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13Cm_CEST_B1cal.cw
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13Cm_CEST_B1cal.cw
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;13C methyl CEST
;B1 calibration
;
;based on
;Bouvignies, G. & Kay, L. E.
;J. Biomol. NMR 53, 303â310 (2012).
;
;Adjusted delays for zero first-order phase correction
;
;sequence adapted from hsqcetgp.jk
;avance-version (07/04/04)
;HSQC
;2D H-1/X correlation via double inept transfer
;phase sensitive using Echo/Antiecho-TPPI gradient selection
;with decoupling during acquisition
;using trim pulses in inept transfer
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
"d18=1u"
"in18=inf1" ; nutation time increment
"l3=td1"
"p2=p1*2"
"p4=p3*2"
"d4=1s/(cnst2*4)"
"d5=1.216m" ; optimal tau_b transfer time
"d6=784u" ; optimal tau_c transfer time
"d11=30m"
"d12=20u"
"d13=4u"
"spoff1=cnst21-o1"
"DELTA=d4-p16-d16-larger(p1,p3)-0.6366*p1"
"DELTA1=d5-p19-d16-larger(p1,p3)-0.6366*p3"
"DELTA2=d6-p19-d16-larger(p1,p3)-0.6366*p3"
;"DELTA3=d4-p19-d16-p10-p1-4u-0.6366*p1"
;"DELTA4=d4-p19-d16-p10-p1-12u-de"
"DELTA3=d4-p19-d16-p1-4u-0.6366*p1"
"DELTA4=d4-p19-d16-p1-12u-de"
"acqt0=0"
1 ze
d11 pl1:f1 pl12:f2
2 d11 do:f2
d11
60u
3 90u
4 60u
5 10u
10u pl1:f1
; purge any 1H magnetisation following acquisition
50u UNBLKGRAD
p16:gp0
d16
(p1 ph1)
4u
p16:gp0*0.71
d16
4u BLKGRAD
; off-resonance presat
30u pl9:f1
30u fq=cnst21(bf hz):f1
d1 cw:f1 ph1
30u do:f1
30u pl1:f1
30u fq=0:f1
; purge equilibrium 13C
30u UNBLKGRAD
4u pl2:f2
(p3 ph1):f2
p16:gp0
d16
; begin main sequence
(p1 ph1)
p16:gp1
d16
DELTA
(center (p2 ph1) (p4 ph1):f2 )
DELTA
p16:gp1
d16
(p1 ph2)
; zz purge
p16:gp2
d16
(p3 ph11):f2
p19:gp3
d16
DELTA1
(center (p2 ph1) (p4 ph1):f2 )
DELTA1
p19:gp3
d16
(p3 ph2):f2
(p1 ph1)
4u
p16:gp4
d16
; CEST period
10u
10u pl8:f1 pl18:f2
10u LOCKH_ON
10u fq=cnst18(bf ppm):f2
d18 cpds1:f1 cw:f2 ph1
10u do:f1 do:f2
10u LOCKH_OFF
10u fq=0:f2
10u
5u pl1:f1 pl2:f2
5u
p16:gp5 ; cleaning gradient
d16
; first back transfer
(p3 ph12):f2
p19:gp6
d16
DELTA2
(center (p2 ph1) (p4 ph1):f2 )
DELTA2
p19:gp6
d16
(p3 ph2):f2
; zz purge
p16:gp7
d16
; final inept
(p1 ph1)
p19:gp8
d16
DELTA3
;(p10:sp1 ph3):f1
4u
(center (p2 ph1) (p4 ph1):f2 )
4u
;(p10:sp1 ph3):f1
DELTA4
p19:gp8
d16
4u BLKGRAD
4u pl12:f2
go=2 ph31 cpd2:f2
d11 do:f2
d11 wr #0 if #0 zd
; nutation time increment
30u id18
lo to 5 times l3
1m do:f2
1m BLKGRAD
exit
ph1=0
ph2=1
ph3=2
ph4=3
ph11=0 2
ph12=0 0 2 2
ph31=0 2 2 0
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling
;p1 : f1 channel - 90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel - 90 degree high power pulse
;p4 : f2 channel - 180 degree high power pulse
;p10 : f1 channel - 90 degree selective pulse [1000 usec]
;sp1 : f1 channel - 90 degree WFB (p10)
;p16: homospoil/gradient pulse [1000 usec]
;p19: second homospoil/gradient pulse [300 usec]
;p22: f3 channel - 180 degree high power pulse
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J)XH
;d11: delay for disk I/O [30 msec]
;d13: short delay [4 usec]
;d16: delay for homospoil/gradient recovery
;cnst2: = J(XH)
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 1 * n
;DS: >= 16
;td1: number of experiments
;FnMODE: states-tppi
;pcpd1: 1H 90 for CPD (4.5 kHz at 900 MHz = 55.5 us)
;pl8: 1H decoupling power (4.5 kHz at 900 MHz = 55.5 us)
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
;CPDPRG2: waltz16
;d18: relaxation time
;pl18: 13C CEST saturation power
;l6: number of CEST frequencies (including reference) (td1)
;l3: number of complex points (td2 / 2)
;gradients
;p16: 1000u
;p19: 300u
;
;gpz0: 15%
;gpz1: 10%
;gpz2: 24%
;gpz3: -16% [p19]
;gpz4: -32%
;gpz5: 14%
;gpz6: -24% [p19]
;gpz7: 5%
;gpz8: 30% [p19]
;use gradient files:
;gpnam0: SMSQ10.100
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SINE.10
;gpnam4: SMSQ10.100
;gpnam5: SMSQ10.100
;gpnam6: SINE.10
;gpnam7: SMSQ10.100
;gpnam8: SINE.10
;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with
; option -DLABEL_CN (eda: ZGOPTNS)
;preprocessor-flags-end
;$Id: hsqcetgp,v 1.4 2007/04/11 13:34:30 ber Exp $