Resonance Assignment/Abacus/Spin systems format - Revision history

Agutmana: moved Spin systems format to Resonance Assignment/Abacus/Spin systems format

2010-01-05T23:35:33Z

moved Spin systems format to Resonance Assignment/Abacus/Spin systems format

← Older revision	Revision as of 23:35, 5 January 2010
(No difference)

AlexLemak at 17:05, 1 December 2009

2009-12-01T17:05:49Z

@@ Line 1: / Line 1: @@
-<div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using&nbsp;two different formats, standard and cyana format.</div><div>&nbsp;</div>
+<div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using&nbsp;two different formats, standard and cyana format, respectively.</div><div>&nbsp;</div>
 __TOC__
 === '''1. PB-fragments in standard format.'''  ===
@@ Line 39: / Line 38: @@
 &nbsp;&nbsp; 0.087&nbsp; HG2*&nbsp;&nbsp; 16.018&nbsp; CG2
+Q
@@ Line 178: / Line 241: @@
   </pre><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div></font>
-=== '''<span style="display: none;" id="1259349916483S">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''  ===
+=== '''<span id="1259349916483S" style="display: none;">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''  ===
 <div>'''&nbsp;&nbsp;&nbsp;&nbsp;'''</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>&nbsp;&nbsp;&nbsp; </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">&nbsp;&nbsp;</font></div><pre> &nbsp;&nbsp;  1&nbsp;&nbsp; 8.414&nbsp;&nbsp; 0.000 H&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 2 123.795&nbsp;&nbsp; 0.000 N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1

AlexLemak at 17:05, 1 December 2009

2009-12-01T17:05:09Z

@@ Line 1: / Line 1: @@
 <div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using&nbsp;two different formats, standard and cyana format.</div><div>&nbsp;</div>
 === '''1. PB-fragments in standard format.''' ===
 <div></div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div>&nbsp;</div><div>A fragment is described as follows:</div><div></div><pre>31 X&nbsp;&nbsp;&nbsp; 7&nbsp;&nbsp;&nbsp;&nbsp; 0.000&nbsp;
 &nbsp;&nbsp; 9.025&nbsp; HN&nbsp;&nbsp;&nbsp; 106.560&nbsp; N
@@ Line 66: / Line 69: @@
 </pre><div><font size="2"></font></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><div><font size="2"></font></div><div><font size="2"></font></div><div>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</div><div>'''&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;&nbsp;'''</div>
 === '''2. Assigned AA-fragments in standard format.'''  ===
 <div>&nbsp;&nbsp;&nbsp;&nbsp; </div><div></div><div></div><div></div><div></div><div></div><div>AA-fragments should be ordered in the input file according to their assignment to </div><div>protein sequence positions. </div><div>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </div><div></div><div>
@@ Line 143: / Line 178: @@
   </pre><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div></font>
-=== '''<span id="1259349916483S" style="display: none;">&nbsp;</span>3. CYANA chemical shift file (prot-file).''' ===
+=== '''<span style="display: none;" id="1259349916483S">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''  ===
 <div>'''&nbsp;&nbsp;&nbsp;&nbsp;'''</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>&nbsp;&nbsp;&nbsp; </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">&nbsp;&nbsp;</font></div><pre> &nbsp;&nbsp;  1&nbsp;&nbsp; 8.414&nbsp;&nbsp; 0.000 H&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 2 123.795&nbsp;&nbsp; 0.000 N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1

AlexLemak at 17:04, 1 December 2009

2009-12-01T17:04:30Z

@@ Line 1: / Line 1: @@
-<div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using&nbsp;two different formats, standard and cyana format.</div><div>&nbsp;</div><div>'''1. PB-fragments in standard format.'''</div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div>&nbsp;</div><div>A fragment is described as follows:</div><div></div><pre>31 X&nbsp;&nbsp;&nbsp; 7&nbsp;&nbsp;&nbsp;&nbsp; 0.000&nbsp;
+<div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using&nbsp;two different formats, standard and cyana format.</div><div>&nbsp;</div>
 &nbsp;&nbsp; 9.025&nbsp; HN&nbsp;&nbsp;&nbsp; 106.560&nbsp; N
 &nbsp;&nbsp; 5.221&nbsp; HA&nbsp;&nbsp;&nbsp;&nbsp; 55.302&nbsp; CA
@@ Line 48: / Line 50: @@
-</pre><div><font size="2"></font></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><div><font size="2"></font></div><div><font size="2"></font></div><div>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</div><div>'''&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;&nbsp;'''</div><div>'''2. Assigned AA-fragments in standard format.''' </div><div>&nbsp;&nbsp;&nbsp;&nbsp; </div><div></div><div></div><div></div><div></div><div></div><div>AA-fragments should be ordered in the input file according to their assignment to </div><div>protein sequence positions. </div><div>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </div><div></div><div>
 Each fragment is described as follows
 <pre>&nbsp;11 T&nbsp;&nbsp;&nbsp; 4&nbsp;&nbsp; 174.109&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 106
@@ Line 122: / Line 142: @@
   </pre><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div></font>
-<div>'''<span style="display: none;" id="1259349916483S">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''</div><div>'''&nbsp;&nbsp;&nbsp;&nbsp;'''</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>&nbsp;&nbsp;&nbsp; </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">&nbsp;&nbsp;</font></div><pre> &nbsp;&nbsp;  1&nbsp;&nbsp; 8.414&nbsp;&nbsp; 0.000 H&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 2 123.795&nbsp;&nbsp; 0.000 N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 3&nbsp;&nbsp; 4.723&nbsp;&nbsp; 0.000 HA&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1

AlexLemak: moved Spin-systems to Spin systems format

2009-12-01T16:59:27Z

moved Spin-systems to Spin systems format

← Older revision	Revision as of 16:59, 1 December 2009
(No difference)

AlexLemak at 22:58, 30 November 2009

2009-11-30T22:58:45Z

← Older revision		Revision as of 22:58, 30 November 2009
Line 1:		Line 1:
	<div>Not assigned spin-systems ([[~~Inroduction_to_ABACUS~~#PB_fragment\|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using two different formats, standard and cyana format.</div><div> </div><div>'''1. PB-fragments in standard format.'''</div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div> </div><div>A fragment is described as follows:</div><div></div><pre>31 X    7     0.000		<div>Not assigned spin-systems ([[Introduction to ABACUS#PB_fragment\|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using two different formats, standard and cyana format.</div><div> </div><div>'''1. PB-fragments in standard format.'''</div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div> </div><div>A fragment is described as follows:</div><div></div><pre>31 X    7     0.000
	9.025  HN    106.560  N		9.025  HN    106.560  N
	5.221  HA     55.302  CA		5.221  HA     55.302  CA
Line 34:		Line 34:
	0.087  HG2*   16.018  CG2		0.087  HG2*   16.018  CG2
	Q		Q










Line 114:		Line 122:

	</pre><div><font size="2">     </font></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><font size="2">     </font></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>
	<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 style="display: none;" id="1259349916483S"> </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
	3   4.723   0.000 HA      1		3   4.723   0.000 HA      1

AlexLemak at 22:57, 30 November 2009

2009-11-30T22:57:28Z

← Older revision		Revision as of 22:57, 30 November 2009
Line 34:		Line 34:
	0.087  HG2*   16.018  CG2		0.087  HG2*   16.018  CG2
	Q		Q






Line 110:		Line 114:

	</pre><div><font size="2">     </font></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><font size="2">     </font></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>
	<div>'''<span style="display: none;~~" id="1259349916483S~~"> </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
	3   4.723   0.000 HA      1		3   4.723   0.000 HA      1

AlexLemak at 22:55, 30 November 2009

2009-11-30T22:55:53Z

← Older revision		Revision as of 22:55, 30 November 2009
Line 1:		Line 1:
	<div>Not assigned spin-systems (PB fragments) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using two different formats, standard and cyana format.</div><div> </div><div>'''1. PB-fragments in standard format.'''</div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div> </div><div>A fragment is described as follows:</div><div></div><pre>31 X    7     0.000		<div>Not assigned spin-systems ([[Inroduction_to_ABACUS#PB_fragment\|PB fragments]]) could be loaded in FMCGUI using only one, "standad", format.</div><div>Assigned chemical shifts (spin-systems) could be loaded using two different formats, standard and cyana format.</div><div> </div><div>'''1. PB-fragments in standard format.'''</div><div></div><div></div><div>Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line. </div><div>The line that follow the last fragment should have 'Q' at the first position.</div><div> </div><div>A fragment is described as follows:</div><div></div><pre>31 X    7     0.000
	9.025  HN    106.560  N		9.025  HN    106.560  N
	5.221  HA     55.302  CA		5.221  HA     55.302  CA
Line 8:		Line 8:
	3.205  HD2    43.958  CD		3.205  HD2    43.958  CD
	</pre><div></div><div></div><div></div><div><span><font size="2"></font></span></div><div></div><div></div><div>    </div><div><span><font size="2"></font></span>Here, the first line specify user ID, 1-letter residue type ('X' if not known), the number of the following lines (regading the fragment), and chemical shift of backbone C' atom ( should be '0.000' if it is not known). </div><div> </div><div> The fragments user ID could be any digit number < 500. There is no restriction on the order of fragments in the input file.</div><div> </div><div>''<font size="2">Example</font>''<font size="2">1.1. Not assigned PB-fragments.</font></div><div><font size="2"></font></div><pre> 90 X    5     0.000		</pre><div></div><div></div><div></div><div><span><font size="2"></font></span></div><div></div><div></div><div>    </div><div><span><font size="2"></font></span>Here, the first line specify user ID, 1-letter residue type ('X' if not known), the number of the following lines (regading the fragment), and chemical shift of backbone C' atom ( should be '0.000' if it is not known). </div><div> </div><div> The fragments user ID could be any digit number < 500. There is no restriction on the order of fragments in the input file.</div><div> </div><div>''<font size="2">Example</font>''<font size="2">1.1. Not assigned PB-fragments.</font></div><div><font size="2"></font></div><pre> 90 X    5     0.000

	8.462  HN    122.771  N		8.462  HN    122.771  N
	4.262  HA     56.242  CA		4.262  HA     56.242  CA
Line 33:		Line 34:
	0.087  HG2*   16.018  CG2		0.087  HG2*   16.018  CG2
	Q		Q


	</pre><div><font size="2"></font></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><div><font size="2"></font></div><div><font size="2"></font></div><div>        </div><div>'''         '''</div><div>'''2. Assigned AA-fragments in standard format.''' </div><div>     </div><div></div><div></div><div></div><div></div><div></div><div>AA-fragments should be ordered in the input file according to their assignment to </div><div>protein sequence positions. </div><div>        </div><div></div><div>		</pre><div><font size="2"></font></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><div><font size="2"></font></div><div><font size="2"></font></div><div>        </div><div>'''         '''</div><div>'''2. Assigned AA-fragments in standard format.''' </div><div>     </div><div></div><div></div><div></div><div></div><div></div><div>AA-fragments should be ordered in the input file according to their assignment to </div><div>protein sequence positions. </div><div>        </div><div></div><div>
Line 40:		Line 42:
	4.325  HA     61.900  CA		4.325  HA     61.900  CA
	4.283  HB     69.855  CB		4.283  HB     69.855  CB
	1.126  HG2*   21.639  CG2</pre>		1.126  HG2*   21.639  CG2</pre>



	</div><div></div><div></div><div></div><div>Here, the first line specifies  protein sequence position to which the fragment is assigned, 1-letter amino acid type, the number of the following lines describing the fragment, chemical shift of backbone C' atom, and user ID of the fragment.The last number, user ID, is optional.</div><div></div><div></div><div> </div><div>''<font size="2">Example</font>''<font size="2">2.1. Assigned AA-fragments with user ID specified.</font></div><div><font size="2">  </font></div><pre>...............................		</div><div></div><div></div><div></div><div>Here, the first line specifies  protein sequence position to which the fragment is assigned, 1-letter amino acid type, the number of the following lines describing the fragment, chemical shift of backbone C' atom, and user ID of the fragment.The last number, user ID, is optional.</div><div></div><div></div><div> </div><div>''<font size="2">Example</font>''<font size="2">2.1. Assigned AA-fragments with user ID specified.</font></div><div><font size="2">  </font></div><pre>...............................
	10 G    2   174.136         158		10 G    2   174.136         158
Line 75:		Line 77:
	............................		............................

	</pre><div><font size="2">  </font></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 size="2">''<font size="2"></font>''</font></div></div>		</pre><div><font size="2">  </font></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 size="2">''<font size="2"></font>''</font></div></div>
	<font size="2"><div><font size="2"></font></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><div><font size="2"></font></div><div>''<font size="2"></font>''</div><div>''<font size="2">Example</font>''<font size="2">2.2. Assigned AA-fragments without user ID specified.</font></div><div><font size="2"></font></div><div><font size="2"> </font> </div><div><font size="2"></font></div><pre> .....		<font size="2"><div><font size="2"></font></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><div><font size="2"></font></div><div>''<font size="2"></font>''</div><div>''<font size="2">Example</font>''<font size="2">2.2. Assigned AA-fragments without user ID specified.</font></div><div><font size="2"></font></div><div><font size="2"> </font> </div><div><font size="2"></font></div><pre> .....
	10 G    2   174.136		10 G    2   174.136
Line 108:		Line 110:

	</pre><div><font size="2">     </font></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><font size="2">     </font></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>
	<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 style="display: none;" id="1259349916483S"> </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
	3   4.723   0.000 HA      1		3   4.723   0.000 HA      1

AlexLemak at 20:11, 27 November 2009

2009-11-27T20:11:17Z

@@ Line 76: / Line 76: @@
 </pre><div><font size="2">&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div><div><font size="2"></font><div><font size="2">''<font size="2"></font>''</font></div></div>
-<font size="2"><div><font size="2"></font></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><div><font size="2"></font></div><div>''<font size="2"></font>''</div><div>''<font size="2">Example</font>''<font size="2">2.2. Assigned AA-fragments without user ID specified.</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;</font></div><pre>.....
+<font size="2"><div><font size="2"></font></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><div><font size="2"></font></div><div>''<font size="2"></font>''</div><div>''<font size="2">Example</font>''<font size="2">2.2. Assigned AA-fragments without user ID specified.</font></div><div><font size="2"></font></div><div><font size="2">&nbsp;</font>&nbsp;</div><div><font size="2"></font></div><pre>   .....
 &nbsp;10 G&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 174.136&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 &nbsp;&nbsp; 8.605&nbsp; HN&nbsp;&nbsp;&nbsp; 110.399&nbsp; N
@@ Line 136: / Line 106: @@
 &nbsp;&nbsp; 0.642&nbsp; HG2*&nbsp;&nbsp; 20.806&nbsp; CG2
 ...........&nbsp;
-    </font></pre><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div></font>
 <div>'''<span id="1259349916483S" style="display: none">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''</div><div>'''&nbsp;&nbsp;&nbsp;&nbsp;'''</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>&nbsp;&nbsp;&nbsp; </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">&nbsp;&nbsp;</font></div><pre> &nbsp;&nbsp;  1&nbsp;&nbsp; 8.414&nbsp;&nbsp; 0.000 H&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 2 123.795&nbsp;&nbsp; 0.000 N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1

AlexLemak at 20:10, 27 November 2009

2009-11-27T20:10:03Z

@@ Line 106: / Line 106: @@
 &nbsp;&nbsp; 0.642&nbsp; HG2*&nbsp;&nbsp; 20.806&nbsp; CG2
 ...........&nbsp;&nbsp;
-</pre><div>&nbsp;</div><div>&nbsp;</div><div><font size="2">&nbsp;&nbsp;</font></div><div><font size="2">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</font></div><div><font size="2"></font></div><div><font size="2"></font></div></font>
+</pre><div>&nbsp;</div><div>&nbsp;</div><div><font size="2"></font></div><pre><font size="2">   .....
 <div>'''<span id="1259349916483S" style="display: none">&nbsp;</span>3. CYANA chemical shift file (prot-file).'''</div><div>'''&nbsp;&nbsp;&nbsp;&nbsp;'''</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>&nbsp;&nbsp;&nbsp; </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">&nbsp;&nbsp;</font></div><pre> &nbsp;&nbsp;  1&nbsp;&nbsp; 8.414&nbsp;&nbsp; 0.000 H&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1
 &nbsp;&nbsp;&nbsp;&nbsp; 2 123.795&nbsp;&nbsp; 0.000 N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1