Simultaneous 13C,15N-resolved NOESY: Difference between revisions
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== Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == | == Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY == | ||
Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt> sequences by Youlin Xia and H. Atreya. | Modified from BioPack <tt>gnoesyCNhsqc.c</tt> by Main.AlexEletski, similar to the previous <tt>cnnoesy.c</tt> sequences by Youlin Xia and H. Atreya. | ||
Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high. | Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high. | ||
Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating. | Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating. | ||
* [[NESG:%ATTACHURL%/gnoesyCaliCaroNhsqc.tar|gnoesyCaliCaroNhsqc.tar]]: simNOESY package - tested with VnmrJ 2.1B | *[[NESG:%ATTACHURL%/gnoesyCaliCaroNhsqc.tar|gnoesyCaliCaroNhsqc.tar]]: simNOESY package - tested with VnmrJ 2.1B | ||
<br> Contents: | |||
*vnmrsys/psglib/gnoesyCaliCaroNhsqc.c | |||
* vnmrsys/psglib/gnoesyCaliCaroNhsqc.c | *vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/ | ||
* vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/ | *vnmrsys/manual/gnoesyCaliCaroNhsqc | ||
* vnmrsys/manual/gnoesyCaliCaroNhsqc | *vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/ | ||
* vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/ | *vnmrsys/maclib/gnoesyCaliCaroNhsqc | ||
* vnmrsys/maclib/gnoesyCaliCaroNhsqc | |||
Changes as compared to <tt>gnoesyCNhsqc</tt> and <tt>cnnoesy</tt>: | Changes as compared to <tt>gnoesyCNhsqc</tt> and <tt>cnnoesy</tt>: | ||
*sw2N is the spectral width for 15N. Should be different from sw2 (13C) | |||
* | *13C/15N t1 initial evolution is half-dwell only. The program will abort if <tt>f2180</tt> is not set to <tt>'y'</tt>. For testing purposes the initial evolution delay is set to a minimum if <tt>ni2=0</tt>. | ||
* | *Only adiabatic 13C inversion pulses are used. You can choose either <tt>stC140</tt> or <tt>stC200</tt>. Composite inversion pulses are disabled. | ||
* <tt> | *Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used. | ||
*Indirect 1H evolution modified to get correct initial points. Backward linear prediction is no longer required. | |||
*15N inversion pulse changed to 90-180-90 composite. This should improve broadband performance at high fields, increasing the intensity of HE/NE strips of Arg, for example. | |||
*<tt>jnh</tt> parameter is introduced for 1J_NH coupling constant. The INEPT delays are now determined by <tt>jnh</tt> instead of <tt>jch</tt>. | |||
*<tt>jch</tt> is used to shift the 13C inversion pulses. The typical values are <tt>jnh=110 jch=155</tt>. | |||
*Added a <tt>flipN</tt> flag. Setting <tt>flipN='y'</tt> will invert the sign of 15N peaks. | |||
*Phase cycling is optimized for better axial peak and water suppression. | |||
*SEDUCE decoupling on carbonyls is not used, since it yield only small sensitivity gains while leading to significant resonance shifts. | |||
Installation: | |||
*Save the <tt>gnoesyCaliCaroNhsqc.tar</tt> file into VnmrJ user home directory (e.g. <tt>/home/vnmr1</tt>). | |||
*Extract with <tt>tar xvf gnoesyCaliCaroNhsqc.tar</tt> - existing files will be overwritten! | |||
*<tt>cd</tt> to <tt>~/vnmrsys/psglib/</tt> directory and compile the pulse program by typing <tt>seqgen gnoesyCaliCaroNhsqc.c</tt> | |||
Usage: | |||
*In VnmrJ run <tt>gnoesyCaliCaroNhsqc</tt> script to setup experiment | |||
*Record a 2D H-C/N plane first and optimize <tt>sw2</tt>, <tt>sw2N</tt>, <tt>dof</tt> and <tt>dof2</tt>, if necessary. Run <tt>calfa</tt> to find the optimal <tt>rof2</tt> and <tt>alfa</tt>, acheiving zero first-order phase correction. | |||
*Set the desired mixing time, <tt>mix</tt>. | |||
*Use at least <tt>nt=4</tt> for 3D acquisition, for best results use <tt>nt=8</tt>. The first two-step phase cycle suppresses axial peaks in the 13C/15N dimension, which is needed since 13C dimension is usually folded 3 times. The second two-step phase cycle suppresses axial peaks in the indirect 1H dimension. The third two-step phase cycle provides additional water suppression. | |||
<br> | |||
-- Main.AlexEletski - 26 Oct 2007 | -- Main.AlexEletski - 26 Oct 2007 | ||
Latest revision as of 15:51, 15 December 2009
Simultaneous 15N-, 13C(ali)-, 13C(aro)-resolved [1H,1H] NOESY
Modified from BioPack gnoesyCNhsqc.c by Main.AlexEletski, similar to the previous cnnoesy.c sequences by Youlin Xia and H. Atreya.
Requires pre-installed BioPack. BioPack power limits should be enabled on systems with cryogenic probes, otherwise wurst140 decoupling power is too high.
Make sure that 13C wurst decoupling power is 1 dB lower than the max rated decoupling power for the probe (wurst shape average is 80% of the max). 15N garp decoupling power must be 3 dB lower than the max rating.
- gnoesyCaliCaroNhsqc.tar: simNOESY package - tested with VnmrJ 2.1B
Contents:
- vnmrsys/psglib/gnoesyCaliCaroNhsqc.c
- vnmrsys/parlib/gnoesyCaliCaroNhsqc.par/
- vnmrsys/manual/gnoesyCaliCaroNhsqc
- vnmrsys/templates/layout/gnoesyCaliCaroNhsqc/
- vnmrsys/maclib/gnoesyCaliCaroNhsqc
Changes as compared to gnoesyCNhsqc and cnnoesy:
- sw2N is the spectral width for 15N. Should be different from sw2 (13C)
- 13C/15N t1 initial evolution is half-dwell only. The program will abort if f2180 is not set to 'y'. For testing purposes the initial evolution delay is set to a minimum if ni2=0.
- Only adiabatic 13C inversion pulses are used. You can choose either stC140 or stC200. Composite inversion pulses are disabled.
- Simultaneous high power pulses on 13C and 15N are avoided, therefore, peak power can be used.
- Indirect 1H evolution modified to get correct initial points. Backward linear prediction is no longer required.
- 15N inversion pulse changed to 90-180-90 composite. This should improve broadband performance at high fields, increasing the intensity of HE/NE strips of Arg, for example.
- jnh parameter is introduced for 1J_NH coupling constant. The INEPT delays are now determined by jnh instead of jch.
- jch is used to shift the 13C inversion pulses. The typical values are jnh=110 jch=155.
- Added a flipN flag. Setting flipN='y' will invert the sign of 15N peaks.
- Phase cycling is optimized for better axial peak and water suppression.
- SEDUCE decoupling on carbonyls is not used, since it yield only small sensitivity gains while leading to significant resonance shifts.
Installation:
- Save the gnoesyCaliCaroNhsqc.tar file into VnmrJ user home directory (e.g. /home/vnmr1).
- Extract with tar xvf gnoesyCaliCaroNhsqc.tar - existing files will be overwritten!
- cd to ~/vnmrsys/psglib/ directory and compile the pulse program by typing seqgen gnoesyCaliCaroNhsqc.c
Usage:
- In VnmrJ run gnoesyCaliCaroNhsqc script to setup experiment
- Record a 2D H-C/N plane first and optimize sw2, sw2N, dof and dof2, if necessary. Run calfa to find the optimal rof2 and alfa, acheiving zero first-order phase correction.
- Set the desired mixing time, mix.
- Use at least nt=4 for 3D acquisition, for best results use nt=8. The first two-step phase cycle suppresses axial peaks in the 13C/15N dimension, which is needed since 13C dimension is usually folded 3 times. The second two-step phase cycle suppresses axial peaks in the indirect 1H dimension. The third two-step phase cycle provides additional water suppression.
-- Main.AlexEletski - 26 Oct 2007