788 0.000 1
88 9 THR CG2 C 22.614 0.000 1
89 9 THR H H 8.535 0.001 1
90 9 THR HA H 4.211 0.000 1
91 9 THR HB H 4.285 0.000 1
92 9 THR HG21 H 1.338 0.000 1
93 9 THR HG22 H 1.338 0.000 1
94 9 THR HG23 H 1.338 0.000 1
95 9 THR N N 112.411 0.025 1
96 10 VAL C C 177.866 0.000 1
97 10 VAL CA C 64.832 0.000 1
98 10 VAL CB C 32.088 0.000 1
99 10 VAL CG1 C 21.241 0.000 1
100 10 VAL CG2 C 22.095 0.000 1
101 10 VAL H H 7.546 0.000 1
102 10 VAL HA H 3.989 0.000 1
103 10 VAL HB H 2.305 0.000 1
104 10 VAL HG11 H 1.012 0.000 1
105 10 VAL HG12 H 1.012 0.000 1
106 10 VAL HG13 H 1.012 0.000 1
107 10 VAL HG21 H 1.101 0.000 1
108 10 VAL HG22 H 1.101 0.000 1
109 10 VAL HG23 H 1.101 0.000 1
110 10 VAL N N 122.731 0.023 1
111 11 ILE C C 177.935 0.000 1
112 11 ILE CA C 63.540 0.000 1
113 11 ILE CB C 38.022 0.000 1
114 11 ILE CD1 C 12.826 0.000 1
115 11 ILE CG1 C 28.077 0.005 1
116 11 ILE CG2 C 17.768 0.000 1
117 11 ILE H H 7.717 0.002 1
118 11 ILE HA H 4.053 0.000 1
119 11 ILE HB H 2.006 0.000 1
120 11 ILE HD11 H 0.891 0.000 1
121 11 ILE HD12 H 0.891 0.000 1
122 11 ILE HD13 H 0.891 0.000 1
123 11 ILE HG12 H 1.577 0.000 1
124 11 ILE HG13 H 1.288 0.000 1
125 11 ILE HG21 H 1.012 0.000 1
126 11 ILE HG22 H 1.012 0.000 1
127 11 ILE HG23 H 1.012 0.000 1
128 11 ILE N N 119.241 0.002 1
129 12 ALA C C 178.768 0.000 1
130 12 ALA CA C 55.409 0.000 1
131 12 ALA CB C 17.940 0.000 1
132 12 ALA H H 8.028 0.001 1
133 12 ALA HA H 4.004 0.000 1
134 12 ALA HB1 H 1.454 0.000 1
135 12 ALA HB2 H 1.454 0.000 1
136 12 ALA HB3 H 1.454 0.000 1
137 12 ALA N N 122.258 0.015 1
138 13 GLU C C 178.353 0.000 1
139 13 GLU CA C 59.931 0.000 1
140 13 GLU CB C 29.558 0.000 1
141 13 GLU CG C 36.259 0.000 1
142 13 GLU H H 8.182 0.003 1
143 13 GLU HA H 4.084 0.000 1
144 13 GLU HB2 H 2.245 0.000 1
145 13 GLU HB3 H 2.245 0.000 1
146 13 GLU HG2 H 2.414 0.000 1
147 13 GLU HG3 H 2.414 0.000 1
148 13 GLU N N 118.071 0.033 1
149 14 ASN C C 179.066 0.000 1
150 14 ASN CA C 56.124 0.000 1
151 14 ASN CB C 38.350 0.001 1
152 14 ASN H H 8.265 0.001 1
153 14 ASN HA H 4.562 0.000 1
154 14 ASN HB2 H 2.901 0.000 1
155 14 ASN HB3 H 3.045 0.000 1
156 14 ASN HD21 H 6.920 0.000 1
157 14 ASN HD22 H 7.633 0.000 1
158 14 ASN N N 117.450 0.026 1
159 14 ASN ND2 N 111.863 0.001 1
160 15 GLU C C 180.051 0.000 1
161 15 GLU CA C 59.038 0.000 1
162 15 GLU CB C 29.763 0.004 1
163 15 GLU CG C 36.720 0.001 1
164 15 GLU H H 8.606 0.000 1
165 15 GLU HA H 4.235 0.000 1
166 15 GLU HB2 H 2.191 0.000 1
167 15 GLU HB3 H 2.075 0.000 1
168 15 GLU HG2 H 2.326 0.000 1
169 15 GLU HG3 H 2.476 0.000 1
170 15 GLU N N 121.382 0.043 1
171 16 LEU C C 179.041 0.000 1
172 16 LEU CA C 58.894 0.000 1
173 16 LEU CB C 41.124 0.006 1
174 16 LEU CD1 C 24.895 0.000 1
175 16 LEU CD2 C 24.205 0.000 1
176 16 LEU CG C 28.318 0.000 1
177 16 LEU H H 8.557 0.002 1
178 16 LEU HA H 4.042 0.000 1
179 16 LEU HB2 H 2.061 0.000 1
180 16 LEU HB3 H 1.560 0.000 1
181 16 LEU HD11 H 0.843 0.000 1
182 16 LEU HD12 H 0.843 0.000 1
183 16 LEU HD13 H 0.843 0.000 1
184 16 LEU HD21 H 0.831 0.000 1
185 16 LEU HD22 H 0.831 0.000 1
186 16 LEU HD23 H 0.831 0.000 1
187 16 LEU HG H 1.770 0.000 1
188 16 LEU N N 122.607 0.032 1
189 17 LEU C C 181.010 0.000 1
190 17 LEU CA C 58.106 0.000 1
191 17 LEU CB C 41.007 0.004 1
192 17 LEU CD1 C 22.754 0.000 1
193 17 LEU CD2 C 25.231 0.000 1
194 17 LEU CG C 26.959 0.000 1
195 17 LEU H H 8.332 0.000 1
196 17 LEU HA H 4.202 0.000 1
197 17 LEU HB2 H 1.637 0.000 1
198 17 LEU HB3 H 2.005 0.000 1
199 17 LEU HD11 H 0.977 0.000 1
200 17 LEU HD12 H 0.977 0.000 1
201 17 LEU HD13 H 0.977 0.000 1
202 17 LEU HD21 H 1.026 0.000 1
203 17 LEU HD22 H 1.026 0.000 1
204 17 LEU HD23 H 1.026 0.000 1
205 17 LEU HG H 1.954 0.000 1
206 17 LEU N N 119.578 0.006 1
207 18 GLY C C 176.864 0.000 1
208 18 GLY CA C 46.977 0.004 1
209 18 GLY H H 8.364 0.002 1
210 18 GLY HA2 H 3.988 0.000 1
211 18 GLY HA3 H 4.057 0.000 1
212 18 GLY N N 109.043 0.027 1
213 19 ALA C C 179.243 0.000 1
214 19 ALA CA C 54.970 0.000 1
215 19 ALA CB C 17.533 0.000 1
216 19 ALA H H 8.124 0.000 1
217 19 ALA HA H 4.343 0.000 1
218 19 ALA HB1 H 1.552 0.000 1
219 19 ALA HB2 H 1.552 0.000 1
220 19 ALA HB3 H 1.552 0.000 1
221 19 ALA N N 126.400 0.031 1
222 20 ALA C C 179.741 0.000 1
223 20 ALA CA C 55.764 0.000 1
224 20 ALA CB C 17.826 0.000 1
225 20 ALA H H 8.155 0.001 1
226 20 ALA HA H 4.072 0.000 1
227 20 ALA HB1 H 1.628 0.000 1
228 20 ALA HB2 H 1.628 0.000 1
229 20 ALA HB3 H 1.628 0.000 1
230 20 ALA N N 119.797 0.015 1
231 21 ALA C C 180.803 0.000 1
232 21 ALA CA C 54.989 0.000 1
233 21 ALA CB C 17.973 0.000 1
234 21 ALA H H 8.231 0.003 1
235 21 ALA HA H 4.272 0.000 1
236 21 ALA HB1 H 1.626 0.000 1
237 21 ALA HB2 H 1.626 0.000 1
238 21 ALA HB3 H 1.626 0.000 1
239 21 ALA N N 120.594 0.022 1
240 22 ALA C C 181.334 0.000 1
241 22 ALA CA C 54.991 0.000 1
242 22 ALA CB C 18.081 0.000 1
243 22 ALA H H 8.087 0.000 1
244 22 ALA HA H 4.278 0.000 1
245 22 ALA HB1 H 1.653 0.000 1
246 22 ALA HB2 H 1.653 0.000 1
247 22 ALA HB3 H 1.653 0.000 1
248 22 ALA N N 122.917 0.052 1
249 23 ILE C C 177.463 0.000 1
250 23 ILE CA C 65.940 0.000 1
251 23 ILE CB C 38.581 0.000 1
252 23 ILE CD1 C 14.420 0.000 1
253 23 ILE CG1 C 29.901 0.006 1
254 23 ILE CG2 C 18.945 0.000 1
255 23 ILE H H 8.169 0.002 1
256 23 ILE HA H 3.733 0.000 1
257 23 ILE HB H 2.050 0.000 1
258 23 ILE HD11 H 0.846 0.000 1
259 23 ILE HD12 H 0.846 0.000 1
260 23 ILE HD13 H 0.846 0.000 1
261 23 ILE HG12 H 2.063 0.000 1
262 23 ILE HG13 H 1.007 0.000 1
263 23 ILE HG21 H 1.105 0.000 1
264 23 ILE HG22 H 1.105 0.000 1
265 23 ILE HG23 H 1.105 0.000 1
266 23 ILE N N 121.645 0.053 1
267 24 GLU C C 179.389 0.000 1
268 24 GLU CA C 59.584 0.000 1
269 24 GLU CB C 29.314 0.000 1
270 24 GLU CG C 36.805 0.001 1
271 24 GLU H H 8.350 0.001 1
272 24 GLU HA H 4.081 0.000 1
273 24 GLU HB2 H 2.184 0.000 1
274 24 GLU HB3 H 2.184 0.000 1
275 24 GLU HG2 H 2.329 0.000 1
276 24 GLU HG3 H 2.563 0.000 1
277 24 GLU N N 119.790 0.002 1
278 25 ALA C C 180.628 0.000 1
279 25 ALA CA C 54.966 0.000 1
280 25 ALA CB C 17.711 0.000 1
281 25 ALA H H 8.146 0.003 1
282 25 ALA HA H 4.210 0.000 1
283 25 ALA HB1 H 1.597 0.000 1
284 25 ALA HB2 H 1.597 0.000 1
285 25 ALA HB3 H 1.597 0.000 1
286 25 ALA N N 120.994 0.000 1
287 26 ALA C C 179.951 0.000 1
288 26 ALA CA C 55.105 0.000 1
289 26 ALA CB C 17.903 0.000 1
290 26 ALA H H 7.828 0.001 1
291 26 ALA HA H 4.221 0.000 1
292 26 ALA HB1 H 1.680 0.000 1
293 26 ALA HB2 H 1.680 0.000 1
294 26 ALA HB3 H 1.680 0.000 1
295 26 ALA N N 122.691 0.028 1
296 27 ALA C C 180.772 0.000 1
297 27 ALA CA C 55.028 0.000 1
298 27 ALA CB C 18.154 0.000 1
299 27 ALA H H 8.566 0.003 1
300 27 ALA HA H 3.998 0.000 1
301 27 ALA HB1 H 1.569 0.000 1
302 27 ALA HB2 H 1.569 0.000 1
303 27 ALA HB3 H 1.569 0.000 1
304 27 ALA N N 120.168 0.025 1
305 28 LYS C C 179.462 0.000 1
306 28 LYS CA C 59.061 0.000 1
307 28 LYS CB C 32.132 0.000 1
308 28 LYS CD C 28.974 0.000 1
309 28 LYS CE C 42.266 0.000 1
310 28 LYS CG C 25.267 0.000 1
311 28 LYS H H 8.131 0.001 1
312 28 LYS HA H 4.132 0.000 1
313 28 LYS HB2 H 1.971 0.000 1
314 28 LYS HB3 H 2.043 0.000 1
315 28 LYS HD2 H 1.762 0.000 1
316 28 LYS HD3 H 1.762 0.000 1
317 28 LYS HE2 H 3.040 0.000 1
318 28 LYS HE3 H 3.040 0.000 1
319 28 LYS HG2 H 1.595 0.000 1
320 28 LYS HG3 H 1.595 0.000 1
321 28 LYS N N 118.714 0.026 1
322 29 LYS C C 179.332 0.000 1
323 29 LYS CA C 59.227 0.000 1
324 29 LYS CB C 32.139 0.000 1
325 29 LYS CD C 29.139 0.000 1
326 29 LYS CE C 42.204 0.000 1
327 29 LYS CG C 25.518 0.000 1
328 29 LYS H H 7.628 0.002 1
329 29 LYS HA H 4.135 0.000 1
330 29 LYS HB2 H 2.028 0.000 1
331 29 LYS HB3 H 2.028 0.000 1
332 29 LYS HD2 H 1.772 0.000 1
333 29 LYS HD3 H 1.772 0.000 1
334 29 LYS HE2 H 3.037 0.000 1
335 29 LYS HE3 H 3.037 0.000 1
336 29 LYS HG2 H 1.522 0.000 1
337 29 LYS HG3 H 1.522 0.000 1
338 29 LYS N N 118.640 0.015 1
339 30 LEU C C 178.817 0.000 1
340 30 LEU CA C 56.783 0.000 1
341 30 LEU CB C 41.988 0.000 1
342 30 LEU CD1 C 23.258 0.000 1
343 30 LEU CD2 C 26.291 0.000 1
344 30 LEU CG C 26.959 0.000 1
345 30 LEU H H 7.699 0.001 1
346 30 LEU HA H 4.214 0.000 1
347 30 LEU HB2 H 2.109 0.000 1
348 30 LEU HB3 H 1.541 0.000 1
349 30 LEU HD11 H 0.921 0.000 1
350 30 LEU HD12 H 0.921 0.000 1
351 30 LEU HD13 H 0.921 0.000 1
352 30 LEU HD21 H 0.958 0.000 1
353 30 LEU HD22 H 0.958 0.000 1
354 30 LEU HD23 H 0.958 0.000 1
355 30 LEU HG H 1.954 0.000 1
356 30 LEU N N 117.325 0.018 1
357 31 GLU C C 177.272 0.000 1
358 31 GLU CA C 58.273 0.000 1
359 31 GLU CB C 29.959 0.000 1
360 31 GLU CG C 36.242 0.000 1
361 31 GLU H H 7.759 0.001 1
362 31 GLU HA H 4.116 0.000 1
363 31 GLU HB2 H 2.241 0.000 1
364 31 GLU HB3 H 2.241 0.000 1
365 31 GLU HG2 H 2.505 0.000 1
366 31 GLU HG3 H 2.394 0.000 1
367 31 GLU N N 117.191 0.017 1
368 32 GLN C C 176.199 0.000 1
369 32 GLN CA C 55.973 0.000 1
370 32 GLN CB C 29.176 0.001 1
371 32 GLN CG C 34.018 0.004 1
372 32 GLN H H 7.587 0.000 1
373 32 GLN HA H 4.344 0.000 1
374 32 GLN HB2 H 2.114 0.000 1
375 32 GLN HB3 H 2.343 0.000 1
376 32 GLN HE21 H 6.883 0.000 1
377 32 GLN HE22 H 7.513 0.000 1
378 32 GLN HG2 H 2.508 0.000 1
379 32 GLN HG3 H 2.574 0.000 1
380 32 GLN N N 115.061 0.012 1
381 32 GLN NE2 N 111.709 0.007 1
382 33 LEU C C 176.262 0.000 1
383 33 LEU CA C 55.304 0.000 1
384 33 LEU CB C 42.914 0.004 1
385 33 LEU CD1 C 25.659 0.000 1
386 33 LEU CD2 C 23.371 0.000 1
387 33 LEU CG C 26.785 0.000 1
388 33 LEU H H 7.419 0.000 1
389 33 LEU HA H 4.356 0.000 1
390 33 LEU HB2 H 1.510 0.000 1
391 33 LEU HB3 H 1.949 0.000 1
392 33 LEU HD11 H 1.013 0.000 1
393 33 LEU HD12 H 1.013 0.000 1
394 33 LEU HD13 H 1.013 0.000 1
395 33 LEU HD21 H 0.946 0.000 1
396 33 LEU HD22 H 0.946 0.000 1
397 33 LEU HD23 H 0.946 0.000 1
398 33 LEU HG H 1.883 0.000 1
399 33 LEU N N 120.253 0.018 1
400 34 LYS C C 173.854 0.000 1
401 34 LYS CA C 53.412 0.000 1
402 34 LYS CB C 33.369 0.020 1
403 34 LYS CD C 29.139 0.000 1
404 34 LYS CE C 42.311 0.000 1
405 34 LYS CG C 24.464 0.000 1
406 34 LYS H H 8.217 0.006 1
407 34 LYS HA H 4.767 0.000 1
408 34 LYS HB2 H 1.769 0.000 1
409 34 LYS HB3 H 1.884 0.000 1
410 34 LYS HD2 H 1.772 0.000 1
411 34 LYS HD3 H 1.772 0.000 1
412 34 LYS HE2 H 3.086 0.000 1
413 34 LYS HE3 H 3.086 0.000 1
414 34 LYS HG2 H 1.492 0.000 1
415 34 LYS HG3 H 1.492 0.000 1
416 34 LYS N N 121.684 0.022 1
417 35 PRO C C 176.580 0.000 1
418 35 PRO CA C 63.028 0.000 1
419 35 PRO CB C 32.291 0.002 1
420 35 PRO CD C 50.670 0.000 1
421 35 PRO CG C 27.597 0.018 1
422 35 PRO HA H 4.507 0.000 1
423 35 PRO HB2 H 2.029 0.000 1
424 35 PRO HB3 H 2.344 0.000 1
425 35 PRO HD2 H 3.753 0.000 1
426 35 PRO HD3 H 3.753 0.000 1
427 35 PRO HG2 H 1.945 0.000 1
428 35 PRO HG3 H 2.136 0.000 1
429 36 ARG C C 176.082 0.000 1
430 36 ARG CA C 56.287 0.000 1
431 36 ARG CB C 31.109 0.000 1
432 36 ARG CD C 43.618 0.000 1
433 36 ARG CG C 27.355 0.000 1
434 36 ARG H H 8.588 0.002 1
435 36 ARG HA H 4.361 0.000 1
436 36 ARG HB2 H 1.916 0.000 1
437 36 ARG HB3 H 1.916 0.000 1
438 36 ARG HD2 H 3.307 0.000 1
439 36 ARG HD3 H 3.307 0.000 1
440 36 ARG HG2 H 1.785 0.000 1
441 36 ARG HG3 H 1.785 0.000 1
442 36 ARG N N 121.503 0.074 1
443 37 ALA C C 177.283 0.000 1
444 37 ALA CA C 52.660 0.000 1
445 37 ALA CB C 19.436 0.000 1
446 37 ALA H H 8.353 0.002 1
447 37 ALA HA H 4.381 0.000 1
448 37 ALA HB1 H 1.454 0.000 1
449 37 ALA HB2 H 1.454 0.000 1
450 37 ALA HB3 H 1.454 0.000 1
451 37 ALA N N 125.415 0.034 1
452 38 LYS C C 174.543 0.000 1
453 38 LYS CA C 54.158 0.000 1
454 38 LYS CB C 32.889 0.001 1
455 38 LYS CD C 29.232 0.000 1
456 38 LYS CE C 42.235 0.000 1
457 38 LYS CG C 24.527 0.000 1
458 38 LYS H H 8.236 0.001 1
459 38 LYS HA H 4.705 0.000 1
460 38 LYS HB2 H 1.792 0.000 1
461 38 LYS HB3 H 1.911 0.000 1
462 38 LYS HD2 H 1.782 0.000 1
463 38 LYS HD3 H 1.782 0.000 1
464 38 LYS HE2 H 3.099 0.000 1
465 38 LYS HE3 H 3.099 0.000 1
466 38 LYS HG2 H 1.546 0.000 1
467 38 LYS HG3 H 1.546 0.000 1
468 38 LYS N N 121.641 0.020 1
469 39 PRO C C 177.002 0.000 1
470 39 PRO CA C 63.390 0.000 1
471 39 PRO CB C 32.203 0.003 1
472 39 PRO CD C 50.737 0.003 1
473 39 PRO CG C 27.579 0.000 1
474 39 PRO HA H 4.501 0.000 1
475 39 PRO HB2 H 2.024 0.000 1
476 39 PRO HB3 H 2.408 0.000 1
477 39 PRO HD2 H 3.721 0.000 1
478 39 PRO HD3 H 3.892 0.000 1
479 39 PRO HG2 H 2.136 0.000 1
480 39 PRO HG3 H 2.136 0.000 1
481 40 LYS C C 176.870 0.000 1
482 40 LYS CA C 57.019 0.000 1
483 40 LYS CB C 32.975 0.000 1
484 40 LYS CD C 29.152 0.000 1
485 40 LYS CE C 42.235 0.000 1
486 40 LYS CG C 24.747 0.000 1
487 40 LYS H H 8.437 0.002 1
488 40 LYS HA H 4.319 0.000 1
489 40 LYS HB2 H 1.909 0.000 1
490 40 LYS HB3 H 1.909 0.000 1
491 40 LYS HD2 H 1.780 0.000 1
492 40 LYS HD3 H 1.780 0.000 1
493 40 LYS HE2 H 3.099 0.000 1
494 40 LYS HE3 H 3.099 0.000 1
495 40 LYS HG2 H 1.541 0.000 1
496 40 LYS HG3 H 1.541 0.000 1
497 40 LYS N N 121.106 0.031 1
498 41 GLU C C 176.436 0.000 1
499 41 GLU CA C 56.735 0.000 1
500 41 GLU CB C 30.149 0.017 1
501 41 GLU CG C 36.313 0.000 1
502 41 GLU H H 8.524 0.005 1
503 41 GLU HA H 4.371 0.000 1
504 41 GLU HB2 H 2.035 0.000 1
505 41 GLU HB3 H 2.198 0.000 1
506 41 GLU HG2 H 2.367 0.000 1
507 41 GLU HG3 H 2.367 0.000 1
508 41 GLU N N 120.712 0.038 1
509 42 ALA C C 177.401 0.000 1
510 42 ALA CA C 53.067 0.000 1
511 42 ALA CB C 19.321 0.000 1
512 42 ALA H H 8.272 0.003 1
513 42 ALA HA H 4.364 0.000 1
514 42 ALA HB1 H 1.496 0.000 1
515 42 ALA HB2 H 1.496 0.000 1
516 42 ALA HB3 H 1.496 0.000 1
517 42 ALA N N 123.534 0.021 1
518 43 ASP C C 176.588 0.000 1
519 43 ASP CA C 54.607 0.000 1
520 43 ASP CB C 41.411 0.000 1
521 43 ASP H H 8.201 0.002 1
522 43 ASP HA H 4.647 0.000 1
523 43 ASP HB2 H 2.788 0.000 1
524 43 ASP HB3 H 2.788 0.000 1
525 43 ASP N N 118.633 0.008 1
526 44 GLU C C 176.977 0.000 1
527 44 GLU CA C 57.370 0.000 1
528 44 GLU CB C 30.135 0.004 1
529 44 GLU CG C 36.313 0.000 1
530 44 GLU H H 8.408 0.001 1
531 44 GLU HA H 4.345 0.000 1
532 44 GLU HB2 H 2.081 0.000 1
533 44 GLU HB3 H 2.198 0.000 1
534 44 GLU HG2 H 2.367 0.000 1
535 44 GLU HG3 H 2.367 0.000 1
536 44 GLU N N 121.153 0.026 1
537 45 SER C C 174.724 0.000 1
538 45 SER CA C 59.425 0.000 1
539 45 SER CB C 63.805 0.000 1
540 45 SER H H 8.389 0.004 1
541 45 SER HA H 4.429 0.000 1
542 45 SER HB2 H 3.976 0.000 1
543 45 SER HB3 H 3.976 0.000 1
544 45 SER N N 116.579 0.032 1
545 46 LEU C C 177.423 0.000 1
546 46 LEU CA C 55.389 0.000 1
547 46 LEU CB C 42.518 0.000 1
548 46 LEU CD1 C 25.194 0.000 1
549 46 LEU CD2 C 23.770 0.000 1
550 46 LEU CG C 27.161 0.000 1
551 46 LEU H H 8.071 0.001 1
552 46 LEU HA H 4.435 0.000 1
553 46 LEU HB2 H 1.700 0.000 1
554 46 LEU HB3 H 1.700 0.000 1
555 46 LEU HD11 H 0.982 0.000 1
556 46 LEU HD12 H 0.982 0.000 1
557 46 LEU HD13 H 0.982 0.000 1
558 46 LEU HD21 H 0.919 0.000 1
559 46 LEU HD22 H 0.919 0.000 1
560 46 LEU HD23 H 0.919 0.000 1
561 46 LEU HG H 1.708 0.000 1
562 46 LEU N N 122.869 0.008 1
563 47 ASN C C 176.093 0.000 1
564 47 ASN CA C 53.346 0.000 1
565 47 ASN CB C 38.514 0.005 1
566 47 ASN H H 8.571 0.007 1
567 47 ASN HA H 4.792 0.000 1
568 47 ASN HB2 H 3.020 0.000 1
569 47 ASN HB3 H 3.050 0.000 1
570 47 ASN HD21 H 6.938 0.000 1
571 47 ASN HD22 H 7.680 0.000 1
572 47 ASN N N 120.584 0.034 1
573 47 ASN ND2 N 111.667 0.002 1
574 48 PHE C C 176.740 0.000 1
575 48 PHE CA C 61.087 0.000 1
576 48 PHE CB C 39.243 0.004 1
577 48 PHE CD1 C 131.935 0.000 3
578 48 PHE CD2 C 131.935 0.000 3
579 48 PHE CE1 C 131.001 0.000 3
580 48 PHE CE2 C 131.001 0.000 3
581 48 PHE CZ C 129.086 0.000 1
582 48 PHE H H 8.389 0.001 1
583 48 PHE HA H 4.400 0.000 1
584 48 PHE HB2 H 3.109 0.000 1
585 48 PHE HB3 H 3.326 0.000 1
586 48 PHE HD1 H 7.321 0.000 3
587 48 PHE HD2 H 7.321 0.000 3
588 48 PHE HE1 H 7.337 0.000 3
589 48 PHE HE2 H 7.337 0.000 3
590 48 PHE HZ H 7.183 0.000 1
591 48 PHE N N 120.940 0.019 1
592 49 GLU C C 178.327 0.000 1
593 49 GLU CA C 61.398 0.000 1
594 49 GLU CB C 28.909 0.000 1
595 49 GLU CG C 37.563 0.007 1
596 49 GLU H H 8.969 0.000 1
597 49 GLU HA H 3.652 0.000 1
598 49 GLU HB2 H 1.958 0.000 1
599 49 GLU HB3 H 1.958 0.000 1
600 49 GLU HG2 H 2.603 0.000 1
601 49 GLU HG3 H 2.384 0.000 1
602 49 GLU N N 119.424 0.023 1
603 50 GLU C C 179.056 0.000 1
604 50 GLU CA C 59.715 0.000 1
605 50 GLU CB C 29.992 0.000 1
606 50 GLU CG C 36.829 0.007 1
607 50 GLU H H 8.265 0.003 1
608 50 GLU HA H 4.019 0.000 1
609 50 GLU HB2 H 2.161 0.000 1
610 50 GLU HB3 H 2.264 0.000 1
611 50 GLU HG2 H 2.344 0.000 1
612 50 GLU HG3 H 2.504 0.000 1
613 50 GLU N N 117.969 0.023 1
614 51 GLN C C 179.948 0.000 1
615 51 GLN CA C 59.487 0.000 1
616 51 GLN CB C 28.819 0.007 1
617 51 GLN CG C 34.625 0.001 1
618 51 GLN H H 8.215 0.005 1
619 51 GLN HA H 4.101 0.000 1
620 51 GLN HB2 H 2.320 0.000 1
621 51 GLN HB3 H 2.143 0.000 1
622 51 GLN HE21 H 7.301 0.000 1
623 51 GLN HE22 H 6.843 0.000 1
624 51 GLN HG2 H 2.603 0.000 1
625 51 GLN HG3 H 2.431 0.000 1
626 51 GLN N N 118.454 0.015 1
627 51 GLN NE2 N 111.659 0.002 1
628 52 ILE C C 177.179 0.000 1
629 52 ILE CA C 63.830 0.000 1
630 52 ILE CB C 36.724 0.000 1
631 52 ILE CD1 C 12.269 0.000 1
632 52 ILE CG1 C 28.576 0.011 1
633 52 ILE CG2 C 17.881 0.000 1
634 52 ILE H H 8.314 0.001 1
635 52 ILE HA H 3.678 0.000 1
636 52 ILE HB H 1.931 0.000 1
637 52 ILE HD11 H 0.668 0.000 1
638 52 ILE HD12 H 0.668 0.000 1
639 52 ILE HD13 H 0.668 0.000 1
640 52 ILE HG12 H 0.988 0.000 1
641 52 ILE HG13 H 1.295 0.000 1
642 52 ILE HG21 H 0.826 0.000 1
643 52 ILE HG22 H 0.826 0.000 1
644 52 ILE HG23 H 0.826 0.000 1
645 52 ILE N N 120.333 0.030 1
646 53 LEU C C 178.790 0.000 1
647 53 LEU CA C 58.586 0.000 1
648 53 LEU CB C 41.823 0.000 1
649 53 LEU CD1 C 24.597 0.000 1
650 53 LEU CD2 C 25.023 0.000 1
651 53 LEU CG C 27.355 0.000 1
652 53 LEU H H 8.098 0.001 1
653 53 LEU HA H 4.014 0.000 1
654 53 LEU HB2 H 1.768 0.000 1
655 53 LEU HB3 H 1.908 0.000 1
656 53 LEU HD11 H 1.044 0.000 1
657 53 LEU HD12 H 1.044 0.000 1
658 53 LEU HD13 H 1.044 0.000 1
659 53 LEU HD21 H 1.001 0.000 1
660 53 LEU HD22 H 1.001 0.000 1
661 53 LEU HD23 H 1.001 0.000 1
662 53 LEU HG H 1.785 0.000 1
663 53 LEU N N 120.875 0.019 1
664 54 GLU C C 179.768 0.000 1
665 54 GLU CA C 59.479 0.000 1
666 54 GLU CB C 29.303 0.000 1
667 54 GLU CG C 36.181 0.000 1
668 54 GLU H H 8.422 0.000 1
669 54 GLU HA H 4.072 0.000 1
670 54 GLU HB2 H 2.160 0.000 1
671 54 GLU HB3 H 2.160 0.000 1
672 54 GLU HG2 H 2.453 0.000 1
673 54 GLU HG3 H 2.453 0.000 1
674 54 GLU N N 117.645 0.016 1
675 55 ALA C C 180.355 0.000 1
676 55 ALA CA C 55.067 0.000 1
677 55 ALA CB C 18.052 0.000 1
678 55 ALA H H 8.133 0.001 1
679 55 ALA HA H 4.359 0.000 1
680 55 ALA HB1 H 1.606 0.000 1
681 55 ALA HB2 H 1.606 0.000 1
682 55 ALA HB3 H 1.606 0.000 1
683 55 ALA N N 121.835 0.019 1
684 56 ALA C C 179.081 0.000 1
685 56 ALA CA C 55.375 0.000 1
686 56 ALA CB C 18.025 0.000 1
687 56 ALA H H 8.884 0.003 1
688 56 ALA HA H 4.046 0.000 1
689 56 ALA HB1 H 1.474 0.000 1
690 56 ALA HB2 H 1.474 0.000 1
691 56 ALA HB3 H 1.474 0.000 1
692 56 ALA N N 121.856 0.065 1
693 57 LYS C C 180.038 0.000 1
694 57 LYS CA C 60.760 0.000 1
695 57 LYS CB C 32.232 0.000 1
696 57 LYS CD C 29.980 0.000 1
697 57 LYS CE C 42.084 0.000 1
698 57 LYS CG C 26.589 0.000 1
699 57 LYS H H 8.553 0.002 1
700 57 LYS HA H 3.898 0.000 1
701 57 LYS HB2 H 2.033 0.000 1
702 57 LYS HB3 H 2.033 0.000 1
703 57 LYS HD2 H 1.754 0.000 1
704 57 LYS HD3 H 1.754 0.000 1
705 57 LYS HE2 H 2.876 0.000 1
706 57 LYS HE3 H 2.876 0.000 1
707 57 LYS HG2 H 1.550 0.000 1
708 57 LYS HG3 H 1.550 0.000 1
709 57 LYS N N 117.953 0.015 1
710 58 SER C C 180.061 0.000 1
711 58 SER CA C 62.186 0.000 1
712 58 SER CB C 62.975 0.004 1
713 58 SER H H 8.204 0.001 1
714 58 SER HA H 4.412 0.000 1
715 58 SER HB2 H 4.250 0.000 1
716 58 SER HB3 H 4.091 0.000 1
717 58 SER N N 116.115 0.020 1
718 59 ILE C C 177.505 0.000 1
719 59 ILE CA C 66.090 0.000 1
720 59 ILE CB C 37.970 0.000 1
721 59 ILE CD1 C 15.638 0.000 1
722 59 ILE CG1 C 30.987 0.000 1
723 59 ILE CG2 C 18.813 0.000 1
724 59 ILE H H 8.485 0.001 1
725 59 ILE HA H 3.701 0.000 1
726 59 ILE HB H 2.116 0.000 1
727 59 ILE HD11 H 0.969 0.000 1
728 59 ILE HD12 H 0.969 0.000 1
729 59 ILE HD13 H 0.969 0.000 1
730 59 ILE HG12 H 0.971 0.000 1
731 59 ILE HG13 H 2.066 0.000 1
732 59 ILE HG21 H 1.037 0.000 1
733 59 ILE HG22 H 1.037 0.000 1
734 59 ILE HG23 H 1.037 0.000 1
735 59 ILE N N 123.138 0.028 1
736 60 ALA C C 178.923 0.000 1
737 60 ALA CA C 55.156 0.000 1
738 60 ALA CB C 17.403 0.000 1
739 60 ALA H H 8.357 0.001 1
740 60 ALA HA H 4.132 0.000 1
741 60 ALA HB1 H 1.390 0.000 1
742 60 ALA HB2 H 1.390 0.000 1
743 60 ALA HB3 H 1.390 0.000 1
744 60 ALA N N 123.334 0.011 1
745 61 ALA C C 180.770 0.000 1
746 61 ALA CA C 55.065 0.000 1
747 61 ALA CB C 17.949 0.000 1
748 61 ALA H H 8.154 0.001 1
749 61 ALA HA H 4.204 0.000 1
750 61 ALA HB1 H 1.602 0.000 1
751 61 ALA HB2 H 1.602 0.000 1
752 61 ALA HB3 H 1.602 0.000 1
753 61 ALA N N 119.692 0.004 1
754 62 ALA C C 180.469 0.000 1
755 62 ALA CA C 54.938 0.000 1
756 62 ALA CB C 18.329 0.000 1
757 62 ALA H H 8.098 0.001 1
758 62 ALA HA H 4.400 0.000 1
759 62 ALA HB1 H 1.604 0.000 1
760 62 ALA HB2 H 1.604 0.000 1
761 62 ALA HB3 H 1.604 0.000 1
762 62 ALA N N 121.273 0.017 1
763 63 THR C C 177.552 0.000 1
764 63 THR CA C 65.960 0.000 1
765 63 THR CB C 68.420 0.000 1
766 63 THR CG2 C 24.096 0.000 1
767 63 THR H H 9.273 0.004 1
768 63 THR HA H 4.009 0.000 1
769 63 THR HB H 4.131 0.000 1
770 63 THR HG21 H 1.285 0.000 1
771 63 THR HG22 H 1.285 0.000 1
772 63 THR HG23 H 1.285 0.000 1
773 63 THR N N 113.232 0.015 1
774 64 SER C C 176.596 0.000 1
775 64 SER CA C 62.410 0.000 1
776 64 SER CB C 62.679 0.000 1
777 64 SER H H 8.154 0.000 1
778 64 SER HA H 4.173 0.000 1
779 64 SER HB2 H 4.137 0.000 1
780 64 SER HB3 H 4.137 0.000 1
781 64 SER N N 117.991 0.000 1
782 65 ALA C C 180.775 0.000 1
783 65 ALA CA C 55.221 0.000 1
784 65 ALA CB C 17.683 0.000 1
785 65 ALA H H 7.647 0.000 1
786 65 ALA HA H 4.148 0.000 1
787 65 ALA HB1 H 1.641 0.000 1
788 65 ALA HB2 H 1.641 0.000 1
789 65 ALA HB3 H 1.641 0.000 1
790 65 ALA N N 121.344 0.009 1
791 66 LEU C C 177.867 0.000 1
792 66 LEU CA C 58.608 0.000 1
793 66 LEU CB C 42.587 0.000 1
794 66 LEU CD1 C 25.227 0.000 1
795 66 LEU CD2 C 28.922 0.000 1
796 66 LEU CG C 26.708 0.000 1
797 66 LEU H H 8.395 0.001 1
798 66 LEU HA H 3.992 0.000 1
799 66 LEU HB2 H 2.371 0.000 1
800 66 LEU HB3 H 1.660 0.000 1
801 66 LEU HD11 H 1.015 0.000 1
802 66 LEU HD12 H 1.015 0.000 1
803 66 LEU HD13 H 1.015 0.000 1
804 66 LEU HD21 H 1.142 0.000 1
805 66 LEU HD22 H 1.142 0.000 1
806 66 LEU HD23 H 1.142 0.000 1
807 66 LEU HG H 1.636 0.000 1
808 66 LEU N N 120.493 0.023 1
809 67 VAL C C 178.481 0.000 1
810 67 VAL CA C 67.426 0.000 1
811 67 VAL CB C 31.441 0.000 1
812 67 VAL CG1 C 23.133 0.000 1
813 67 VAL CG2 C 23.439 0.000 1
814 67 VAL H H 8.301 0.001 1
815 67 VAL HA H 3.651 0.000 1
816 67 VAL HB H 2.219 0.000 1
817 67 VAL HG11 H 1.106 0.000 1
818 67 VAL HG12 H 1.106 0.000 1
819 67 VAL HG13 H 1.106 0.000 1
820 67 VAL HG21 H 1.100 0.000 1
821 67 VAL HG22 H 1.100 0.000 1
822 67 VAL HG23 H 1.100 0.000 1
823 67 VAL N N 117.866 0.020 1
824 68 LYS C C 180.053 0.000 1
825 68 LYS CA C 60.686 0.000 1
826 68 LYS CB C 32.281 0.000 1
827 68 LYS CD C 29.560 0.000 1
828 68 LYS CE C 42.180 0.000 1
829 68 LYS CG C 26.458 0.003 1
830 68 LYS H H 8.371 0.001 1
831 68 LYS HA H 4.069 0.000 1
832 68 LYS HB2 H 1.959 0.000 1
833 68 LYS HB3 H 1.959 0.000 1
834 68 LYS HD2 H 1.745 0.000 1
835 68 LYS HD3 H 1.745 0.000 1
836 68 LYS HE2 H 2.970 0.000 1
837 68 LYS HE3 H 2.970 0.000 1
838 68 LYS HG2 H 1.751 0.000 1
839 68 LYS HG3 H 1.412 0.000 1
840 68 LYS N N 120.379 0.001 1
841 69 ALA C C 180.265 0.000 1
842 69 ALA CA C 55.109 0.000 1
843 69 ALA CB C 17.308 0.000 1
844 69 ALA H H 8.464 0.001 1
845 69 ALA HA H 4.342 0.000 1
846 69 ALA HB1 H 1.617 0.000 1
847 69 ALA HB2 H 1.617 0.000 1
848 69 ALA HB3 H 1.617 0.000 1
849 69 ALA N N 123.696 0.024 1
850 70 ALA C C 178.860 0.000 1
851 70 ALA CA C 55.053 0.000 1
852 70 ALA CB C 17.975 0.000 1
853 70 ALA H H 8.700 0.002 1
854 70 ALA HA H 4.248 0.000 1
855 70 ALA HB1 H 1.591 0.000 1
856 70 ALA HB2 H 1.591 0.000 1
857 70 ALA HB3 H 1.591 0.000 1
858 70 ALA N N 123.461 0.030 1
859 71 SER C C 178.880 0.000 1
860 71 SER CA C 61.818 0.000 1
861 71 SER CB C 62.797 0.012 1
862 71 SER H H 8.256 0.001 1
863 71 SER HA H 4.267 0.000 1
864 71 SER HB2 H 4.097 0.000 1
865 71 SER HB3 H 4.154 0.000 1
866 71 SER N N 113.775 0.022 1
867 72 ALA C C 180.226 0.000 1
868 72 ALA CA C 55.050 0.000 1
869 72 ALA CB C 17.998 0.000 1
870 72 ALA H H 7.895 0.000 1
871 72 ALA HA H 4.269 0.000 1
872 72 ALA HB1 H 1.651 0.000 1
873 72 ALA HB2 H 1.651 0.000 1
874 72 ALA HB3 H 1.651 0.000 1
875 72 ALA N N 123.566 0.015 1
876 73 ALA C C 179.339 0.000 1
877 73 ALA CA C 55.002 0.000 1
878 73 ALA CB C 17.780 0.000 1
879 73 ALA H H 8.384 0.004 1
880 73 ALA HA H 4.145 0.000 1
881 73 ALA HB1 H 1.568 0.000 1
882 73 ALA HB2 H 1.568 0.000 1
883 73 ALA HB3 H 1.568 0.000 1
884 73 ALA N N 121.475 0.029 1
885 74 GLN C C 177.450 0.000 1
886 74 GLN CA C 60.225 0.000 1
887 74 GLN CB C 27.176 0.000 1
888 74 GLN CG C 33.827 0.000 1
889 74 GLN H H 8.448 0.002 1
890 74 GLN HA H 4.179 0.000 1
891 74 GLN HB2 H 2.495 0.000 1
892 74 GLN HB3 H 2.129 0.000 1
893 74 GLN HE21 H 7.263 0.000 1
894 74 GLN HE22 H 6.405 0.000 1
895 74 GLN HG2 H 2.458 0.000 1
896 74 GLN HG3 H 2.458 0.000 1
897 74 GLN N N 118.377 0.035 1
898 74 GLN NE2 N 106.335 0.000 1
899 75 ARG C C 179.220 0.000 1
900 75 ARG CA C 59.310 0.000 1
901 75 ARG CB C 30.081 0.003 1
902 75 ARG CD C 43.590 0.000 1
903 75 ARG CG C 27.720 0.003 1
904 75 ARG H H 8.090 0.002 1
905 75 ARG HA H 4.064 0.000 1
906 75 ARG HB2 H 2.020 0.000 1
907 75 ARG HB3 H 2.071 0.000 1
908 75 ARG HD2 H 3.321 0.000 1
909 75 ARG HD3 H 3.321 0.000 1
910 75 ARG HG2 H 1.971 0.000 1
911 75 ARG HG3 H 1.797 0.000 1
912 75 ARG N N 117.867 0.019 1
913 76 GLU C C 178.378 0.000 1
914 76 GLU CA C 59.289 0.000 1
915 76 GLU CB C 29.901 0.000 1
916 76 GLU CG C 36.807 0.003 1
917 76 GLU H H 7.992 0.001 1
918 76 GLU HA H 4.245 0.000 1
919 76 GLU HB2 H 2.240 0.000 1
920 76 GLU HB3 H 2.240 0.000 1
921 76 GLU HG2 H 2.485 0.000 1
922 76 GLU HG3 H 2.329 0.000 1
923 76 GLU N N 119.964 0.031 1
924 77 LEU C C 179.841 0.000 1
925 77 LEU CA C 57.894 0.000 1
926 77 LEU CB C 42.167 0.000 1
927 77 LEU CD1 C 23.724 0.000 1
928 77 LEU CD2 C 26.195 0.000 1
929 77 LEU CG C 27.059 0.000 1
930 77 LEU H H 8.043 0.001 1
931 77 LEU HA H 4.135 0.000 1
932 77 LEU HB2 H 1.346 0.000 1
933 77 LEU HB3 H 1.346 0.000 1
934 77 LEU HD11 H 0.833 0.000 1
935 77 LEU HD12 H 0.833 0.000 1
936 77 LEU HD13 H 0.833 0.000 1
937 77 LEU HD21 H 0.822 0.000 1
938 77 LEU HD22 H 0.822 0.000 1
939 77 LEU HD23 H 0.822 0.000 1
940 77 LEU HG H 1.959 0.000 1
941 77 LEU N N 119.265 0.018 1
942 78 VAL C C 179.580 0.000 1
943 78 VAL CA C 65.531 0.000 1
944 78 VAL CB C 32.172 0.000 1
945 78 VAL CG1 C 22.639 0.000 1
946 78 VAL CG2 C 21.376 0.000 1
947 78 VAL H H 8.123 0.002 1
948 78 VAL HA H 4.027 0.000 1
949 78 VAL HB H 2.265 0.000 1
950 78 VAL HG11 H 1.153 0.000 1
951 78 VAL HG12 H 1.153 0.000 1
952 78 VAL HG13 H 1.153 0.000 1
953 78 VAL HG21 H 1.079 0.000 1
954 78 VAL HG22 H 1.079 0.000 1
955 78 VAL HG23 H 1.079 0.000 1
956 78 VAL N N 119.466 0.047 1
957 79 ALA C C 179.816 0.000 1
958 79 ALA CA C 55.014 0.000 1
959 79 ALA CB C 18.280 0.000 1
960 79 ALA H H 8.347 0.005 1
961 79 ALA HA H 4.267 0.000 1
962 79 ALA HB1 H 1.644 0.000 1
963 79 ALA HB2 H 1.644 0.000 1
964 79 ALA HB3 H 1.644 0.000 1
965 79 ALA N N 124.456 0.028 1
966 80 GLN C C 177.150 0.000 1
967 80 GLN CA C 56.627 0.000 1
968 80 GLN CB C 29.397 0.000 1
969 80 GLN CG C 34.282 0.002 1
970 80 GLN H H 8.112 0.000 1
971 80 GLN HA H 4.379 0.000 1
972 80 GLN HB2 H 2.162 0.000 1
973 80 GLN HB3 H 2.329 0.000 1
974 80 GLN HE21 H 6.842 0.000 1
975 80 GLN HE22 H 7.441 0.000 1
976 80 GLN HG2 H 2.726 0.000 1
977 80 GLN HG3 H 2.550 0.000 1
978 80 GLN N N 114.864 0.001 1
979 80 GLN NE2 N 110.397 0.000 1
980 81 GLY C C 175.184 0.000 1
981 81 GLY CA C 46.165 0.000 1
982 81 GLY H H 8.159 0.001 1
983 81 GLY HA2 H 4.022 0.000 1
984 81 GLY HA3 H 4.109 0.000 1
985 81 GLY N N 108.032 0.016 1
986 82 LYS C C 176.669 0.000 1
987 82 LYS CA C 57.095 0.000 1
988 82 LYS CB C 32.975 0.000 1
989 82 LYS CD C 29.152 0.000 1
990 82 LYS CE C 42.311 0.000 1
991 82 LYS CG C 24.747 0.000 1
992 82 LYS H H 8.230 0.002 1
993 82 LYS HA H 4.323 0.000 1
994 82 LYS HB2 H 1.909 0.000 1
995 82 LYS HB3 H 1.909 0.000 1
996 82 LYS HD2 H 1.780 0.000 1
997 82 LYS HD3 H 1.780 0.000 1
998 82 LYS HE2 H 3.086 0.000 1
999 82 LYS HE3 H 3.086 0.000 1
1000 82 LYS HG2 H 1.541 0.000 1
1001 82 LYS HG3 H 1.541 0.000 1
1002 82 LYS N N 119.057 0.010 1
1003 83 VAL C C 176.037 0.000 1
1004 83 VAL CA C 61.567 0.000 1
1005 83 VAL CB C 34.303 0.000 1
1006 83 VAL CG1 C 21.425 0.000 1
1007 83 VAL CG2 C 20.979 0.000 1
1008 83 VAL H H 7.440 0.004 1
1009 83 VAL HA H 4.282 0.000 1
1010 83 VAL HB H 1.933 0.000 1
1011 83 VAL HG11 H 0.886 0.000 1
1012 83 VAL HG12 H 0.886 0.000 1
1013 83 VAL HG13 H 0.886 0.000 1
1014 83 VAL HG21 H 0.816 0.000 1
1015 83 VAL HG22 H 0.816 0.000 1
1016 83 VAL HG23 H 0.816 0.000 1
1017 83 VAL N N 115.853 0.006 1
1018 84 GLY C C 173.772 0.000 1
1019 84 GLY CA C 45.808 0.011 1
1020 84 GLY H H 8.723 0.006 1
1021 84 GLY HA2 H 4.106 0.000 1
1022 84 GLY HA3 H 3.959 0.000 1
1023 84 GLY N N 111.791 0.023 1
1024 85 ALA C C 177.402 0.000 1
1025 85 ALA CA C 52.715 0.000 1
1026 85 ALA CB C 20.283 0.000 1
1027 85 ALA H H 8.311 0.006 1
1028 85 ALA HA H 4.529 0.000 1
1029 85 ALA HB1 H 1.472 0.000 1
1030 85 ALA HB2 H 1.472 0.000 1
1031 85 ALA HB3 H 1.472 0.000 1
1032 85 ALA N N 122.533 0.032 1
1033 86 ILE C C 175.557 0.000 1
1034 86 ILE CA C 58.338 0.000 1
1035 86 ILE CB C 39.335 0.000 1
1036 86 ILE CD1 C 12.756 0.000 1
1037 86 ILE CG1 C 26.968 0.000 1
1038 86 ILE CG2 C 17.518 0.000 1
1039 86 ILE H H 7.935 0.001 1
1040 86 ILE HA H 4.626 0.000 1
1041 86 ILE HB H 1.965 0.000 1
1042 86 ILE HD11 H 0.940 0.000 1
1043 86 ILE HD12 H 0.940 0.000 1
1044 86 ILE HD13 H 0.940 0.000 1
1045 86 ILE HG12 H 1.212 0.000 1
1046 86 ILE HG13 H 1.586 0.000 1
1047 86 ILE HG21 H 0.999 0.000 1
1048 86 ILE HG22 H 0.999 0.000 1
1049 86 ILE HG23 H 0.999 0.000 1
1050 86 ILE N N 119.563 0.032 1
1051 87 PRO C C 178.077 0.000 1
1052 87 PRO CA C 64.873 0.000 1
1053 87 PRO CB C 32.162 0.000 1
1054 87 PRO CD C 51.242 0.001 1
1055 87 PRO CG C 27.496 0.000 1
1056 87 PRO HA H 4.402 0.000 1
1057 87 PRO HB2 H 2.065 0.000 1
1058 87 PRO HB3 H 2.452 0.000 1
1059 87 PRO HD2 H 4.036 0.000 1
1060 87 PRO HD3 H 4.116 0.000 1
1061 87 PRO HG2 H 2.188 0.000 1
1062 87 PRO HG3 H 2.073 0.000 1
1063 88 ALA C C 178.107 0.000 1
1064 88 ALA CA C 53.988 0.000 1
1065 88 ALA CB C 18.826 0.000 1
1066 88 ALA H H 8.339 0.003 1
1067 88 ALA HA H 4.306 0.000 1
1068 88 ALA HB1 H 1.490 0.000 1
1069 88 ALA HB2 H 1.490 0.000 1
1070 88 ALA HB3 H 1.490 0.000 1
1071 88 ALA N N 120.828 0.011 1
1072 89 ASN C C 175.279 0.000 1
1073 89 ASN CA C 52.788 0.000 1
1074 89 ASN CB C 38.715 0.004 1
1075 89 ASN H H 8.112 0.001 1
1076 89 ASN HA H 4.980 0.000 1
1077 89 ASN HB2 H 2.827 0.000 1
1078 89 ASN HB3 H 3.163 0.000 1
1079 89 ASN HD21 H 7.707 0.000 1
1080 89 ASN HD22 H 6.929 0.000 1
1081 89 ASN N N 115.600 0.024 1
1082 89 ASN ND2 N 111.281 0.000 1
1083 90 ALA C C 179.352 0.000 1
1084 90 ALA CA C 54.993 0.000 1
1085 90 ALA CB C 19.244 0.000 1
1086 90 ALA H H 7.942 0.002 1
1087 90 ALA HA H 4.316 0.000 1
1088 90 ALA HB1 H 1.570 0.000 1
1089 90 ALA HB2 H 1.570 0.000 1
1090 90 ALA HB3 H 1.570 0.000 1
1091 90 ALA N N 123.421 0.026 1
1092 91 LEU C C 178.549 0.000 1
1093 91 LEU CA C 56.982 0.000 1
1094 91 LEU CB C 41.756 0.004 1
1095 91 LEU CD1 C 24.891 0.000 1
1096 91 LEU CD2 C 24.003 0.000 1
1097 91 LEU CG C 27.248 0.000 1
1098 91 LEU H H 8.337 0.009 1
1099 91 LEU HA H 4.372 0.000 1
1100 91 LEU HB2 H 1.748 0.000 1
1101 91 LEU HB3 H 1.802 0.000 1
1102 91 LEU HD11 H 1.018 0.000 1
1103 91 LEU HD12 H 1.018 0.000 1
1104 91 LEU HD13 H 1.018 0.000 1
1105 91 LEU HD21 H 0.957 0.000 1
1106 91 LEU HD22 H 0.957 0.000 1
1107 91 LEU HD23 H 0.957 0.000 1
1108 91 LEU HG H 1.743 0.000 1
1109 91 LEU N N 119.697 0.029 1
1110 92 ASP C C 177.995 0.000 1
1111 92 ASP CA C 56.165 0.000 1
1112 92 ASP CB C 41.323 0.000 1
1113 92 ASP H H 8.146 0.003 1
1114 92 ASP HA H 4.630 0.000 1
1115 92 ASP HB2 H 2.810 0.000 1
1116 92 ASP HB3 H 2.810 0.000 1
1117 92 ASP N N 121.181 0.019 1
1118 93 ASP C C 178.889 0.000 1
1119 93 ASP CA C 56.783 0.000 1
1120 93 ASP CB C 40.709 0.002 1
1121 93 ASP H H 8.817 0.007 1
1122 93 ASP HA H 4.700 0.000 1
1123 93 ASP HB2 H 2.792 0.000 1
1124 93 ASP HB3 H 2.924 0.000 1
1125 93 ASP N N 121.662 0.028 1
1126 94 GLY C C 176.024 0.000 1
1127 94 GLY CA C 47.127 0.001 1
1128 94 GLY H H 8.677 0.000 1
1129 94 GLY HA2 H 4.038 0.000 1
1130 94 GLY HA3 H 4.203 0.000 1
1131 94 GLY N N 110.300 0.029 1
1132 95 GLN C C 179.026 0.000 1
1133 95 GLN CA C 58.755 0.000 1
1134 95 GLN CB C 28.644 0.000 1
1135 95 GLN CG C 34.292 0.001 1
1136 95 GLN H H 8.385 0.001 1
1137 95 GLN HA H 4.249 0.000 1
1138 95 GLN HB2 H 2.326 0.000 1
1139 95 GLN HB3 H 2.326 0.000 1
1140 95 GLN HE21 H 7.576 0.000 1
1141 95 GLN HE22 H 6.883 0.000 1
1142 95 GLN HG2 H 2.632 0.000 1
1143 95 GLN HG3 H 2.514 0.000 1
1144 95 GLN N N 121.740 0.034 1
1145 95 GLN NE2 N 111.692 0.010 1
1146 96 TRP C C 178.752 0.000 1
1147 96 TRP CA C 61.448 0.000 1
1148 96 TRP CB C 27.935 0.004 1
1149 96 TRP CD1 C 127.244 0.000 1
1150 96 TRP CE3 C 120.621 0.000 1
1151 96 TRP CH2 C 124.036 0.000 1
1152 96 TRP CZ2 C 113.929 0.000 1
1153 96 TRP CZ3 C 121.560 0.000 1
1154 96 TRP H H 8.674 0.002 1
1155 96 TRP HA H 4.441 0.000 1
1156 96 TRP HB2 H 3.516 0.000 1
1157 96 TRP HB3 H 3.615 0.000 1
1158 96 TRP HD1 H 7.467 0.000 1
1159 96 TRP HE1 H 10.364 0.000 1
1160 96 TRP HE3 H 7.723 0.000 1
1161 96 TRP HH2 H 7.067 0.000 1
1162 96 TRP HZ2 H 7.468 0.000 1
1163 96 TRP HZ3 H 7.141 0.000 1
1164 96 TRP N N 122.549 0.000 1
1165 96 TRP NE1 N 129.738 0.000 1
1166 97 SER C C 175.955 0.000 1
1167 97 SER CA C 62.808 0.000 1
1168 97 SER CB C 62.288 0.000 1
1169 97 SER H H 8.525 0.000 1
1170 97 SER HA H 3.803 0.000 1
1171 97 SER HB2 H 3.606 0.000 1
1172 97 SER HB3 H 3.606 0.000 1
1173 97 SER N N 115.972 0.000 1
1174 98 GLN C C 178.936 0.000 1
1175 98 GLN CA C 58.993 0.000 1
1176 98 GLN CB C 28.228 0.000 1
1177 98 GLN CG C 34.179 0.000 1
1178 98 GLN H H 8.246 0.004 1
1179 98 GLN HA H 4.036 0.000 1
1180 98 GLN HB2 H 2.223 0.000 1
1181 98 GLN HB3 H 2.223 0.000 1
1182 98 GLN HE21 H 6.778 0.000 1
1183 98 GLN HE22 H 7.416 0.000 1
1184 98 GLN HG2 H 2.499 0.000 1
1185 98 GLN HG3 H 2.499 0.000 1
1186 98 GLN N N 120.192 0.019 1
1187 98 GLN NE2 N 110.524 0.001 1
1188 99 GLY C C 176.470 0.000 1
1189 99 GLY CA C 46.965 0.000 1
1190 99 GLY H H 8.135 0.001 1
1191 99 GLY HA2 H 3.934 0.000 1
1192 99 GLY HA3 H 4.038 0.000 1
1193 99 GLY N N 108.331 0.028 1
1194 100 LEU C C 178.021 0.000 1
1195 100 LEU CA C 58.329 0.000 1
1196 100 LEU CB C 42.034 0.000 1
1197 100 LEU CD1 C 24.782 0.000 1
1198 100 LEU CD2 C 25.338 0.000 1
1199 100 LEU CG C 27.094 0.000 1
1200 100 LEU H H 7.626 0.002 1
1201 100 LEU HA H 3.826 0.000 1
1202 100 LEU HB2 H 1.129 0.000 1
1203 100 LEU HB3 H 1.493 0.000 1
1204 100 LEU HD11 H 0.582 0.000 1
1205 100 LEU HD12 H 0.582 0.000 1
1206 100 LEU HD13 H 0.582 0.000 1
1207 100 LEU HD21 H 0.652 0.000 1
1208 100 LEU HD22 H 0.652 0.000 1
1209 100 LEU HD23 H 0.652 0.000 1
1210 100 LEU HG H 1.332 0.000 1
1211 100 LEU N N 124.213 0.030 1
1212 101 ILE C C 178.082 0.000 1
1213 101 ILE CA C 65.947 0.000 1
1214 101 ILE CB C 38.357 0.000 1
1215 101 ILE CD1 C 14.013 0.000 1
1216 101 ILE CG1 C 29.341 0.000 1
1217 101 ILE CG2 C 17.018 0.000 1
1218 101 ILE H H 8.112 0.000 1
1219 101 ILE HA H 3.428 0.000 1
1220 101 ILE HB H 1.901 0.000 1
1221 101 ILE HD11 H 0.850 0.000 1
1222 101 ILE HD12 H 0.850 0.000 1
1223 101 ILE HD13 H 0.850 0.000 1
1224 101 ILE HG12 H 0.898 0.000 1
1225 101 ILE HG13 H 0.857 0.000 1
1226 101 ILE HG21 H 0.877 0.000 1
1227 101 ILE HG22 H 0.877 0.000 1
1228 101 ILE HG23 H 0.877 0.000 1
1229 101 ILE N N 118.615 0.046 1
1230 102 SER C C 177.210 0.000 1
1231 102 SER CA C 61.956 0.000 1
1232 102 SER CB C 62.781 0.000 1
1233 102 SER H H 8.378 0.000 1
1234 102 SER HA H 4.149 0.000 1
1235 102 SER HB2 H 4.025 0.000 1
1236 102 SER HB3 H 4.025 0.000 1
1237 102 SER N N 113.963 0.000 1
1238 103 ALA C C 179.663 0.000 1
1239 103 ALA CA C 55.050 0.000 1
1240 103 ALA CB C 17.837 0.000 1
1241 103 ALA H H 7.960 0.002 1
1242 103 ALA HA H 4.269 0.000 1
1243 103 ALA HB1 H 1.486 0.000 1
1244 103 ALA HB2 H 1.486 0.000 1
1245 103 ALA HB3 H 1.486 0.000 1
1246 103 ALA N N 122.458 0.017 1
1247 104 ALA C C 179.420 0.000 1
1248 104 ALA CA C 55.849 0.000 1
1249 104 ALA CB C 18.229 0.000 1
1250 104 ALA H H 8.664 0.000 1
1251 104 ALA HA H 3.914 0.000 1
1252 104 ALA HB1 H 1.476 0.000 1
1253 104 ALA HB2 H 1.476 0.000 1
1254 104 ALA HB3 H 1.476 0.000 1
1255 104 ALA N N 121.342 0.023 1
1256 105 ARG C C 180.120 0.000 1
1257 105 ARG CA C 60.004 0.000 1
1258 105 ARG CB C 30.149 0.000 1
1259 105 ARG CD C 44.032 0.002 1
1260 105 ARG CG C 27.969 0.000 1
1261 105 ARG H H 8.509 0.003 1
1262 105 ARG HA H 4.068 0.000 1
1263 105 ARG HB2 H 2.055 0.000 1
1264 105 ARG HB3 H 2.055 0.000 1
1265 105 ARG HD2 H 3.202 0.000 1
1266 105 ARG HD3 H 3.160 0.000 1
1267 105 ARG HG2 H 1.719 0.000 1
1268 105 ARG HG3 H 1.719 0.000 1
1269 105 ARG N N 116.842 0.023 1
1270 106 MET C C 179.240 0.000 1
1271 106 MET CA C 58.760 0.000 1
1272 106 MET CB C 32.234 0.006 1
1273 106 MET CE C 17.144 0.000 1
1274 106 MET CG C 32.527 0.001 1
1275 106 MET H H 8.106 0.001 1
1276 106 MET HA H 4.440 0.000 1
1277 106 MET HB2 H 2.451 0.000 1
1278 106 MET HB3 H 2.293 0.000 1
1279 106 MET HE1 H 2.156 0.000 1
1280 106 MET HE2 H 2.156 0.000 1
1281 106 MET HE3 H 2.156 0.000 1
1282 106 MET HG2 H 2.755 0.000 1
1283 106 MET HG3 H 2.874 0.000 1
1284 106 MET N N 120.107 0.020 1
1285 107 VAL C C 179.643 0.000 1
1286 107 VAL CA C 66.467 0.000 1
1287 107 VAL CB C 31.579 0.000 1
1288 107 VAL CG1 C 23.162 0.000 1
1289 107 VAL CG2 C 22.195 0.000 1
1290 107 VAL H H 8.430 0.001 1
1291 107 VAL HA H 3.962 0.000 1
1292 107 VAL HB H 2.289 0.000 1
1293 107 VAL HG11 H 1.063 0.000 1
1294 107 VAL HG12 H 1.063 0.000 1
1295 107 VAL HG13 H 1.063 0.000 1
1296 107 VAL HG21 H 0.929 0.000 1
1297 107 VAL HG22 H 0.929 0.000 1
1298 107 VAL HG23 H 0.929 0.000 1
1299 107 VAL N N 121.750 0.028 1
1300 108 ALA C C 179.432 0.000 1
1301 108 ALA CA C 55.834 0.000 1
1302 108 ALA CB C 17.859 0.000 1
1303 108 ALA H H 8.371 0.002 1
1304 108 ALA HA H 4.052 0.000 1
1305 108 ALA HB1 H 1.643 0.000 1
1306 108 ALA HB2 H 1.643 0.000 1
1307 108 ALA HB3 H 1.643 0.000 1
1308 108 ALA N N 125.084 0.023 1
1309 109 ALA C C 180.432 0.000 1
1310 109 ALA CA C 55.067 0.000 1
1311 109 ALA CB C 17.956 0.000 1
1312 109 ALA H H 8.490 0.002 1
1313 109 ALA HA H 4.264 0.000 1
1314 109 ALA HB1 H 1.621 0.000 1
1315 109 ALA HB2 H 1.621 0.000 1
1316 109 ALA HB3 H 1.621 0.000 1
1317 109 ALA N N 122.365 0.022 1
1318 110 ALA C C 180.480 0.000 1
1319 110 ALA CA C 55.031 0.000 1
1320 110 ALA CB C 17.921 0.000 1
1321 110 ALA H H 8.709 0.001 1
1322 110 ALA HA H 4.271 0.000 1
1323 110 ALA HB1 H 1.597 0.000 1
1324 110 ALA HB2 H 1.597 0.000 1
1325 110 ALA HB3 H 1.597 0.000 1
1326 110 ALA N N 120.589 0.019 1
1327 111 THR C C 176.460 0.000 1
1328 111 THR CA C 67.840 0.000 1
1329 111 THR CB C 68.283 0.000 1
1330 111 THR CG2 C 21.780 0.000 1
1331 111 THR H H 8.483 0.001 1
1332 111 THR HA H 3.788 0.000 1
1333 111 THR HB H 4.411 0.000 1
1334 111 THR HG21 H 1.365 0.000 1
1335 111 THR HG22 H 1.365 0.000 1
1336 111 THR HG23 H 1.365 0.000 1
1337 111 THR N N 116.209 0.021 1
1338 112 ASN C C 177.343 0.000 1
1339 112 ASN CA C 58.033 0.000 1
1340 112 ASN CB C 38.878 0.004 1
1341 112 ASN H H 8.468 0.001 1
1342 112 ASN HA H 4.363 0.000 1
1343 112 ASN HB2 H 2.939 0.000 1
1344 112 ASN HB3 H 2.983 0.000 1
1345 112 ASN HD21 H 6.746 0.000 1
1346 112 ASN HD22 H 7.493 0.000 1
1347 112 ASN N N 122.711 0.023 1
1348 112 ASN ND2 N 111.743 0.001 1
1349 113 ASN C C 178.054 0.000 1
1350 113 ASN CA C 56.377 0.000 1
1351 113 ASN CB C 37.831 0.000 1
1352 113 ASN H H 8.311 0.001 1
1353 113 ASN HA H 4.530 0.000 1
1354 113 ASN HB2 H 3.062 0.000 1
1355 113 ASN HB3 H 2.965 0.000 1
1356 113 ASN HD21 H 6.920 0.000 1
1357 113 ASN HD22 H 7.882 0.000 1
1358 113 ASN N N 118.728 0.053 1
1359 113 ASN ND2 N 111.797 0.000 1
1360 114 LEU C C 178.566 0.000 1
1361 114 LEU CA C 58.122 0.000 1
1362 114 LEU CB C 41.601 0.000 1
1363 114 LEU CD1 C 25.853 0.000 1
1364 114 LEU CD2 C 25.168 0.000 1
1365 114 LEU CG C 27.639 0.000 1
1366 114 LEU H H 8.319 0.003 1
1367 114 LEU HA H 4.338 0.000 1
1368 114 LEU HB2 H 1.712 0.000 1
1369 114 LEU HB3 H 2.282 0.000 1
1370 114 LEU HD11 H 1.082 0.000 1
1371 114 LEU HD12 H 1.082 0.000 1
1372 114 LEU HD13 H 1.082 0.000 1
1373 114 LEU HD21 H 1.048 0.000 1
1374 114 LEU HD22 H 1.048 0.000 1
1375 114 LEU HD23 H 1.048 0.000 1
1376 114 LEU HG H 1.797 0.000 1
1377 114 LEU N N 122.641 0.045 1
1378 115 CYS C C 176.983 0.000 1
1379 115 CYS CA C 64.890 0.000 1
1380 115 CYS CB C 26.729 0.004 1
1381 115 CYS H H 8.570 0.003 1
1382 115 CYS HA H 4.060 0.000 1
1383 115 CYS HB2 H 2.997 0.000 1
1384 115 CYS HB3 H 3.202 0.000 1
1385 115 CYS N N 118.691 0.027 1
1386 116 GLU C C 179.522 0.000 1
1387 116 GLU CA C 59.597 0.000 1
1388 116 GLU CB C 29.349 0.000 1
1389 116 GLU CG C 36.240 0.000 1
1390 116 GLU H H 8.329 0.001 1
1391 116 GLU HA H 4.209 0.000 1
1392 116 GLU HB2 H 2.212 0.000 1
1393 116 GLU HB3 H 2.212 0.000 1
1394 116 GLU HG2 H 2.378 0.000 1
1395 116 GLU HG3 H 2.513 0.000 1
1396 116 GLU N N 119.737 0.003 1
1397 117 ALA C C 180.184 0.000 1
1398 117 ALA CA C 54.989 0.000 1
1399 117 ALA CB C 17.630 0.000 1
1400 117 ALA H H 8.269 0.000 1
1401 117 ALA HA H 4.307 0.000 1
1402 117 ALA HB1 H 1.560 0.000 1
1403 117 ALA HB2 H 1.560 0.000 1
1404 117 ALA HB3 H 1.560 0.000 1
1405 117 ALA N N 123.404 0.005 1
1406 118 ALA C C 178.226 0.000 1
1407 118 ALA CA C 55.265 0.000 1
1408 118 ALA CB C 17.852 0.000 1
1409 118 ALA H H 8.892 0.002 1
1410 118 ALA HA H 3.999 0.000 1
1411 118 ALA HB1 H 1.372 0.000 1
1412 118 ALA HB2 H 1.372 0.000 1
1413 118 ALA HB3 H 1.372 0.000 1
1414 118 ALA N N 122.023 0.041 1
1415 119 ASN C C 177.096 0.000 1
1416 119 ASN CA C 56.608 0.000 1
1417 119 ASN CB C 39.295 0.001 1
1418 119 ASN H H 8.199 0.002 1
1419 119 ASN HA H 4.305 0.000 1
1420 119 ASN HB2 H 3.017 0.000 1
1421 119 ASN HB3 H 2.827 0.000 1
1422 119 ASN HD21 H 6.720 0.000 1
1423 119 ASN HD22 H 7.642 0.000 1
1424 119 ASN N N 116.627 0.023 1
1425 119 ASN ND2 N 111.650 0.001 1
1426 120 ALA C C 179.999 0.000 1
1427 120 ALA CA C 55.095 0.000 1
1428 120 ALA CB C 18.024 0.000 1
1429 120 ALA H H 7.921 0.002 1
1430 120 ALA HA H 4.151 0.000 1
1431 120 ALA HB1 H 1.593 0.000 1
1432 120 ALA HB2 H 1.593 0.000 1
1433 120 ALA HB3 H 1.593 0.000 1
1434 120 ALA N N 119.994 0.019 1
1435 121 ALA C C 180.602 0.000 1
1436 121 ALA CA C 55.090 0.000 1
1437 121 ALA CB C 18.161 0.000 1
1438 121 ALA H H 8.103 0.000 1
1439 121 ALA HA H 4.169 0.000 1
1440 121 ALA HB1 H 1.650 0.000 1
1441 121 ALA HB2 H 1.650 0.000 1
1442 121 ALA HB3 H 1.650 0.000 1
1443 121 ALA N N 119.748 0.023 1
1444 122 VAL C C 176.770 0.000 1
1445 122 VAL CA C 65.180 0.000 1
1446 122 VAL CB C 31.523 0.000 1
1447 122 VAL CG1 C 22.031 0.000 1
1448 122 VAL CG2 C 22.745 0.000 1
1449 122 VAL H H 8.169 0.001 1
1450 122 VAL HA H 3.951 0.000 1
1451 122 VAL HB H 2.415 0.000 1
1452 122 VAL HG11 H 1.071 0.000 1
1453 122 VAL HG12 H 1.071 0.000 1
1454 122 VAL HG13 H 1.071 0.000 1
1455 122 VAL HG21 H 1.183 0.000 1
1456 122 VAL HG22 H 1.183 0.000 1
1457 122 VAL HG23 H 1.183 0.000 1
1458 122 VAL N N 116.594 0.028 1
1459 123 GLN C C 176.107 0.000 1
1460 123 GLN CA C 55.965 0.000 1
1461 123 GLN CB C 29.340 0.006 1
1462 123 GLN CG C 34.280 0.011 1
1463 123 GLN H H 7.692 0.000 1
1464 123 GLN HA H 4.440 0.000 1
1465 123 GLN HB2 H 2.423 0.000 1
1466 123 GLN HB3 H 2.060 0.000 1
1467 123 GLN HE21 H 6.786 0.000 1
1468 123 GLN HE22 H 7.332 0.000 1
1469 123 GLN HG2 H 2.632 0.000 1
1470 123 GLN HG3 H 2.443 0.000 1
1471 123 GLN N N 116.643 0.020 1
1472 123 GLN NE2 N 111.066 0.001 1
1473 124 GLY C C 174.357 0.000 1
1474 124 GLY CA C 45.744 0.000 1
1475 124 GLY H H 7.757 0.001 1
1476 124 GLY HA2 H 4.191 0.000 1
1477 124 GLY HA3 H 3.989 0.000 1
1478 124 GLY N N 106.132 0.020 1
1479 125 HIS C C 174.117 0.000 1
1480 125 HIS CA C 53.932 0.000 1
1481 125 HIS CB C 29.346 0.004 1
1482 125 HIS CD2 C 120.064 0.000 1
1483 125 HIS CE1 C 136.933 0.000 1
1484 125 HIS H H 8.351 0.002 1
1485 125 HIS HA H 5.043 0.000 1
1486 125 HIS HB2 H 3.346 0.000 1
1487 125 HIS HB3 H 3.049 0.000 1
1488 125 HIS HD2 H 7.194 0.000 1
1489 125 HIS HE1 H 8.513 0.000 1
1490 125 HIS N N 119.223 0.023 1
1491 126 ALA C C 177.070 0.000 1
1492 126 ALA CA C 52.567 0.000 1
1493 126 ALA CB C 19.981 0.000 1
1494 126 ALA H H 8.486 0.007 1
1495 126 ALA HA H 4.379 0.000 1
1496 126 ALA HB1 H 1.505 0.000 1
1497 126 ALA HB2 H 1.505 0.000 1
1498 126 ALA HB3 H 1.505 0.000 1
1499 126 ALA N N 123.462 0.023 1
1500 127 SER C C 175.354 0.000 1
1501 127 SER CA C 56.509 0.000 1
1502 127 SER CB C 63.972 0.005 1
1503 127 SER H H 8.369 0.004 1
1504 127 SER HA H 4.865 0.000 1
1505 127 SER HB2 H 3.950 0.000 2
1506 127 SER HB3 H 4.098 0.000 2
1507 127 SER N N 115.831 0.020 1
1508 128 GLN C C 177.486 0.000 1
1509 128 GLN CA C 60.381 0.000 1
1510 128 GLN CB C 28.734 0.000 1
1511 128 GLN CG C 34.282 0.000 1
1512 128 GLN H H 9.145 0.002 1
1513 128 GLN HA H 3.977 0.000 1
1514 128 GLN HB2 H 2.110 0.000 1
1515 128 GLN HB3 H 2.164 0.000 1
1516 128 GLN HE21 H 6.946 0.000 1
1517 128 GLN HE22 H 7.269 0.000 1
1518 128 GLN HG2 H 2.431 0.000 1
1519 128 GLN HG3 H 2.431 0.000 1
1520 128 GLN N N 126.959 0.038 1
1521 128 GLN NE2 N 111.620 0.002 1
1522 129 GLU C C 179.312 0.000 1
1523 129 GLU CA C 59.924 0.000 1
1524 129 GLU CB C 29.284 0.006 1
1525 129 GLU CG C 36.235 0.000 1
1526 129 GLU H H 8.778 0.002 1
1527 129 GLU HA H 4.096 0.000 1
1528 129 GLU HB2 H 2.046 0.000 1
1529 129 GLU HB3 H 2.148 0.000 1
1530 129 GLU HG2 H 2.387 0.000 1
1531 129 GLU HG3 H 2.387 0.000 1
1532 129 GLU N N 117.915 0.019 1
1533 130 LYS C C 180.104 0.000 1
1534 130 LYS CA C 58.820 0.000 1
1535 130 LYS CB C 32.562 0.000 1
1536 130 LYS CD C 29.028 0.000 1
1537 130 LYS CE C 42.298 0.000 1
1538 130 LYS CG C 25.652 0.004 1
1539 130 LYS H H 7.949 0.002 1
1540 130 LYS HA H 4.224 0.000 1
1541 130 LYS HB2 H 2.028 0.000 1
1542 130 LYS HB3 H 2.028 0.000 1
1543 130 LYS HD2 H 1.796 0.000 1
1544 130 LYS HD3 H 1.796 0.000 1
1545 130 LYS HE2 H 3.071 0.000 1
1546 130 LYS HE3 H 3.071 0.000 1
1547 130 LYS HG2 H 1.677 0.000 1
1548 130 LYS HG3 H 1.566 0.000 1
1549 130 LYS N N 119.761 0.021 1
1550 131 LEU C C 177.724 0.000 1
1551 131 LEU CA C 58.619 0.000 1
1552 131 LEU CB C 42.532 0.000 1
1553 131 LEU CD1 C 23.817 0.000 1
1554 131 LEU CD2 C 25.659 0.000 1
1555 131 LEU CG C 26.978 0.000 1
1556 131 LEU H H 8.209 0.004 1
1557 131 LEU HA H 3.966 0.000 1
1558 131 LEU HB2 H 1.501 0.000 1
1559 131 LEU HB3 H 2.054 0.000 1
1560 131 LEU HD11 H 0.887 0.000 1
1561 131 LEU HD12 H 0.887 0.000 1
1562 131 LEU HD13 H 0.887 0.000 1
1563 131 LEU HD21 H 1.013 0.000 1
1564 131 LEU HD22 H 1.013 0.000 1
1565 131 LEU HD23 H 1.013 0.000 1
1566 131 LEU HG H 1.894 0.000 1
1567 131 LEU N N 121.600 0.003 1
1568 132 ILE C C 178.170 0.000 1
1569 132 ILE CA C 66.267 0.000 1
1570 132 ILE CB C 38.022 0.000 1
1571 132 ILE CD1 C 13.677 0.000 1
1572 132 ILE CG1 C 30.438 0.000 1
1573 132 ILE CG2 C 17.274 0.000 1
1574 132 ILE H H 8.358 0.005 1
1575 132 ILE HA H 3.627 0.000 1
1576 132 ILE HB H 2.006 0.000 1
1577 132 ILE HD11 H 0.951 0.000 1
1578 132 ILE HD12 H 0.951 0.000 1
1579 132 ILE HD13 H 0.951 0.000 1
1580 132 ILE HG12 H 1.125 0.000 1
1581 132 ILE HG13 H 1.125 0.000 1
1582 132 ILE HG21 H 1.036 0.000 1
1583 132 ILE HG22 H 1.036 0.000 1
1584 132 ILE HG23 H 1.036 0.000 1
1585 132 ILE N N 118.339 0.021 1
1586 133 SER C C 178.178 0.000 1
1587 133 SER CA C 62.062 0.000 1
1588 133 SER CB C 62.785 0.000 1
1589 133 SER H H 8.584 0.003 1
1590 133 SER HA H 4.229 0.000 1
1591 133 SER HB2 H 4.097 0.000 1
1592 133 SER HB3 H 4.097 0.000 1
1593 133 SER N N 114.313 0.029 1
1594 134 SER C C 176.659 0.000 1
1595 134 SER H H 8.167 0.001 1
1596 134 SER N N 117.640 0.053 1
1597 135 ALA C C 180.349 0.000 1
1598 135 ALA CA C 55.860 0.000 1
1599 135 ALA CB C 18.448 0.000 1
1600 135 ALA H H 8.246 0.001 1
1601 135 ALA HA H 4.044 0.000 1
1602 135 ALA HB1 H 1.666 0.000 1
1603 135 ALA HB2 H 1.666 0.000 1
1604 135 ALA HB3 H 1.666 0.000 1
1605 135 ALA N N 126.668 0.030 1
1606 136 LYS C C 179.949 0.000 1
1607 136 LYS CA C 60.028 0.000 1
1608 136 LYS CB C 32.211 0.000 1
1609 136 LYS CD C 29.560 0.000 1
1610 136 LYS CE C 42.180 0.000 1
1611 136 LYS CG C 26.070 0.005 1
1612 136 LYS H H 8.486 0.001 1
1613 136 LYS HA H 4.100 0.000 1
1614 136 LYS HB2 H 1.999 0.000 1
1615 136 LYS HB3 H 2.099 0.000 1
1616 136 LYS HD2 H 1.745 0.000 1
1617 136 LYS HD3 H 1.745 0.000 1
1618 136 LYS HE2 H 2.970 0.000 1
1619 136 LYS HE3 H 2.970 0.000 1
1620 136 LYS HG2 H 1.528 0.000 1
1621 136 LYS HG3 H 1.805 0.000 1
1622 136 LYS N N 118.431 0.029 1
1623 137 GLN C C 180.289 0.000 1
1624 137 GLN CA C 58.776 0.000 1
1625 137 GLN CB C 28.468 0.000 1
1626 137 GLN CG C 34.031 0.000 1
1627 137 GLN H H 8.371 0.000 1
1628 137 GLN HA H 4.358 0.000 1
1629 137 GLN HB2 H 2.441 0.000 1
1630 137 GLN HB3 H 2.324 0.000 1
1631 137 GLN HE21 H 6.816 0.000 1
1632 137 GLN HE22 H 7.423 0.000 1
1633 137 GLN HG2 H 2.629 0.000 1
1634 137 GLN HG3 H 2.533 0.000 1
1635 137 GLN N N 120.731 0.025 1
1636 137 GLN NE2 N 110.920 0.003 1
1637 138 VAL C C 178.686 0.000 1
1638 138 VAL CA C 67.317 0.000 1
1639 138 VAL CB C 31.465 0.000 1
1640 138 VAL CG1 C 22.431 0.000 1
1641 138 VAL CG2 C 23.863 0.000 1
1642 138 VAL H H 8.511 0.002 1
1643 138 VAL HA H 3.594 0.000 1
1644 138 VAL HB H 2.392 0.000 1
1645 138 VAL HG11 H 0.906 0.000 1
1646 138 VAL HG12 H 0.906 0.000 1
1647 138 VAL HG13 H 0.906 0.000 1
1648 138 VAL HG21 H 1.112 0.000 1
1649 138 VAL HG22 H 1.112 0.000 1
1650 138 VAL HG23 H 1.112 0.000 1
1651 138 VAL N N 122.611 0.025 1
1652 139 ALA C C 179.824 0.000 1
1653 139 ALA CA C 56.122 0.000 1
1654 139 ALA CB C 17.732 0.000 1
1655 139 ALA H H 8.030 0.001 1
1656 139 ALA HA H 4.026 0.000 1
1657 139 ALA HB1 H 1.649 0.000 1
1658 139 ALA HB2 H 1.649 0.000 1
1659 139 ALA HB3 H 1.649 0.000 1
1660 139 ALA N N 124.711 0.020 1
1661 140 ALA C C 181.062 0.000 1
1662 140 ALA CA C 54.992 0.000 1
1663 140 ALA CB C 18.387 0.000 1
1664 140 ALA H H 8.638 0.001 1
1665 140 ALA HA H 4.332 0.000 1
1666 140 ALA HB1 H 1.608 0.000 1
1667 140 ALA HB2 H 1.608 0.000 1
1668 140 ALA HB3 H 1.608 0.000 1
1669 140 ALA N N 121.886 0.023 1
1670 141 SER C C 176.862 0.000 1
1671 141 SER CA C 62.366 0.000 1
1672 141 SER CB C 62.534 0.007 1
1673 141 SER H H 8.535 0.002 1
1674 141 SER HA H 4.322 0.000 1
1675 141 SER HB2 H 3.894 0.000 1
1676 141 SER HB3 H 4.010 0.000 1
1677 141 SER N N 115.443 0.030 1
1678 142 THR C C 175.830 0.000 1
1679 142 THR CA C 68.127 0.000 1
1680 142 THR CB C 67.958 0.000 1
1681 142 THR CG2 C 21.767 0.000 1
1682 142 THR H H 8.153 0.000 1
1683 142 THR HA H 3.801 0.000 1
1684 142 THR HB H 4.394 0.000 1
1685 142 THR HG21 H 1.303 0.000 1
1686 142 THR HG22 H 1.303 0.000 1
1687 142 THR HG23 H 1.303 0.000 1
1688 142 THR N N 120.756 0.000 1
1689 143 ALA C C 180.203 0.000 1
1690 143 ALA CA C 55.273 0.000 1
1691 143 ALA CB C 17.780 0.000 1
1692 143 ALA H H 7.836 0.001 1
1693 143 ALA HA H 4.164 0.000 1
1694 143 ALA HB1 H 1.648 0.000 1
1695 143 ALA HB2 H 1.648 0.000 1
1696 143 ALA HB3 H 1.648 0.000 1
1697 143 ALA N N 123.503 0.013 1
1698 144 GLN C C 178.519 0.000 1
1699 144 GLN CA C 58.687 0.000 1
1700 144 GLN CB C 28.228 0.000 1
1701 144 GLN CG C 34.022 0.000 1
1702 144 GLN H H 7.742 0.002 1
1703 144 GLN HA H 4.146 0.000 1
1704 144 GLN HB2 H 2.322 0.000 1
1705 144 GLN HB3 H 2.223 0.000 1
1706 144 GLN HE21 H 6.777 0.000 1
1707 144 GLN HE22 H 7.435 0.000 1
1708 144 GLN HG2 H 2.508 0.000 1
1709 144 GLN HG3 H 2.508 0.000 1
1710 144 GLN N N 116.653 0.030 1
1711 144 GLN NE2 N 110.693 0.001 1
1712 145 LEU C C 177.962 0.000 1
1713 145 LEU CA C 58.559 0.000 1
1714 145 LEU CB C 41.438 0.000 1
1715 145 LEU CD1 C 24.976 0.000 1
1716 145 LEU CD2 C 26.585 0.000 1
1717 145 LEU CG C 27.643 0.000 1
1718 145 LEU H H 8.018 0.000 1
1719 145 LEU HA H 4.055 0.000 1
1720 145 LEU HB2 H 2.133 0.000 1
1721 145 LEU HB3 H 1.517 0.000 1
1722 145 LEU HD11 H 0.939 0.000 1
1723 145 LEU HD12 H 0.939 0.000 1
1724 145 LEU HD13 H 0.939 0.000 1
1725 145 LEU HD21 H 0.897 0.000 1
1726 145 LEU HD22 H 0.897 0.000 1
1727 145 LEU HD23 H 0.897 0.000 1
1728 145 LEU HG H 1.667 0.000 1
1729 145 LEU N N 121.961 0.018 1
1730 146 LEU C C 179.558 0.000 1
1731 146 LEU CA C 59.400 0.000 1
1732 146 LEU CB C 41.754 0.000 1
1733 146 LEU CD1 C 25.803 0.000 1
1734 146 LEU CD2 C 24.444 0.000 1
1735 146 LEU CG C 28.163 0.000 1
1736 146 LEU H H 8.219 0.000 1
1737 146 LEU HA H 3.960 0.000 1
1738 146 LEU HB2 H 2.036 0.000 1
1739 146 LEU HB3 H 1.671 0.000 1
1740 146 LEU HD11 H 0.976 0.000 1
1741 146 LEU HD12 H 0.976 0.000 1
1742 146 LEU HD13 H 0.976 0.000 1
1743 146 LEU HD21 H 0.913 0.000 1
1744 146 LEU HD22 H 0.913 0.000 1
1745 146 LEU HD23 H 0.913 0.000 1
1746 146 LEU HG H 1.842 0.000 1
1747 146 LEU N N 119.884 0.025 1
1748 147 VAL C C 178.234 0.000 1
1749 147 VAL CA C 66.797 0.000 1
1750 147 VAL CB C 31.774 0.000 1
1751 147 VAL CG1 C 23.030 0.000 1
1752 147 VAL CG2 C 21.287 0.000 1
1753 147 VAL H H 7.993 0.001 1
1754 147 VAL HA H 3.684 0.000 1
1755 147 VAL HB H 2.233 0.000 1
1756 147 VAL HG11 H 1.173 0.000 1
1757 147 VAL HG12 H 1.173 0.000 1
1758 147 VAL HG13 H 1.173 0.000 1
1759 147 VAL HG21 H 1.065 0.000 1
1760 147 VAL HG22 H 1.065 0.000 1
1761 147 VAL HG23 H 1.065 0.000 1
1762 147 VAL N N 118.476 0.024 1
1763 148 ALA C C 180.554 0.000 1
1764 148 ALA CA C 54.983 0.000 1
1765 148 ALA CB C 17.749 0.000 1
1766 148 ALA H H 8.000 0.003 1
1767 148 ALA HA H 4.339 0.000 1
1768 148 ALA HB1 H 1.514 0.000 1
1769 148 ALA HB2 H 1.514 0.000 1
1770 148 ALA HB3 H 1.514 0.000 1
1771 148 ALA N N 121.242 0.016 1
1772 149 CYS C C 175.804 0.000 1
1773 149 CYS CA C 63.577 0.000 1
1774 149 CYS CB C 28.138 0.005 1
1775 149 CYS H H 7.996 0.001 1
1776 149 CYS HA H 4.511 0.000 1
1777 149 CYS HB2 H 2.838 0.000 1
1778 149 CYS HB3 H 3.054 0.000 1
1779 149 CYS N N 114.284 0.031 1
1780 150 LYS C C 177.101 0.000 1
1781 150 LYS CA C 58.571 0.000 1
1782 150 LYS CB C 32.538 0.000 1
1783 150 LYS CD C 29.028 0.000 1
1784 150 LYS CE C 42.266 0.000 1
1785 150 LYS CG C 25.540 0.002 1
1786 150 LYS H H 8.160 0.003 1
1787 150 LYS HA H 4.240 0.000 1
1788 150 LYS HB2 H 2.021 0.000 1
1789 150 LYS HB3 H 2.021 0.000 1
1790 150 LYS HD2 H 1.796 0.000 1
1791 150 LYS HD3 H 1.796 0.000 1
1792 150 LYS HE2 H 3.040 0.000 1
1793 150 LYS HE3 H 3.040 0.000 1
1794 150 LYS HG2 H 1.552 0.000 1
1795 150 LYS HG3 H 1.647 0.000 1
1796 150 LYS N N 118.637 0.019 1
1797 151 VAL C C 176.523 0.000 1
1798 151 VAL CA C 64.858 0.000 1
1799 151 VAL CB C 32.507 0.000 1
1800 151 VAL CG1 C 21.362 0.000 1
1801 151 VAL CG2 C 21.774 0.000 1
1802 151 VAL H H 7.624 0.001 1
1803 151 VAL HA H 4.007 0.000 1
1804 151 VAL HB H 2.286 0.000 1
1805 151 VAL HG11 H 1.090 0.000 1
1806 151 VAL HG12 H 1.090 0.000 1
1807 151 VAL HG13 H 1.090 0.000 1
1808 151 VAL HG21 H 1.263 0.000 1
1809 151 VAL HG22 H 1.263 0.000 1
1810 151 VAL HG23 H 1.263 0.000 1
1811 151 VAL N N 116.458 0.020 1
1812 152 LYS C C 175.496 0.000 1
1813 152 LYS CA C 55.389 0.000 1
1814 152 LYS CB C 34.926 0.008 1
1815 152 LYS CD C 28.572 0.015 1
1816 152 LYS CE C 41.976 0.000 1
1817 152 LYS CG C 24.448 0.008 1
1818 152 LYS H H 7.134 0.001 1
1819 152 LYS HA H 4.435 0.000 1
1820 152 LYS HB2 H 1.486 0.000 1
1821 152 LYS HB3 H 1.136 0.000 1
1822 152 LYS HD2 H 0.988 0.000 1
1823 152 LYS HD3 H 1.273 0.000 1
1824 152 LYS HE2 H 2.568 0.000 1
1825 152 LYS HE3 H 2.568 0.000 1
1826 152 LYS HG2 H 0.535 0.000 1
1827 152 LYS HG3 H 0.779 0.000 1
1828 152 LYS N N 116.091 0.059 1
1829 153 ALA C C 176.692 0.000 1
1830 153 ALA CA C 52.315 0.000 1
1831 153 ALA CB C 20.283 0.000 1
1832 153 ALA H H 7.829 0.002 1
1833 153 ALA HA H 4.422 0.000 1
1834 153 ALA HB1 H 1.472 0.000 1
1835 153 ALA HB2 H 1.472 0.000 1
1836 153 ALA HB3 H 1.472 0.000 1
1837 153 ALA N N 121.543 0.004 1
1838 154 ASP C C 177.375 0.000 1
1839 154 ASP CA C 54.215 0.000 1
1840 154 ASP CB C 41.397 0.000 1
1841 154 ASP H H 8.508 0.005 1
1842 154 ASP HA H 4.662 0.000 1
1843 154 ASP HB2 H 2.762 0.000 1
1844 154 ASP HB3 H 2.762 0.000 1
1845 154 ASP N N 120.280 0.039 1
1846 155 GLN C C 175.615 0.000 1
1847 155 GLN CA C 57.431 0.000 1
1848 155 GLN CB C 29.214 0.000 1
1849 155 GLN CG C 33.827 0.000 1
1850 155 GLN H H 8.589 0.002 1
1851 155 GLN HA H 4.180 0.000 1
1852 155 GLN HB2 H 2.164 0.000 1
1853 155 GLN HB3 H 2.164 0.000 1
1854 155 GLN HE21 H 6.841 0.000 1
1855 155 GLN HE22 H 7.652 0.000 1
1856 155 GLN HG2 H 2.458 0.000 1
1857 155 GLN HG3 H 2.458 0.000 1
1858 155 GLN N N 121.666 0.051 1
1859 155 GLN NE2 N 112.163 0.000 1
1860 156 ASP C C 175.880 0.000 1
1861 156 ASP CA C 54.099 0.000 1
1862 156 ASP CB C 41.097 0.000 1
1863 156 ASP H H 8.502 0.003 1
1864 156 ASP HA H 4.799 0.000 1
1865 156 ASP HB2 H 2.663 0.000 1
1866 156 ASP HB3 H 2.835 0.000 1
1867 156 ASP N N 118.985 0.020 1
1868 157 SER C C 175.630 0.000 1
1869 157 SER CA C 57.979 0.000 1
1870 157 SER CB C 64.871 0.002 1
1871 157 SER H H 7.672 0.004 1
1872 157 SER HA H 4.556 0.000 1
1873 157 SER HB2 H 4.021 0.000 1
1874 157 SER HB3 H 4.402 0.000 1
1875 157 SER N N 115.820 0.026 1
1876 158 GLU C C 179.284 0.000 1
1877 158 GLU CA C 59.767 0.000 1
1878 158 GLU CB C 29.303 0.000 1
1879 158 GLU CG C 36.313 0.000 1
1880 158 GLU H H 9.064 0.004 1
1881 158 GLU HA H 4.091 0.000 1
1882 158 GLU HB2 H 2.160 0.000 1
1883 158 GLU HB3 H 2.160 0.000 1
1884 158 GLU HG2 H 2.367 0.000 1
1885 158 GLU HG3 H 2.367 0.000 1
1886 158 GLU N N 125.504 0.003 1
1887 159 ALA C C 180.934 0.000 1
1888 159 ALA CA C 55.240 0.000 1
1889 159 ALA CB C 17.894 0.000 1
1890 159 ALA H H 8.934 0.006 1
1891 159 ALA HA H 4.138 0.000 1
1892 159 ALA HB1 H 1.460 0.000 1
1893 159 ALA HB2 H 1.460 0.000 1
1894 159 ALA HB3 H 1.460 0.000 1
1895 159 ALA N N 121.172 0.020 1
1896 160 MET C C 179.312 0.000 1
1897 160 MET CA C 56.327 0.000 1
1898 160 MET CB C 31.337 0.000 1
1899 160 MET CE C 17.485 0.000 1
1900 160 MET CG C 33.025 0.002 1
1901 160 MET H H 7.898 0.002 1
1902 160 MET HA H 4.638 0.000 1
1903 160 MET HB2 H 2.191 0.000 1
1904 160 MET HB3 H 2.191 0.000 1
1905 160 MET HE1 H 2.082 0.000 1
1906 160 MET HE2 H 2.082 0.000 1
1907 160 MET HE3 H 2.082 0.000 1
1908 160 MET HG2 H 2.748 0.000 1
1909 160 MET HG3 H 2.700 0.000 1
1910 160 MET N N 117.141 0.032 1
1911 161 LYS C C 180.555 0.000 1
1912 161 LYS CA C 60.281 0.000 1
1913 161 LYS CB C 32.236 0.000 1
1914 161 LYS CD C 29.207 0.000 1
1915 161 LYS CE C 42.266 0.000 1
1916 161 LYS CG C 25.535 0.000 1
1917 161 LYS H H 8.338 0.005 1
1918 161 LYS HA H 4.165 0.000 1
1919 161 LYS HB2 H 1.978 0.000 1
1920 161 LYS HB3 H 2.056 0.000 1
1921 161 LYS HD2 H 1.753 0.000 1
1922 161 LYS HD3 H 1.753 0.000 1
1923 161 LYS HE2 H 3.028 0.000 1
1924 161 LYS HE3 H 3.028 0.000 1
1925 161 LYS HG2 H 1.534 0.000 1
1926 161 LYS HG3 H 1.534 0.000 1
1927 161 LYS N N 122.252 0.043 1
1928 162 ARG C C 179.614 0.000 1
1929 162 ARG CA C 59.423 0.000 1
1930 162 ARG CB C 30.195 0.000 1
1931 162 ARG CD C 43.590 0.000 1
1932 162 ARG CG C 27.592 0.002 1
1933 162 ARG H H 8.194 0.000 1
1934 162 ARG HA H 4.199 0.000 1
1935 162 ARG HB2 H 1.976 0.000 1
1936 162 ARG HB3 H 2.100 0.000 1
1937 162 ARG HD2 H 3.321 0.000 1
1938 162 ARG HD3 H 3.321 0.000 1
1939 162 ARG HG2 H 1.965 0.000 1
1940 162 ARG HG3 H 1.797 0.000 1
1941 162 ARG N N 120.128 0.029 1
1942 163 LEU C C 178.272 0.000 1
1943 163 LEU CA C 58.560 0.000 1
1944 163 LEU CB C 42.317 0.004 1
1945 163 LEU CD1 C 26.924 0.000 1
1946 163 LEU CD2 C 25.990 0.000 1
1947 163 LEU CG C 27.023 0.000 1
1948 163 LEU H H 8.216 0.001 1
1949 163 LEU HA H 4.024 0.000 1
1950 163 LEU HB2 H 1.803 0.000 1
1951 163 LEU HB3 H 2.049 0.000 1
1952 163 LEU HD11 H 1.054 0.000 1
1953 163 LEU HD12 H 1.054 0.000 1
1954 163 LEU HD13 H 1.054 0.000 1
1955 163 LEU HD21 H 1.010 0.000 1
1956 163 LEU HD22 H 1.010 0.000 1
1957 163 LEU HD23 H 1.010 0.000 1
1958 163 LEU HG H 1.694 0.000 1
1959 163 LEU N N 122.371 0.032 1
1960 164 GLN C C 178.718 0.000 1
1961 164 GLN CA C 58.897 0.000 1
1962 164 GLN CB C 28.526 0.000 1
1963 164 GLN CG C 34.022 0.000 1
1964 164 GLN H H 8.587 0.003 1
1965 164 GLN HA H 4.020 0.000 1
1966 164 GLN HB2 H 2.237 0.000 1
1967 164 GLN HB3 H 2.237 0.000 1
1968 164 GLN HE21 H 6.801 0.000 1
1969 164 GLN HE22 H 7.396 0.000 1
1970 164 GLN HG2 H 2.508 0.000 1
1971 164 GLN HG3 H 2.508 0.000 1
1972 164 GLN N N 118.422 0.022 1
1973 164 GLN NE2 N 111.400 0.000 1
1974 165 ALA C C 181.152 0.000 1
1975 165 ALA CA C 55.093 0.000 1
1976 165 ALA CB C 17.875 0.000 1
1977 165 ALA H H 8.089 0.000 1
1978 165 ALA HA H 4.303 0.000 1
1979 165 ALA HB1 H 1.626 0.000 1
1980 165 ALA HB2 H 1.626 0.000 1
1981 165 ALA HB3 H 1.626 0.000 1
1982 165 ALA N N 121.930 0.019 1
1983 166 ALA C C 180.635 0.000 1
1984 166 ALA CA C 54.938 0.000 1
1985 166 ALA CB C 17.306 0.000 1
1986 166 ALA H H 8.201 0.002 1
1987 166 ALA HA H 4.400 0.000 1
1988 166 ALA HB1 H 1.611 0.000 1
1989 166 ALA HB2 H 1.611 0.000 1
1990 166 ALA HB3 H 1.611 0.000 1
1991 166 ALA N N 122.445 0.026 1
1992 167 GLY C C 176.266 0.000 1
1993 167 GLY CA C 47.639 0.000 1
1994 167 GLY H H 8.973 0.003 1
1995 167 GLY HA2 H 3.698 0.000 1
1996 167 GLY HA3 H 3.824 0.000 1
1997 167 GLY N N 107.407 0.029 1
1998 168 ASN C C 177.679 0.000 1
1999 168 ASN CA C 55.992 0.000 1
2000 168 ASN CB C 37.845 0.006 1
2001 168 ASN H H 8.520 0.003 1
2002 168 ASN HA H 4.596 0.000 1
2003 168 ASN HB2 H 2.942 0.000 1
2004 168 ASN HB3 H 3.075 0.000 1
2005 168 ASN HD21 H 7.683 0.000 1
2006 168 ASN HD22 H 7.070 0.000 1
2007 168 ASN N N 122.153 0.024 1
2008 168 ASN ND2 N 111.746 0.008 1
2009 169 ALA C C 181.136 0.000 1
2010 169 ALA CA C 55.307 0.000 1
2011 169 ALA CB C 17.914 0.000 1
2012 169 ALA H H 7.994 0.001 1
2013 169 ALA HA H 4.273 0.000 1
2014 169 ALA HB1 H 1.706 0.000 1
2015 169 ALA HB2 H 1.706 0.000 1
2016 169 ALA HB3 H 1.706 0.000 1
2017 169 ALA N N 123.585 0.031 1
2018 170 VAL C C 178.082 0.000 1
2019 170 VAL CA C 67.269 0.000 1
2020 170 VAL CB C 31.850 0.000 1
2021 170 VAL CG1 C 21.931 0.000 1
2022 170 VAL CG2 C 23.819 0.000 1
2023 170 VAL H H 8.260 0.002 1
2024 170 VAL HA H 3.509 0.000 1
2025 170 VAL HB H 2.414 0.000 1
2026 170 VAL HG11 H 0.987 0.000 1
2027 170 VAL HG12 H 0.987 0.000 1
2028 170 VAL HG13 H 0.987 0.000 1
2029 170 VAL HG21 H 1.166 0.000 1
2030 170 VAL HG22 H 1.166 0.000 1
2031 170 VAL HG23 H 1.166 0.000 1
2032 170 VAL N N 119.294 0.030 1
2033 171 LYS C C 178.252 0.000 1
2034 171 LYS CA C 60.258 0.000 1
2035 171 LYS CB C 32.193 0.000 1
2036 171 LYS CD C 28.883 0.007 1
2037 171 LYS CE C 42.298 0.000 1
2038 171 LYS CG C 25.178 0.000 1
2039 171 LYS H H 8.010 0.000 1
2040 171 LYS HA H 3.927 0.000 1
2041 171 LYS HB2 H 2.070 0.000 1
2042 171 LYS HB3 H 2.135 0.000 1
2043 171 LYS HD2 H 1.735 0.000 1
2044 171 LYS HD3 H 1.831 0.000 1
2045 171 LYS HE2 H 3.071 0.000 1
2046 171 LYS HE3 H 3.071 0.000 1
2047 171 LYS HG2 H 1.522 0.000 1
2048 171 LYS HG3 H 1.609 0.000 1
2049 171 LYS N N 121.722 0.022 1
2050 172 ARG C C 178.603 0.000 1
2051 172 ARG CA C 59.346 0.000 1
2052 172 ARG CB C 30.439 0.000 1
2053 172 ARG CD C 43.580 0.000 1
2054 172 ARG CG C 27.436 0.031 1
2055 172 ARG H H 8.135 0.001 1
2056 172 ARG HA H 4.207 0.000 1
2057 172 ARG HB2 H 1.968 0.000 1
2058 172 ARG HB3 H 1.968 0.000 1
2059 172 ARG HD2 H 3.339 0.000 1
2060 172 ARG HD3 H 3.339 0.000 1
2061 172 ARG HG2 H 1.872 0.000 1
2062 172 ARG HG3 H 1.725 0.000 1
2063 172 ARG N N 117.901 0.003 1
2064 173 ALA C C 180.505 0.000 1
2065 173 ALA CA C 55.116 0.000 1
2066 173 ALA CB C 18.575 0.000 1
2067 173 ALA H H 7.988 0.001 1
2068 173 ALA HA H 4.362 0.000 1
2069 173 ALA HB1 H 1.559 0.000 1
2070 173 ALA HB2 H 1.559 0.000 1
2071 173 ALA HB3 H 1.559 0.000 1
2072 173 ALA N N 120.678 0.011 1
2073 174 SER C C 176.020 0.000 1
2074 174 SER CA C 62.575 0.000 1
2075 174 SER CB C 62.248 0.000 1
2076 174 SER H H 8.917 0.000 1
2077 174 SER HA H 4.027 0.000 1
2078 174 SER HB2 H 4.024 0.000 1
2079 174 SER HB3 H 4.024 0.000 1
2080 174 SER N N 115.998 0.019 1
2081 175 ASP C C 179.233 0.000 1
2082 175 ASP CA C 57.615 0.000 1
2083 175 ASP CB C 40.195 0.000 1
2084 175 ASP H H 8.387 0.003 1
2085 175 ASP HA H 4.467 0.000 1
2086 175 ASP HB2 H 2.969 0.000 1
2087 175 ASP HB3 H 2.701 0.000 1
2088 175 ASP N N 122.444 0.021 1
2089 176 ASN C C 178.107 0.000 1
2090 176 ASN CA C 56.047 0.000 1
2091 176 ASN CB C 37.859 0.008 1
2092 176 ASN H H 8.104 0.001 1
2093 176 ASN HA H 4.583 0.000 1
2094 176 ASN HB2 H 2.942 0.000 1
2095 176 ASN HB3 H 3.130 0.000 1
2096 176 ASN HD21 H 6.861 0.000 1
2097 176 ASN HD22 H 7.814 0.000 1
2098 176 ASN N N 118.419 0.036 1
2099 176 ASN ND2 N 111.196 0.001 1
2100 177 LEU C C 177.901 0.000 1
2101 177 LEU CA C 58.647 0.000 1
2102 177 LEU CB C 41.551 0.004 1
2103 177 LEU CD1 C 25.564 0.000 1
2104 177 LEU CD2 C 26.037 0.000 1
2105 177 LEU CG C 28.185 0.000 1
2106 177 LEU H H 8.100 0.002 1
2107 177 LEU HA H 4.074 0.000 1
2108 177 LEU HB2 H 1.777 0.000 1
2109 177 LEU HB3 H 2.161 0.000 1
2110 177 LEU HD11 H 1.064 0.000 1
2111 177 LEU HD12 H 1.064 0.000 1
2112 177 LEU HD13 H 1.064 0.000 1
2113 177 LEU HD21 H 1.002 0.000 1
2114 177 LEU HD22 H 1.002 0.000 1
2115 177 LEU HD23 H 1.002 0.000 1
2116 177 LEU HG H 1.765 0.000 1
2117 177 LEU N N 122.849 0.056 1
2118 178 VAL C C 177.707 0.000 1
2119 178 VAL CA C 67.888 0.000 1
2120 178 VAL CB C 31.679 0.000 1
2121 178 VAL CG1 C 21.241 0.000 1
2122 178 VAL CG2 C 23.751 0.000 1
2123 178 VAL H H 8.249 0.000 1
2124 178 VAL HA H 3.458 0.000 1
2125 178 VAL HB H 2.332 0.000 1
2126 178 VAL HG11 H 1.012 0.000 1
2127 178 VAL HG12 H 1.012 0.000 1
2128 178 VAL HG13 H 1.012 0.000 1
2129 178 VAL HG21 H 1.220 0.000 1
2130 178 VAL HG22 H 1.220 0.000 1
2131 178 VAL HG23 H 1.220 0.000 1
2132 178 VAL N N 119.664 0.015 1
2133 179 LYS C C 179.419 0.000 1
2134 179 LYS CA C 59.555 0.000 1
2135 179 LYS CB C 32.279 0.000 1
2136 179 LYS CD C 25.548 0.006 1
2137 179 LYS CE C 42.286 0.000 1
2138 179 LYS CG C 29.209 0.000 1
2139 179 LYS H H 7.970 0.001 1
2140 179 LYS HA H 4.135 0.000 1
2141 179 LYS HB2 H 1.987 0.000 1
2142 179 LYS HB3 H 1.987 0.000 1
2143 179 LYS HD2 H 1.706 0.000 1
2144 179 LYS HD3 H 1.552 0.000 1
2145 179 LYS HE2 H 3.055 0.000 1
2146 179 LYS HE3 H 3.055 0.000 1
2147 179 LYS HG2 H 1.772 0.000 1
2148 179 LYS HG3 H 1.772 0.000 1
2149 179 LYS N N 117.605 0.017 1
2150 180 ALA C C 179.730 0.000 1
2151 180 ALA CA C 54.952 0.000 1
2152 180 ALA CB C 18.047 0.000 1
2153 180 ALA H H 7.933 0.000 1
2154 180 ALA HA H 4.249 0.000 1
2155 180 ALA HB1 H 1.561 0.000 1
2156 180 ALA HB2 H 1.561 0.000 1
2157 180 ALA HB3 H 1.561 0.000 1
2158 180 ALA N N 121.376 0.019 1
2159 181 ALA C C 178.916 0.000 1
2160 181 ALA CA C 54.525 0.000 1
2161 181 ALA CB C 18.955 0.000 1
2162 181 ALA H H 8.668 0.000 1
2163 181 ALA HA H 4.226 0.000 1
2164 181 ALA HB1 H 1.566 0.000 1
2165 181 ALA HB2 H 1.566 0.000 1
2166 181 ALA HB3 H 1.566 0.000 1
2167 181 ALA N N 118.878 0.011 1
2168 182 GLN C C 177.614 0.000 1
2169 182 GLN CA C 57.978 0.000 1
2170 182 GLN CB C 28.806 0.000 1
2171 182 GLN CG C 34.675 0.004 1
2172 182 GLN H H 8.125 0.004 1
2173 182 GLN HA H 4.159 0.000 1
2174 182 GLN HB2 H 2.282 0.000 1
2175 182 GLN HB3 H 2.173 0.000 1
2176 182 GLN HE21 H 6.771 0.000 1
2177 182 GLN HE22 H 7.275 0.000 1
2178 182 GLN HG2 H 2.462 0.000 1
2179 182 GLN HG3 H 2.724 0.000 1
2180 182 GLN N N 115.817 0.015 1
2181 182 GLN NE2 N 110.494 0.032 1
2182 183 LYS C C 176.962 0.000 1
2183 183 LYS CA C 57.446 0.000 1
2184 183 LYS CB C 32.317 0.000 1
2185 183 LYS CD C 29.161 0.000 1
2186 183 LYS CE C 42.266 0.000 1
2187 183 LYS CG C 25.178 0.000 1
2188 183 LYS H H 7.731 0.001 1
2189 183 LYS HA H 4.200 0.000 1
2190 183 LYS HB2 H 1.890 0.000 1
2191 183 LYS HB3 H 1.890 0.000 1
2192 183 LYS HD2 H 1.764 0.000 1
2193 183 LYS HD3 H 1.764 0.000 1
2194 183 LYS HE2 H 3.040 0.000 1
2195 183 LYS HE3 H 3.040 0.000 1
2196 183 LYS HG2 H 1.609 0.000 2
2197 183 LYS HG3 H 1.522 0.000 2
2198 183 LYS N N 118.655 0.010 1
2199 184 ALA C C 177.657 0.000 1
2200 184 ALA CA C 53.116 0.000 1
2201 184 ALA CB C 18.995 0.000 1
2202 184 ALA H H 7.694 0.000 1
2203 184 ALA HA H 3.916 0.000 1
2204 184 ALA HB1 H 1.288 0.000 1
2205 184 ALA HB2 H 1.288 0.000 1
2206 184 ALA HB3 H 1.288 0.000 1
2207 184 ALA N N 121.739 0.027 1
2208 185 ALA C C 177.402 0.000 1
2209 185 ALA CA C 52.870 0.000 1
2210 185 ALA CB C 19.186 0.000 1
2211 185 ALA H H 7.815 0.006 1
2212 185 ALA HA H 4.260 0.000 1
2213 185 ALA HB1 H 1.411 0.000 1
2214 185 ALA HB2 H 1.411 0.000 1
2215 185 ALA HB3 H 1.411 0.000 1
2216 185 ALA N N 121.346 0.032 1
2217 186 ALA C C 177.258 0.000 1
2218 186 ALA CA C 52.620 0.000 1
2219 186 ALA CB C 19.135 0.000 1
2220 186 ALA H H 7.812 0.004 1
2221 186 ALA HA H 4.309 0.000 1
2222 186 ALA HB1 H 1.314 0.000 1
2223 186 ALA HB2 H 1.314 0.000 1
2224 186 ALA HB3 H 1.314 0.000 1
2225 186 ALA N N 121.299 0.066 1
2226 187 PHE C C 175.514 0.000 1
2227 187 PHE CA C 57.587 0.000 1
2228 187 PHE CB C 39.800 0.001 1
2229 187 PHE CD1 C 131.983 0.000 3
2230 187 PHE CD2 C 131.983 0.000 3
2231 187 PHE CE1 C 131.173 0.000 3
2232 187 PHE CE2 C 131.173 0.000 3
2233 187 PHE CZ C 129.424 0.000 1
2234 187 PHE H H 7.946 0.005 1
2235 187 PHE HA H 4.729 0.000 1
2236 187 PHE HB2 H 3.067 0.000 1
2237 187 PHE HB3 H 3.322 0.000 1
2238 187 PHE HD1 H 7.359 0.000 3
2239 187 PHE HD2 H 7.359 0.000 3
2240 187 PHE HE1 H 7.419 0.000 3
2241 187 PHE HE2 H 7.419 0.000 3
2242 187 PHE HZ H 7.352 0.000 1
2243 187 PHE N N 118.287 0.021 1
2244 188 GLU C C 175.073 0.000 1
2245 188 GLU CA C 56.404 0.000 1
2246 188 GLU CB C 30.961 0.004 1
2247 188 GLU CG C 35.947 0.006 1
2248 188 GLU H H 8.153 0.006 1
2249 188 GLU HA H 4.440 0.000 1
2250 188 GLU HB2 H 1.996 0.000 1
2251 188 GLU HB3 H 2.168 0.000 1
2252 188 GLU HG2 H 2.005 0.000 1
2253 188 GLU HG3 H 2.172 0.000 1
2254 188 GLU N N 121.945 0.023 1
2255 189 ASP C C 180.750 0.000 1
2256 189 ASP CA C 55.920 0.000 1
2257 189 ASP CB C 42.370 0.001 1
2258 189 ASP H H 7.977 0.003 1
2259 189 ASP HA H 4.480 0.000 1
2260 189 ASP HB2 H 2.669 0.000 1
2261 189 ASP HB3 H 2.755 0.000 1
2262 189 ASP N N 126.840 0.015 1
stop_
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