Resonance Assignment/Abacus/Spin systems format: Difference between revisions
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0.642 HG2* 20.806 CG2 | 0.642 HG2* 20.806 CG2 | ||
........... | ........... | ||
</pre><div> </div><div> </div><div><font size="2"> </font></div><div><font size="2"> </font></div><div><font size="2"></font></div><div><font size="2"></font></div></font> | </pre><div> </div><div> </div><div><font size="2"></font></div><pre><font size="2"> ..... | ||
10 G 2 174.136 | |||
8.605 HN 110.399 N | |||
3.708 HA* 46.225 CA | |||
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11 T 4 174.109 | |||
8.114 HN 113.206 N | |||
4.325 HA 61.900 CA | |||
4.283 HB 69.855 CB | |||
1.126 HG2* 21.639 CG2 | |||
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12 N 1 175.100 | |||
8.231 HN 122.327 N | |||
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16 A 2 179.269 | |||
3.224 HA 56.082 CA | |||
1.518 HB* 18.860 CB | |||
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17 D 3 179.378 | |||
8.451 HN 116.577 N | |||
4.370 HA 57.335 CA | |||
2.656 HB* 39.698 CB | |||
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18 V 5 177.276 | |||
7.579 HN 122.993 N | |||
3.720 HA 65.701 CA | |||
2.068 HB 31.930 CB | |||
1.160 HG1* 22.719 CG1 | |||
0.642 HG2* 20.806 CG2 | |||
........... | |||
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<div>'''<span id="1259349916483S" style="display: none"> </span>3. CYANA chemical shift file (prot-file).'''</div><div>''' '''</div><div></div><div></div><div>Assigned chemical shifts caould be loaded in FMCGUI and automatically transformed in a set of assigned PB-frsagments.</div><div> </div><div></div><div></div><div></div><div></div><div></div><div>''<font size="2">Example</font>''<font size="2">3.1. Assigned chemical shifts.</font></div><div><font size="2"> </font></div><pre> 1 8.414 0.000 H 1 | <div>'''<span id="1259349916483S" style="display: none"> </span>3. CYANA chemical shift file (prot-file).'''</div><div>''' '''</div><div></div><div></div><div>Assigned chemical shifts caould be loaded in FMCGUI and automatically transformed in a set of assigned PB-frsagments.</div><div> </div><div></div><div></div><div></div><div></div><div></div><div>''<font size="2">Example</font>''<font size="2">3.1. Assigned chemical shifts.</font></div><div><font size="2"> </font></div><pre> 1 8.414 0.000 H 1 | ||
2 123.795 0.000 N 1 | 2 123.795 0.000 N 1 |
Revision as of 20:10, 27 November 2009
31 X 7 0.000 9.025 HN 106.560 N 5.221 HA 55.302 CA 1.940 HB* 33.679 CB 1.480 HG1 27.976 CG 1.775 HG2 27.976 CG 2.943 HD1 43.958 CD 3.205 HD2 43.958 CD
90 X 5 0.0008.462 HN 122.771 N 4.262 HA 56.242 CA 1.880 HB1 30.528 CB 2.006 HB2 30.528 CB 2.222 HG* 36.201 CG 91 S 4 174.082 8.089 HN 123.488 N 4.626 HA 55.058 CA 3.413 HB1 65.338 CB 3.801 HB2 65.338 CB 247 X 5 0.000 8.070 HN 123.607 N 4.034 HA 62.358 CA 2.048 HB 32.775 CB 0.873 HG1* 21.111 CG1 0.884 HG2* 20.501 CG2 18 X 4 0.000 8.110 HN 123.044 N 5.042 HA 58.559 CA 4.179 HB 70.135 CB 0.087 HG2* 16.018 CG2 Q
Each fragment is described as follows
11 T 4 174.109 106 8.114 HN 113.206 N 4.325 HA 61.900 CA 4.283 HB 69.855 CB 1.126 HG2* 21.639 CG2
............................... 10 G 2 174.136 158 8.605 HN 110.399 N 3.708 HA* 46.225 CA 11 T 4 174.109 106 8.114 HN 113.206 N 4.325 HA 61.900 CA 4.283 HB 69.855 CB 1.126 HG2* 21.639 CG2 12 N 1 175.100 999 8.231 HN 122.327 N 16 A 2 179.269 50 3.224 HA 56.082 CA 1.518 HB* 18.860 CB 17 D 3 179.378 74 8.451 HN 116.577 N 4.370 HA 57.335 CA 2.656 HB* 39.698 CB 18 V 5 177.276 117 7.579 HN 122.993 N 3.720 HA 65.701 CA 2.068 HB 31.930 CB 1.160 HG1* 22.719 CG1 0.642 HG2* 20.806 CG2 ............................
..... 10 G 2 174.136 158 8.605 HN 110.399 N 3.708 HA* 46.225 CA 11 T 4 174.109 106 8.114 HN 113.206 N 4.325 HA 61.900 CA 4.283 HB 69.855 CB 1.126 HG2* 21.639 CG2 12 N 1 175.100 999 8.231 HN 122.327 N 16 A 2 179.269 50 3.224 HA 56.082 CA 1.518 HB* 18.860 CB 17 D 3 179.378 74 8.451 HN 116.577 N 4.370 HA 57.335 CA 2.656 HB* 39.698 CB 18 V 5 177.276 117 7.579 HN 122.993 N 3.720 HA 65.701 CA 2.068 HB 31.930 CB 1.160 HG1* 22.719 CG1 0.642 HG2* 20.806 CG2 ...........
<font size="2"> .....10 G 2 174.136 8.605 HN 110.399 N 3.708 HA* 46.225 CA 11 T 4 174.109 8.114 HN 113.206 N 4.325 HA 61.900 CA 4.283 HB 69.855 CB 1.126 HG2* 21.639 CG2 12 N 1 175.100 8.231 HN 122.327 N 16 A 2 179.269 3.224 HA 56.082 CA 1.518 HB* 18.860 CB 17 D 3 179.378 8.451 HN 116.577 N 4.370 HA 57.335 CA 2.656 HB* 39.698 CB 18 V 5 177.276 7.579 HN 122.993 N 3.720 HA 65.701 CA 2.068 HB 31.930 CB 1.160 HG1* 22.719 CG1 0.642 HG2* 20.806 CG2 ...........
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1 8.414 0.000 H 1 2 123.795 0.000 N 1 3 4.723 0.000 HA 1 4 53.298 0.000 CA 1 5 1.898 0.000 HB3 1 6 32.288 0.000 CB 1 7 2.030 0.000 HB2 1 8 2.475 0.000 HG3 1 9 32.024 0.000 CG 1 10 2.547 0.000 HG2 1 11 177.440 0.000 C 2 12 4.379 0.000 HA 2 13 63.455 0.000 CA 2 14 1.914 0.000 HB3 2 15 32.194 0.000 CB 2 16 2.268 0.000 HB2 2 17 1.971 0.000 HG3 2 18 27.313 0.000 CG 2 19 2.008 0.000 HG2 2 20 3.650 0.000 QD 2 21 50.670 0.000 CD 2 22 173.945 0.000 C 3 23 8.438 0.000 H 3 24 108.915 0.000 N 3 25 3.941 0.000 QA 3 26 45.341 0.000 CA 3 ..................................