Gradient TOCSY

Sheng Zhong (sheng@med.unc.edu)
Wed, 8 Mar 95 13:01:18 EST

Hi, Dr. Kakalis, Wollenberg, and Russell Mortishire-Smith and ...,

I am going to put the sequence to the net due to the interests
of a few groups.

We have the 3 axis gradient prob on AMX. You may have
to make some small changes (including pulse sequence)
acording to your NMR set up.

Good luck

Dr Sheng Zhong
Dept of Biochem & Biophys
UNC at Chapel Hill

sheng@med.unc.edu
============================================

;amx-version
;homonuclear Hartman-Hahn transfer using MLEV17 sequence
; for mixing
;using two power levels for excitation and spinlock
;phase sensitive using States-TPPI method
;A. Bax & D.G. Davis, J. Magn. Reson. 65, 355-360 (1985)
;water suppression using 3-9-19 pulse sequence with gradients
;for shaped gradients using gradient waveform memory
;M. Piotto, V. Saudek & V. Sklenar, J. Biomol. NMR 2, 661 - 666 (1992)
;V. Sklenar, M. Piotto, R. Leppik $ V. Saudek, J. Magn. Reson.,
; Series A 102, 241 -245 (1993)

p5=p6*.667
p7=p6*2
d0=3u
d11=30m
d12=20u
d13=4u

d27=p16/l21-2u
l3=(td1*.5)

1 ze
d11
2 d1
3 d11
4 d12 thi hl1
p1 ph1
d13
d0
d12 hl3
(p17 ph26)
5 (p6 ph22 p7 ph23 p6 ph22)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph22 p7 ph23 p6 ph22)
(p6 ph24 p7 ph25 p6 ph24)
(p6 ph24 p7 ph25 p6 ph24)
(p5 ph23)
lo to 5 times l1
(p17 ph26)
d13
d12
10 2u:ngrad
d27
lo to 10 times l21
2u:ngrad
d16
p28*0.231 ph4
d19*2
p28*0.692 ph4
d19*2
p28*1.462 ph4
d19*2
p28*1.462 ph5
d19*2
p28*0.692 ph5
d19*2
p0*0.231 ph5
11 2u:ngrad
d27
lo to 11 times l21
2u:ngrad
d16
go=2 ph31
d1 wr #0 if #0 ip1 zd
lo to 3 times 2
d11 id0
lo to 4 times l3
exit

ph1=0 2
ph4=0 0 1 1 2 2 3 3
ph5=2 2 3 3 0 0 1 1
ph22=3
ph23=0
ph24=1
ph25=2
ph26=0
ph31=0 2 2 0 0 2 2 0

;hl1: ecoupler high power level
;hl3: ecoupler low power level for MLEV spinlock
;tl0: power level for tlo mode [10 dB]
;p0 : 90 degree transmitter low power pulse (tlo)
; use for fine adjustment
;p1 : 90 degree transmitter high power pulse
;p5 : 60 degree transmitter low power pulse
;p6 : 90 degree transmitter low power pulse
;p7 : 180 degree transmitter low power pulse
;p16: homospoil/gradient pulse
;p17: trim pulse [2.5 msec]
;p28: 90 degree transmitter low power pulse (tlo)
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d13: short delay (e.g. to compensate delay line) [3 usec]
;d16: delay for homospoil/gradient recovery
;d19: delay for binomial water suppression
; d19 = (1/(2*d)), d = distance of next null (in Hz)
;d27: delay for shaped gradient
;L1: loop for MLEV cycle: (((p6*64) + p5) * l1) + (p17*2) = mixing time
;L3: loop for phase sensitive 2D using States-TPPI method: l3 = td1/2
;L21: loop for shaped gradients
;in0: 1/(1 * SW) = 2 * DW
;nd0: 1
;NS: 2 * n
;DS: 4
;td1: number of experiments
;MC2: States-TPPI
;use gradient ratio 1 : 1

=========================================

Use GRADSHAPES to set up shaped gradient

Please put the cag_par, sztocsh.p, sztocsh.r and sztocsh.s in
the directory /u/exp/stan/nmr/lists/gp

(Next file:cag_par)

1.0
1.0
1.0
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0

(Next file: sztocsh.p)

{
(0), sine_0.64 ( 0.000000 )
}
(0)
loop l21 <2d>
{
(0), sine_0.64 (0.000000 )
}
(0)

(Next file: sztocsh.r)

{
(0), sine_0.64 ( 80.000000 )
}
(0)
loop l21 <2d>
{
(0), sine_0.64 ( 80.000000 )
}
(0)

(Next file: sztocsh.s)
{
(0), sine_0.64 ( 80.000000 )
}
(0)
loop l21 <2d>
{
(0), sine_0.64 ( 80.000000 )
}
(0)

============
Here is acqus
============
##TITLE= Parameter file, UXNMR Version 920501.6
##JCAMPDX= 5.0
##DATATYPE= UXNMR Parameter Values
##ORIGIN= UXNMR, Bruker Analytische Messtechnik GmbH
##OWNER= root
##$AQ_mod= 1
##$AUNM= <au_zg>
##$BF1= 500.13
##$BF2= 500.13
##$BF3= 50.68
##$BF4= 500.13
##$BYTORDA= 0
##$CNST= (0..31)
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
##$CPDPRG= <>
##$CPDPRGB= <>
##$CPDPRGT= <>
##$D= (0..31)
3e-06 1 0 0 0 2e-05 0 0 0.1 0 0 0.03 2e-05 4e-06 0 0 0.0005 0 0 0.00015
0 0 0 0 0 0 0 1.3625e-05 0 0 0 0
##$DATE= 794116976
##$DBL= (0..7)
120 120 120 120 120 120 120 120
##$DBP= (0..7)
150 150 150 150 150 150 150 150
##$DBP07= 0
##$DBPNAM0= <>
##$DBPNAM1= <>
##$DBPNAM2= <>
##$DBPNAM3= <>
##$DBPNAM4= <>
##$DBPNAM5= <>
##$DBPNAM6= <>
##$DBPNAM7= <>
##$DBPOFFS= (0..7)
0 0 0 0 0 0 0 0
##$DE= 108.8
##$DECBNUC= <off>
##$DECNUC= <off>
##$DECSTAT= 4
##$DIGTYP= 1
##$DL= (0..7)
120 120 120 120 120 120 120 120
##$DP= (0..7)
150 150 150 150 150 150 150 150
##$DP07= 0
##$DPNAME0= <>
##$DPNAME1= <>
##$DPNAME2= <>
##$DPNAME3= <>
##$DPNAME4= <>
##$DPNAME5= <>
##$DPNAME6= <>
##$DPNAME7= <>
##$DPOFFS= (0..7)
0 0 0 0 0 0 0 0
##$DR= 16
##$DS= 16
##$DSLIST= <SSSSSSSSSSSSSSS>
##$DTYPA= 0
##$EXP= <>
##$F1LIST= <111111111111111>
##$F2LIST= <222222222222222>
##$F3LIST= <333333333333333>
##$FL1= 90
##$FL2= 90
##$FL3= 90
##$FL4= 90
##$FOV= 20
##$FS= (0..7)
83 83 83 83 83 83 83 83
##$FW= 7400
##$GRDPROG= <sz.grdtocsy>
##$HL1= 1
##$HL2= 60
##$HL3= 6
##$HL4= 17
##$IN= (0..31)
0.00013600000478125 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001
##$INP= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
##$INSTRUM= <amx500>
##$L= (0..31)
256 11 1 256 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64 64 64 1 1 1 1 1 1
1 194
##$LOCNUC= <2H>
##$NBL= 1
##$NC= 0
##$NS= 72
##$NUCLEUS= <1H>
##$O1= 9032.82892016602
##$O2= 4450.00000001983
##$O3= 4449.99999999851
##$O4= 0
##$P= (0..31)
10 10 0 0 0 11.8059 17.7 35.4 0 0 0 0 0 0 0 0 1000 2000 1300000 0 26 0
0 0 0 0 0 0 10 0 0 0
##$PAPS= 2
##$PARMODE= 1
##$PHCOR= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
##$PHP= 1
##$PH_ref= 0
##$POWMOD= 0
##$PR= 1
##$PRGAIN= 0
##$PROBHD= < 5 mm Multinuclear inverse>
##$PULPROG= <sz.grdsttoc>
##$PW= 0
##$QNP= 1
##$QS= (0..7)83 83 83 83 83 83 18 26
##$QSB= (0..7)83 83 83 83 83 83 83 83
##$RD= 0
##$RG= 4096
##$RO= 20
##$ROUTWD1= (0..23)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0
##$ROUTWD2= (0..23)
0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0
##$S= (0..7)
83 4 83 83 83 83 83 83
##$SEOUT= 0
##$SFO1= 500.13903282892
##$SFO2= 500.147121064214
##$SFO3= 50.68445
##$SFO4= 500.13
##$SOLVENT= <CDCl3>
##$SP= 1
##$SW= 14.7017943861961
##$SW_h= 7352.94117647059
##$TD= 2048
##$TE= 300
##$TL= (0..7)
120 120 120 120 120 120 120 120
##$TP= (0..7)
150 150 150 150 150 150 150 150
##$TP07= 0
##$TPNAME0= <>
##$TPNAME1= <>
##$TPNAME2= <>
##$TPNAME3= <>
##$TPNAME4= <>
##$TPNAME5= <>
##$TPNAME6= <>
##$TPNAME7= <>
##$TPOFFS= (0..7)
0 0 0 0 0 0 0 0
##$V9= 5
##$VCLIST= <CCCCCCCCCCCCCCC>
##$VD= 0
##$VDLIST= <preemp>
##$VPLIST= <PPPPPPPPPPPP0
##$YMIN_a= 0
##END=