NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
577505 |
2mez   |
19028 | cing | 1-original | 1 | STAR | chemical shift |
_Mol_residue_sequence
;
MRKKATLKPPKMENAELEIVTDYYKIIKTAREQLGISQQQ
LAQKLKVSENIVKRFESGKLKPTISQARQLEKILGIKLVT
PLENNEESEKEFDDTGLTLGDVVNIKEGKKLEHHHHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 56 Met 2 57 Arg 3 58 Lys 4 59 Lys 5 60 Ala
6 61 Thr 7 62 Leu 8 63 Lys 9 64 Pro 10 65 Pro
11 66 Lys 12 67 Met 13 68 Glu 14 69 Asn 15 70 Ala
16 71 Glu 17 72 Leu 18 73 Glu 19 74 Ile 20 75 Val
21 76 Thr 22 77 Asp 23 78 Tyr 24 79 Tyr 25 80 Lys
26 81 Ile 27 82 Ile 28 83 Lys 29 84 Thr 30 85 Ala
31 86 Arg 32 87 Glu 33 88 Gln 34 89 Leu 35 90 Gly
36 91 Ile 37 92 Ser 38 93 Gln 39 94 Gln 40 95 Gln
41 96 Leu 42 97 Ala 43 98 Gln 44 99 Lys 45 100 Leu
46 101 Lys 47 102 Val 48 103 Ser 49 104 Glu 50 105 Asn
51 106 Ile 52 107 Val 53 108 Lys 54 109 Arg 55 110 Phe
56 111 Glu 57 112 Ser 58 113 Gly 59 114 Lys 60 115 Leu
61 116 Lys 62 117 Pro 63 118 Thr 64 119 Ile 65 120 Ser
66 121 Gln 67 122 Ala 68 123 Arg 69 124 Gln 70 125 Leu
71 126 Glu 72 127 Lys 73 128 Ile 74 129 Leu 75 130 Gly
76 131 Ile 77 132 Lys 78 133 Leu 79 134 Val 80 135 Thr
81 136 Pro 82 137 Leu 83 138 Glu 84 139 Asn 85 140 Asn
86 141 Glu 87 142 Glu 88 143 Ser 89 144 Glu 90 145 Lys
91 146 Glu 92 147 Phe 93 148 Asp 94 149 Asp 95 150 Thr
96 151 Gly 97 152 Leu 98 153 Thr 99 154 Leu 100 155 Gly
101 156 Asp 102 157 Val 103 158 Val 104 159 Asn 105 160 Ile
106 161 Lys 107 162 Glu 108 163 Gly 109 164 Lys 110 165 Lys
111 166 Leu 112 167 Glu 113 168 His 114 169 His 115 170 His
116 171 His 117 172 His 118 173 His stop_
###################################################################
# 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_chem_shift.ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Ambiguity_code
#
#Atom Residue
#shift Seq Residue Atom Atom Shift/ Error/ Ambiguity
#assign code Label Name Type ppm ppm Code
#---------------------------------------------------------------
#
1 13 Glu C C 175.797 0.000 1
2 13 Glu CA C 62.625 0.000 1
3 13 Glu CB C 32.707 0.000 1
4 14 Asn C C 174.669 0.000 1
5 14 Asn CA C 53.374 0.050 1
6 14 Asn CB C 38.820 0.043 1
7 14 Asn H H 7.769 1.385 1
8 14 Asn N N 120.695 3.145 1
9 15 Ala C C 177.380 0.000 1
10 15 Ala CA C 52.746 0.057 1
11 15 Ala CB C 19.478 0.013 1
12 15 Ala H H 7.544 1.382 1
13 15 Ala N N 122.273 2.934 1
14 16 Glu C C 175.669 0.000 1
15 16 Glu CA C 56.441 0.013 1
16 16 Glu CB C 30.209 0.079 1
17 16 Glu H H 7.927 1.229 1
18 16 Glu N N 118.557 2.794 1
19 17 Leu C C 176.573 0.000 1
20 17 Leu CA C 54.861 0.092 1
21 17 Leu CB C 42.687 0.073 1
22 17 Leu H H 7.315 1.383 1
23 17 Leu N N 121.166 2.791 1
24 18 Glu C C 174.014 0.000 1
25 18 Glu CA C 54.571 0.048 1
26 18 Glu CB C 33.921 0.024 1
27 18 Glu H H 8.082 1.297 1
28 18 Glu N N 120.109 3.149 1
29 19 Ile C C 177.189 0.000 1
30 19 Ile CA C 58.129 0.060 1
31 19 Ile CB C 37.832 0.036 1
32 19 Ile H H 7.847 1.248 1
33 19 Ile N N 119.030 2.796 1
34 20 Val C C 177.416 0.000 1
35 20 Val CA C 62.334 0.056 1
36 20 Val CB C 32.322 0.065 1
37 20 Val H H 7.919 1.185 1
38 20 Val N N 121.041 2.790 1
39 21 Thr C C 175.175 0.000 1
40 21 Thr CA C 65.772 0.045 1
41 21 Thr CB C 69.464 0.055 1
42 21 Thr H H 8.046 1.105 1
43 21 Thr N N 115.397 2.562 1
44 22 Asp CB C 37.940 0.000 1
45 22 Asp H H 7.755 1.515 1
46 22 Asp N N 114.312 3.614 1
47 25 Lys C C 178.799 0.000 1
48 25 Lys CA C 32.760 0.000 1
49 25 Lys CB C 58.058 0.000 1
50 26 Ile C C 178.972 0.000 1
51 26 Ile CA C 64.548 0.059 1
52 26 Ile CB C 38.208 0.042 1
53 26 Ile H H 6.759 1.529 1
54 26 Ile N N 119.860 2.791 1
55 27 Ile C C 175.783 0.000 1
56 27 Ile CA C 66.058 0.034 1
57 27 Ile CB C 39.518 0.021 1
58 27 Ile H H 7.703 1.286 1
59 27 Ile N N 117.132 2.793 1
60 28 Lys C C 177.991 0.000 1
61 28 Lys CA C 60.374 0.043 1
62 28 Lys CB C 33.723 0.035 1
63 28 Lys H H 6.506 1.594 1
64 28 Lys N N 116.650 2.798 1
65 29 Thr C C 176.726 0.000 1
66 29 Thr CA C 66.511 0.038 1
67 29 Thr CB C 69.105 0.056 1
68 29 Thr H H 7.624 1.307 1
69 29 Thr N N 111.164 2.794 1
70 30 Ala C C 179.526 0.000 1
71 30 Ala CA C 55.045 0.028 1
72 30 Ala CB C 20.172 0.035 1
73 30 Ala H H 7.231 1.408 1
74 30 Ala N N 121.776 2.793 1
75 31 Arg C C 178.833 0.000 1
76 31 Arg CA C 60.915 0.019 1
77 31 Arg CB C 28.437 0.040 1
78 31 Arg H H 8.282 1.137 1
79 31 Arg N N 117.358 2.794 1
80 32 Glu C C 180.868 0.000 1
81 32 Glu CA C 59.596 0.007 1
82 32 Glu CB C 29.245 0.085 1
83 32 Glu H H 7.862 1.299 1
84 32 Glu N N 115.861 2.957 1
85 33 Gln C C 178.181 0.000 1
86 33 Gln CA C 58.958 0.050 1
87 33 Gln CB C 28.311 0.075 1
88 33 Gln H H 7.765 1.270 1
89 33 Gln N N 119.271 2.775 1
90 34 Leu C C 177.794 0.000 1
91 34 Leu CA C 55.377 0.055 1
92 34 Leu CB C 43.132 0.032 1
93 34 Leu H H 7.279 1.293 1
94 34 Leu N N 117.146 2.497 1
95 35 Gly C C 174.537 0.000 1
96 35 Gly CA C 46.304 0.013 1
97 35 Gly H H 7.310 1.447 1
98 35 Gly N N 106.920 2.955 1
99 36 Ile C C 175.653 0.000 1
100 36 Ile CA C 59.852 0.031 1
101 36 Ile CB C 40.467 0.022 1
102 36 Ile H H 6.588 1.715 1
103 36 Ile N N 115.895 3.148 1
104 37 Ser C C 175.828 0.000 1
105 37 Ser CA C 57.660 0.023 1
106 37 Ser CB C 65.660 0.000 1
107 37 Ser H H 8.657 1.040 1
108 37 Ser N N 122.033 2.792 1
109 38 Gln C C 178.135 0.000 1
110 38 Gln CA C 61.008 0.040 1
111 38 Gln CB C 28.086 0.042 1
112 38 Gln H H 9.067 0.936 1
113 38 Gln N N 119.459 2.780 1
114 39 Gln C C 178.025 0.000 1
115 39 Gln CA C 59.699 0.079 1
116 39 Gln CB C 28.060 0.087 1
117 39 Gln H H 8.196 1.156 1
118 39 Gln N N 117.335 2.796 1
119 40 Gln C C 179.359 0.000 1
120 40 Gln CA C 58.933 0.038 1
121 40 Gln CB C 29.018 0.015 1
122 40 Gln H H 7.605 1.312 1
123 40 Gln N N 118.846 2.794 1
124 41 Leu C C 177.480 0.000 1
125 41 Leu CA C 57.882 0.059 1
126 41 Leu CB C 41.285 0.019 1
127 41 Leu H H 7.817 1.258 1
128 41 Leu N N 118.982 2.795 1
129 42 Ala C C 179.387 0.000 1
130 42 Ala CA C 55.530 0.076 1
131 42 Ala CB C 16.970 0.013 1
132 42 Ala H H 7.861 1.246 1
133 42 Ala N N 120.081 2.796 1
134 43 Gln C C 179.958 0.000 1
135 43 Gln CA C 59.134 0.031 1
136 43 Gln CB C 28.156 0.073 1
137 43 Gln H H 7.432 1.417 1
138 43 Gln N N 115.289 2.968 1
139 44 Lys C C 178.071 0.000 1
140 44 Lys CA C 59.131 0.019 1
141 44 Lys CB C 33.056 0.040 1
142 44 Lys H H 7.115 1.500 1
143 44 Lys N N 117.739 2.959 1
144 45 Leu C C 175.498 0.000 1
145 45 Leu CA C 55.033 0.017 1
146 45 Leu CB C 44.519 0.006 1
147 45 Leu H H 7.257 1.353 1
148 45 Leu N N 117.043 2.651 1
149 46 Lys C C 176.250 0.000 1
150 46 Lys CA C 57.469 0.073 1
151 46 Lys CB C 28.896 0.023 1
152 46 Lys H H 7.472 1.345 1
153 46 Lys N N 115.301 2.776 1
154 47 Val C C 174.704 0.000 1
155 47 Val CA C 58.327 0.019 1
156 47 Val CB C 35.683 0.016 1
157 47 Val H H 7.428 1.357 1
158 47 Val N N 109.116 2.793 1
159 48 Ser C C 176.137 0.000 1
160 48 Ser CA C 57.524 0.000 1
161 48 Ser CB C 64.635 0.000 1
162 48 Ser H H 7.309 1.330 1
163 48 Ser N N 113.622 0.002 1
164 50 Asn C C 177.001 0.000 1
165 50 Asn CA C 56.479 0.000 1
166 50 Asn CB C 38.419 0.000 1
167 51 Ile C C 176.783 0.006 1
168 51 Ile CA C 63.159 0.030 1
169 51 Ile CB C 35.142 0.092 1
170 51 Ile H H 6.912 1.431 1
171 51 Ile N N 119.242 2.653 1
172 52 Val C C 177.747 0.000 1
173 52 Val CA C 67.056 0.048 1
174 52 Val CB C 31.354 0.080 1
175 52 Val H H 5.893 1.754 1
176 52 Val N N 116.521 2.792 1
177 53 Lys C C 180.155 0.000 1
178 53 Lys CA C 60.624 0.062 1
179 53 Lys CB C 32.375 0.058 1
180 53 Lys H H 7.529 1.332 1
181 53 Lys N N 116.820 2.795 1
182 54 Arg C C 179.645 0.000 1
183 54 Arg CA C 59.754 0.052 1
184 54 Arg CB C 31.085 0.081 1
185 54 Arg H H 7.278 1.396 1
186 54 Arg N N 118.565 2.794 1
187 55 Phe C C 179.682 0.000 1
188 55 Phe CA C 57.083 0.041 1
189 55 Phe CB C 38.398 0.005 1
190 55 Phe H H 8.249 1.145 1
191 55 Phe N N 119.932 2.795 1
192 56 Glu C C 177.320 0.000 1
193 56 Glu CA C 59.556 0.047 1
194 56 Glu CB C 30.010 0.096 1
195 56 Glu H H 7.525 1.333 1
196 56 Glu N N 112.937 2.793 1
197 57 Ser C C 175.530 0.000 1
198 57 Ser CA C 57.701 0.046 1
199 57 Ser CB C 64.220 0.066 1
200 57 Ser H H 7.481 1.345 1
201 57 Ser N N 110.659 2.815 1
202 58 Gly C C 174.115 0.000 1
203 58 Gly CA C 45.835 0.029 1
204 58 Gly H H 7.171 1.485 1
205 58 Gly N N 108.571 2.956 1
206 59 Lys C C 175.524 0.000 1
207 59 Lys CA C 55.789 0.102 1
208 59 Lys CB C 33.501 0.065 1
209 59 Lys H H 7.293 1.519 1
210 59 Lys N N 115.268 3.153 1
211 60 Leu C C 173.934 0.000 1
212 60 Leu CA C 54.203 0.077 1
213 60 Leu CB C 47.407 0.059 1
214 60 Leu H H 6.821 1.513 1
215 60 Leu N N 120.529 2.793 1
216 61 Lys C C 174.751 0.000 1
217 61 Lys CA C 53.862 0.000 1
218 61 Lys CB C 33.256 0.000 1
219 61 Lys H H 8.115 1.182 1
220 61 Lys N N 125.965 2.813 1
221 62 Pro C C 176.076 0.000 1
222 62 Pro CA C 62.013 0.041 1
223 62 Pro CB C 31.346 0.032 1
224 63 Thr C C 175.244 0.000 1
225 63 Thr CA C 61.260 0.060 1
226 63 Thr CB C 70.690 0.054 1
227 63 Thr H H 7.902 1.235 1
228 63 Thr N N 110.481 2.795 1
229 64 Ile C C 178.001 0.000 1
230 64 Ile CA C 63.979 0.013 1
231 64 Ile CB C 35.290 0.098 1
232 64 Ile H H 8.286 1.136 1
233 64 Ile N N 119.782 2.792 1
234 65 Ser C C 178.551 0.000 1
235 65 Ser CA C 62.483 0.036 1
236 65 Ser H H 7.829 1.310 1
237 65 Ser N N 112.164 2.948 1
238 66 Gln C C 178.554 0.000 1
239 66 Gln CA C 58.575 0.010 1
240 66 Gln CB C 28.859 0.028 1
241 66 Gln H H 6.970 1.609 1
242 66 Gln N N 119.726 3.147 1
243 67 Ala C C 179.328 0.000 1
244 67 Ala CA C 54.973 0.069 1
245 67 Ala CB C 18.312 0.050 1
246 67 Ala H H 8.865 0.986 1
247 67 Ala N N 120.709 2.794 1
248 68 Arg C C 179.896 0.000 1
249 68 Arg CA C 58.488 0.056 1
250 68 Arg CB C 29.751 0.055 1
251 68 Arg H H 8.072 1.191 1
252 68 Arg N N 115.534 2.795 1
253 69 Gln C C 178.865 0.000 1
254 69 Gln CA C 59.237 0.030 1
255 69 Gln CB C 28.990 0.002 1
256 69 Gln H H 6.936 1.484 1
257 69 Gln N N 117.773 2.792 1
258 70 Leu C C 178.473 0.000 1
259 70 Leu CA C 58.731 0.081 1
260 70 Leu CB C 43.207 0.090 1
261 70 Leu H H 8.035 1.156 1
262 70 Leu N N 118.993 2.791 1
263 71 Glu C C 179.631 0.000 1
264 71 Glu CA C 60.111 0.029 1
265 71 Glu CB C 30.200 0.016 1
266 71 Glu H H 8.281 1.051 1
267 71 Glu N N 117.445 2.509 1
268 72 Lys C C 178.968 0.000 1
269 72 Lys CA C 58.508 0.045 1
270 72 Lys CB C 32.597 0.069 1
271 72 Lys H H 6.562 1.580 1
272 72 Lys N N 116.253 2.785 1
273 73 Ile C C 177.435 0.000 1
274 73 Ile CA C 64.656 0.048 1
275 73 Ile CB C 40.090 0.063 1
276 73 Ile H H 7.737 1.279 1
277 73 Ile N N 117.521 2.795 1
278 74 Leu C C 176.320 0.000 1
279 74 Leu CA C 54.202 0.017 1
280 74 Leu CB C 42.777 0.060 1
281 74 Leu H H 7.803 1.260 1
282 74 Leu N N 112.369 2.796 1
283 75 Gly C C 174.900 0.000 1
284 75 Gly CA C 47.438 0.049 1
285 75 Gly H H 7.098 1.505 1
286 75 Gly N N 108.459 2.955 1
287 76 Ile C C 174.343 0.000 1
288 76 Ile CA C 58.772 0.041 1
289 76 Ile CB C 41.551 0.037 1
290 76 Ile H H 6.399 1.633 1
291 76 Ile N N 108.225 2.815 1
292 77 Lys C C 175.418 0.000 1
293 77 Lys CA C 54.776 0.032 1
294 77 Lys CB C 33.418 0.043 1
295 77 Lys H H 7.710 1.285 1
296 77 Lys N N 118.028 2.795 1
297 78 Leu C C 175.221 0.000 1
298 78 Leu CA C 54.551 0.000 1
299 78 Leu CB C 48.281 0.009 1
300 78 Leu H H 10.636 0.554 1
301 78 Leu N N 120.924 2.948 1
302 79 Val C C 175.352 0.000 1
303 79 Val CA C 61.562 0.035 1
304 79 Val CB C 33.100 0.061 1
305 79 Val H H 6.790 1.661 1
306 79 Val N N 118.236 3.150 1
307 80 Thr C C 181.419 0.000 1
308 80 Thr CA C 58.139 0.000 1
309 80 Thr CB C 69.736 0.000 1
310 80 Thr H H 8.393 1.208 1
311 80 Thr N N 118.983 3.148 1
312 88 Ser C C 174.625 0.000 1
313 88 Ser CA C 58.706 0.046 1
314 88 Ser CB C 64.014 0.086 1
315 88 Ser H H 7.742 1.276 1
316 88 Ser N N 115.445 2.793 1
317 89 Glu CA C 56.661 0.000 1
318 89 Glu CB C 30.272 0.000 1
319 89 Glu H H 7.983 1.164 1
320 89 Glu N N 121.734 2.539 1
321 94 Asp C C 177.003 0.000 1
322 94 Asp CA C 54.275 0.000 1
323 94 Asp CB C 41.044 0.000 1
324 95 Thr C C 175.772 0.000 1
325 95 Thr CA C 63.165 0.023 1
326 95 Thr CB C 69.670 0.081 1
327 95 Thr H H 7.754 1.273 1
328 95 Thr N N 112.886 2.792 1
329 96 Gly C C 174.246 0.000 1
330 96 Gly CA C 45.627 0.004 1
331 96 Gly H H 7.915 1.285 1
332 96 Gly N N 109.598 2.957 1
333 97 Leu C C 177.615 0.000 1
334 97 Leu CA C 55.315 0.070 1
335 97 Leu CB C 42.458 0.009 1
336 97 Leu H H 7.255 1.530 1
337 97 Leu N N 119.900 3.150 1
338 98 Thr C C 174.593 0.000 1
339 98 Thr CA C 61.917 0.045 1
340 98 Thr CB C 69.942 0.122 1
341 98 Thr H H 7.737 1.276 1
342 98 Thr N N 113.985 2.797 1
343 99 Leu C C 177.782 0.000 1
344 99 Leu CA C 55.576 0.129 1
345 99 Leu CB C 42.259 0.018 1
346 99 Leu H H 7.772 1.268 1
347 99 Leu N N 123.458 2.803 1
348 100 Gly C C 175.989 0.000 1
349 100 Gly CA C 45.308 0.043 1
350 100 Gly H H 7.749 1.330 1
351 100 Gly N N 107.714 2.956 1
352 101 Asp C C 175.094 0.000 1
353 101 Asp CA C 57.467 0.077 1
354 101 Asp CB C 39.941 0.083 1
355 101 Asp H H 7.505 1.460 1
356 101 Asp N N 119.046 3.157 1
357 102 Val C C 176.051 0.000 1
358 102 Val CA C 54.090 0.000 1
359 102 Val CB C 41.434 0.000 1
360 102 Val H H 7.828 1.201 1
361 102 Val N N 121.450 2.655 1
362 106 Lys C C 176.224 0.000 1
363 106 Lys CA C 55.384 0.022 1
364 106 Lys CB C 33.008 0.038 1
365 107 Glu C C 176.887 0.000 1
366 107 Glu CA C 56.834 0.092 1
367 107 Glu CB C 30.273 0.001 1
368 107 Glu H H 8.032 1.203 1
369 107 Glu N N 121.031 2.790 1
370 108 Gly C C 174.033 0.000 1
371 108 Gly CA C 45.465 0.008 1
372 108 Gly H H 7.564 1.512 1
373 108 Gly N N 107.817 3.374 1
374 109 Lys C C 176.327 0.000 1
375 109 Lys CA C 56.308 0.049 1
376 109 Lys CB C 33.098 0.037 1
377 109 Lys H H 8.071 0.005 1
378 109 Lys N N 120.745 0.030 1
379 110 Lys C C 173.823 0.000 1
380 110 Lys CA C 56.607 0.042 1
381 110 Lys CB C 30.332 0.011 1
382 110 Lys H H 7.855 1.249 1
383 110 Lys N N 120.740 2.788 1
384 111 Leu C C 176.394 0.000 1
385 111 Leu CA C 54.533 0.056 1
386 111 Leu CB C 41.323 0.039 1
387 111 Leu H H 7.668 1.297 1
388 111 Leu N N 119.398 2.764 1
389 112 Glu CA C 62.699 0.047 1
390 112 Glu CB C 32.349 0.000 1
391 112 Glu H H 7.505 1.338 1
392 112 Glu N N 118.611 2.798 1
stop_
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