PULSE PROGRAM CA T ALOGUE: I. 1D & 2D NMR EXPERIMENTS Teodor Parella Servei RMN, Universitat Autònoma de Barcelona E-mail: [email protected] TOPSPIN v2.0 NMRGuide UAB
PULSE PROGRAM CATALOGUE:
I. 1D & 2D NMR EXPERIMENTS
Teodor Parella Servei RMN, Universitat Autònoma de Barcelona
E-mail: [email protected]
TOPSPIN v2.0 NMRGuide
UAB
Copyright (C) 2006 by Bruker BioSpin GmbH
All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form, or by any means without the prior consent of the publisher.
03-03-2006 Part Number --------
Product names used are trademarks or registered trademarks of their respective holders.
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
VOLUME I: 1D & 2D NMR EXPERIMENTS
• Table of Contents.................................................................................................. 1-2
• Introduction............................................................................................................. 3-6
• Standard Pulse Schemes 1. Basic 1D pulse sequences............................................................................ 7 2. T1 & T2 Relaxation..................................................................................... 13 3. Selective Excitation & Selective 1D Experiments..................................... 15 4. 1D Solvent suppression............................................................................... 21
Presaturation Jump and Return Watergate Excitation Sculpting WET
5. 19F specific experiments............................................................................. 27 6. 2H specific experiments.............................................................................. 29 7. Basic 1D Gradients...................................................................................... 31
• Homonuclear Experiments 8. 2D COSY.................................................................................................... 33 9. 2D COSY-DQF........................................................................................... 37 10. 2D SECSY.................................................................................................. 41 11. 2D RELAY................................................................................................. 43 12. 2D TOCSY ................................................................................................ 47 13. 2D ROESY ................................................................................................ 53 14. 2D NOESY ................................................................................................ 57 15. 1D & 2D Double-Quantum........................................................................ 63 16. 2D J-Resolved .......................................................................................... 67
• Heteronuclear 1D & 2D X-detected experiments 17. Decoupler Pulse Calibration....................................................................... 69 18. 1D DEPT & INEPT..................................................................................... 73 19. 2D HETCOR.............................................................................................. 81 20. 2D COLOC................................................................................................. 87 21. 2D Heteronuclear J-resolved....................................................................... 89 22. 2D HOESY.................................................................................................. 91 23. 1D & 2D INADEQUATE........................................................................... 93
• 2D Inverse Experiments 24. Basic 1D Inverse........................................................................................ 97
Direct 2D Correlations 25. HMQC........................................................................................................ 101 26. DEPT-HMQC............................................................................................. 111 27. HSQC.......................................................................................................... 113 28. Multiplicity-edited HSQC........................................................................... 127 29. Constant-time correlations.......................................................................... 133
CT-HSQC CT-HMQC
30. Inverse-INEPT. ............................................................................................ 137 31. Spin-edited HSQC for 1J(XH) determination............................................. 139
2D HSQC-α,β 2D IPAP-HSQC 2D J-modulated CT-HSQC
32. TROSY ...................................................................................................... 145 33. CRINEPT.................................................................................................... 151
2D HMQC hybrids 34. HMQC-COSY............................................................................................. 153
H2BC.......................................................................................... 35. HMQC-TOCSY........................................................................................... 157
© 2006 BRUKER Biospin, Teodor Parella. 1
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
36. HMQC-ROESY........................................................................................... 163 37. HMQC-NOESY........................................................................................... 167
2D HSQC hybrids 38. HSQC-TOCSY .......................................................................................... 171 39. HSQC-ROESY .......................................................................................... 179 40. HSQC-NOESY .......................................................................................... 183
2D Long-Range Correlations 41. HMBC ....................................................................................................... 187 42. Measurement of long-range proton-carbon coupling constants ................ 193
Phase-sensitive HMBC CT-HMBC J-HMBC Long-range HSQC (HSQMBC) EXSIDE HETLOC HSQC-HECADE
43. ADEQUATE ............................................................................................. 201 1,1-ADEQUATE 1,n-ADEQUATE n,1-ADEQUATE n,n-ADEQUATE
• Miscellaneous Experiments 44. 1D, 2D & 3D Diffusion/DOSY.................................................................. 207
STE STEBP DSTE DSTEBP LED LEDBP DOSY-COSY DOSY-TOCSY DOSY-NOESY
45. 1D & 2D Saturation Transfer Difference (STD)........................................ 213 STD-TOCSY STD-NOESY STD-HSQC
46. 1D & 2D Experiments using CLEANEX................................................... 223 CLEANEX-HSQC CLEANEX-TROSY
47. 1D & 2D LC-NMR Experiments............................................................... 227 48. Basic Solid-State NMR Experiments.......................................................... 235
• Appendix 1. Pulse Program Info...................................................................... 237
• Appendix 2. Pulse Program Parameters .................................................... 241
• Appendix 3. Relations with edprosol/getprosol ....................................... 246
VOLUME II: BIOMOLECULAR NMR EXPERIMENTS....................... 250
© 2006 BRUKER Biospin, Teodor Parella. 2
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER Pulse Program
Catalogue
written by Teodor Parella
This catalogue presents the pulse sequence diagram for all standard pulse programs included in TOPSPIN v2.0. This information is part of NMRGuide 4.1, also available for BRUKER AVANCE spectrometers.
These pulse programs are located in the
/TOPSPINHOME/pp/stan/nmr/lists/pp
directory after conventional installation using expinstall and they can be visualized directly into the TOPSPIN program from the PulsProg section. Otherwhise, alternative pulse program sequence representation is also available using the showpp program.
For more details on pulse programs, parameter sets, tutorials, experiment descriptions, bibliographic references and other related information, please refer to the electronic version of NMRGuide 4.1.
©2006: Bruker BioSpin , Teodor Parella 3
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X-detected In.vuse from f2 clwmel from f3 clwmel
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X-de d Inverse Inverse & Gradients Miscellan.eous
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3D Experiments 3D Miscellaneous Miscellaneous Include Files
Triple-Resonance Backbone Backbone-Si4e chain 2H-decoupled Backbone Backbone-Side chain lROSY Backbone Backbone-Si4e cllain. 2H-decoupled
Homonw:lear Double-Resonance from f2 ch.ann.el from G ch.ann.el 3DNOE X-fi.Jared/ecllied Coupling Constants Couplillg CoJtStan.ts
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Step 1: Is the Specn·o•neter Ready? Step 2: Preliminary Set-up Step 3: Data Acquisition (eda)
Installation & Configuration (cf & expinstall) About Sample Preparation Create a new file (edc) Tests & Calibrations (edprosol) Insert the sample (ij/ej) Read Parameter Set (rpar ...) Defining the probe (edbead) Select the solvent (lock) Set Pulses (getprosol)
Tuning & Matching ... (wobb) ModifY parameters (ased) Shirnrrllng ... (rsh ...) Start Acquisition (rga & zg)
Step 4: Data Processing (edp)
Transforming the data (ft, xfb ...) Phase correction (apk) Baseline correction (abs) Plot (edg, xwi.nplot)
Step 5: Automation ...
Using macros ... (edmac) Using icomum·...(Biotool) buttomum·& butsehunr AU Programs (xau)
Step 6: Deciding what to do?
Which experiments can I do ...
Starting Parameter Set... Routine IDAR experiments
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©2006: Bruker BioSpin , Teodor Parella 6
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
BASIC 1D PULSE SEQUENCES
©2006: Bruker BioSpin , Teodor Parella 7
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Standard Experiments:
Conventional 1H spectrum (zg30 / zg / zg0 | PROTON) Acquired as 2D (zg2d)
1D 1H Homodecoupling (zg0hd / zghd / zghd.2 | PROHOMODEC) 1D 1H Band-selective homodecoupling (zghc / zghc.2) NOEDIFF experiment:
Single irradiation (zgf2pr) Using frequency list (noediff / noediff.2 / noedif.2 | NOEDIFF) Irradiation multiplet frequencies within one multiplet (noemul)
13C spectrum with selective 1H decoupling using CW (zgcw30 / zgcw / zg0cw) 1H-decoupled 13C spectrum (zgdc30 / zgdc / zg0dc | C13CPD) 1H-coupled 13C spectrum (zggd30 / zggd / zg0gd | C13GD) 1H-decoupled 13C spectrum without NOE (zgig30 / zgig / zg0ig | C13IG) 1H,31P-decoupled 13C spectrum without NOE (zgfbig)
Antiring sequence (aring, aring2) 1D sequence for suppression of background signals using composite pulse (zgbs)
• Examples:
31P-decoupled 1D 1H spectrum (zgig30 / zgig | PROP31DEC) 11B-decoupled 1D 1H spectrum (zgig30 / zgig | PROB11DEC)
1H-decoupled 15N spectrum without NOE (zgig / zgf3ig | N15IG) 1H-coupled 15N spectrum without NOE (zg | N15) 1H-decoupled 31P spectrum (zgpg30 | P31CPD) 1H-coupled 31P spectrum (zg30 | P31)
• Standard BRUKER parameter sets available for other nuclei:
1D 11B spectrum ( zg | B11ZG) 1D 17O spectrum (zg | O17ZG) 1D 23Na spectrum (zg | NA23ZG) 1D 27Al spectrum (zg | AL27ND) 1D 1H-decoupled 29Si spectrum (zgig | Si29IG) 1D 35Cl spectrum (zg | CL35ZG) 1D 37Cl spectrum (zg | CL37ZG) 1D 71Ga spectrum (zg | GA71ZG) 1D 71Ga spectrum (zg | SE77ZG) 1D 103Rh spectrum (zg | RH103ZG) 1D 111Cd spectrum (zg | CD111ZG) 1D 113Cd spectrum (zg | CD113ZG) 1D 1H-decoupled 119Sn spectrum (zgig | SN119IG) 1D 195Pt spectrum (zg | PT195ZG) 1D 199Hg spectrum (zgpg | HG199CPD)
©2006: Bruker BioSpin , Teodor Parella 8
I
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zg zgadc zg2d
p1
d1
I
zg0 zg30 º 30º
d1
d1 I
p1 d1 is pre-scan delay p1 is read pulse aq is acquisition time td is time domain dw is dwell time
d1 ns is number of scans
aq=td*dw=td/(2*sw)
ns
©2006: Bruker BioSpin , Teodor Parella 9
d1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zghc zghc.2 zghd.2 zghd zg0hd
zgadchd
p1 º
d1
I I I d1
S Homodecoupling pl24
S Homodecoupling pl24
S Homodecoupling
pl24
d1=3 pl24=40 o2p=1.29(H-13) pulprog=zghd.2
4.3 4.2 4.1 4.0 3.9 3.8 ppm
zgcw
p1
d1
I
zg0cw
º
d1
I
zgcw30
30º
d1
I
S CW S CW S
pl26 pl26 CW
pl26
noedif.2 noemul
noediff noediff.2
1H d20
CW at pl14 on / off reson.
1H
Also see: solvent suppression (zgf2pr)
©2006: Bruker BioSpin , Teodor Parella 10
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zgpg pl13 - pl12 zg0pg pl13 - pl12 zgpg30 pl13 - pl12
zgdc
p1
zg0dc zgdc30 º 30º
d1 d1 d1
I I I
S CPD S CPD S CPD
pl12 pl12 pl12
zggd
p1
zg0gd zggd30
º
d1 d1
I I
30º
d1 I
S CPD S CPD
S CPD
pl12 pl12 pl12
zgf3ig zgig p1
d1
I
pl16
zg0ig
º
d1
I
zgig30
30º
d1
I
S CPD S CPD S CPD pl12 pl12 pl12
zgfbig
p1
d1
I
f2 channel
f3 channel
S CPD
pl12
Y CPD
pl16
©2006: Bruker BioSpin , Teodor Parella 11
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zgbs
90º 90º 90º
d1 I
rec
1 3 2
aring
I d1
-x
d13 d13
<Irec
I d1
aring2
d1
-x
d13
©2006: Bruker BioSpin , Teodor Parella 12
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
T1 & T2 RELAXATION
©2006: Bruker BioSpin , Teodor Parella 13
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1H T2 measurements As 1D acquisition (cpmg1d) As 2D acquisition (cpmg) As 1D acquisition with presaturation (cpmgpr1d)
1H T1 measurements: As 1D acquisition (t1ir1d) As 2D acquisition (t1ir || PROTONT1)
T1 13C measurements (t1irpg)
Also see: 2D HSQC for Backbone Dynamics
I d1
t1ir1d
180º 90º
d7
t1ir
180º 90º I
I d1 vd
S
t1irpg
CPD
pl13 - pl12 180º 90º
d1 vd
Iz=I0(1-2exp(-d7/T1)
ln(I0-Iz)=ln(2I0)-d7/T1
tnull=T1*ln2
cpmg cpmg1d cpmgpr1d
d1 d20 d20 I
lloooopp cc ttiimmeess
d1 d20 d20 I
loop l4 times
d1 I presat
pl9
d20 d20 loop l4 times
©2006: Bruker BioSpin , Teodor Parella 14
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
SELECTIVE EXCITATION & SELECTIVE 1D EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 15
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Phase-Cycled:
Using a shaped 90º pulse (selzg | SELZG1H)
Selective 1D COSY experiment (selco | SELCO1H) Selective 1D RELAY experiment (selcorl) Selective 1D TOCSY experiment (selmlzf | SELMLZF1H) Selective 1D NOESY experiment (selno | SELNO1H) Selective 1D ROESY experiment (selro | SELRO1H)
• Gradient-based:
Using selective pulsed-field-gradient spin-echo or SPFGE (selgpse | SELGPSE)
Selective ge-1D COSY experiment (selcogp | SELCOGP) Selective ge-1D TOCSY experiment:
using MLEV (selmlgp | SELMLGP) using MLEV With ZQ suppression (selmlgp.2) using DIPSI-2 (seldigp)
Selective ge-1D NOESY experiment (selnogp | SELNOGP) Selective ge-1D ROESY experiment (selrogp | SELROGP) Selective ge-1D T-ROESY experiment (selrogp.2)
• 13C Selective:
13C Selective excitation using a shaped 90º pulse (selzgpg)
Selective 1D X-X COSY experiment (selcopg) Selective 1D INADEQUATE experiment (selina)
• Miscellaneous:
2-2-6-2-2 DANTE-z scheme (dazzg) 3-6-3 DANTE-z scheme (daz363zg) 1-1 DANTE-z scheme (daz11zg)
©2006: Bruker BioSpin , Teodor Parella 16
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
selzg
90º
selective
I d1
pp1111 sp1
selco
selcorl
90º selective
90º selective
y y
I d1 d14
pp1111 sp1
I d1 d14 d20 d20
pp1111 sp1
selmlzf
90º selective
I d1 d14
pp1111 sp1
d9
MLEV-17 vd
p6 pl10
selro selno
90º selective
I d1 d14
pp1111 sp1
p15 pl11 CW
90º selective
I d1 d14 vd
pp1111 sp1
©2006: Bruker BioSpin , Teodor Parella 17
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
selgpse
180º selective
I d1
Gz
pp1122 sp2
selcogp
G1 G1 selnogp
180º
selective y 180º
selective
I d1
Gz
d4 d4
pp1122 sp2
I d1
Gz
pp1122 sp2
d8
-G2
G1 G1
G1 G1 G2
I d1
Gz
180º selective
pp1122 sp2
selmlgp
d9
MLEV-17
p6 pl10
I d1
Gz
180º selective
pp1122 sp2
selmlgp.2
d9
MLEV-17
p6 pl10
G1 G1 G1 G1 G2
seldigp
I d1
Gz
180º
selective
pp1122 sp2
d20
d9
DIPSI-2
p6 pl10
d21
G1 G1
selrogp
selrogp.2
I d1
180º selective
p15 pl11
I d1
180º selective
x
p25 pl27
x x x x
pp1122 CW sp2
Gz
G1 G1
pp1122 sp2
Gz
G1
-x -x -x -x -x T-ROESY
G1
©2006: Bruker BioSpin , Teodor Parella 18
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Pulse Program Catalogue NMRGuide 4.1- Topspin 2.0
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Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
selzgpg
S
I d1
CPD
pl12-pl13 90º
selective
pp1111 sp1
selcopg
S
90º selective
y
CPD
pl12-pl13
I d1 d14
pp1111 sp1
selina
1H CPD pl12
90º
13C d1
d4 d4
selective
pp1111 sp1
I d1
dazzg
daz11zg
daz363zg
º º 90º 0
DZ_TAU3 DZ_TAU3 2
0 0 0 2
loop
©2006: Bruker BioSpin , Teodor Parella 20
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D SOLVENT SUPPRESSION
©2006: Bruker BioSpin , Teodor Parella 21
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1D Solvent suppression
Classical:
1D water presaturation: Conventional (zgpr / zg0pr | ZGPR) Using composite pulses (zgcppr | ZGCPPR) Using spoil gradient (zggppr ) Using composite pulse and spoil gradient (zgcpgppr ) From f2 channel (zgf2pr / zg0f2pr) Using shaped pulse for off-resonance presaturation (zgps)
Jump and return:
1-1 scheme (p11) 1-3-3-1 scheme (p1331)
Gradient-based:
1D WATERGATE: Using 3-9-19 scheme (p3919gp | P3919GP) Using 3-9-19 and flip back pulse (p3919fpgp) Using 90º water-selective pulses (zggpwg | ZGGPWG)
1D Excitation Sculpting: Using 180º water-selective pulses (zgesgp) Using 180º water-selective and flip back pulse (zgesfpgp) Using W5 pulse train (zggpw5)
1D WET scheme: Conventional (wet) With 13C decoupling on f2 during WET and AQ (wetdc | LC1DWTDC) With 13C decoupling on f2 during WET (wetdw)
Related Experiments:
o All these 1D experiments can be incorporated in any multidimensional NMR
experiment. Please refer to each chapter to check the different possibilities for 2D and 3D solvent-suppressed experiments
o LC-NMR Experiments
©2006: Bruker BioSpin , Teodor Parella 22
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zgpr zg0pr
p1 º
d1 I presat
pl9
d1
I presat pl9
zgps zgcppr
p1
d1 I presat
off-reson.
d1 I presat
pl9
Also see: LC-NMR experiments
zggppr zgcpgppr
p1
d1 I presat 8 I
pl9
Gz Gz
G1
d1
presat 8 pl9
G1
zgf2pr
1H
d1
1H
d1
zg0f2pr
CW at pl14
1H
CW at pl14 º
1H
Also see: noediff
p11
º
p1331
I d1 d19
I d1
d19
d19
d19
©2006: Bruker BioSpin , Teodor Parella 23
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
p3919gp
p3919fpgp
I d1 8 8
Gz
I d1
Gz
-x 8 8
p29 sp11
G1 G1
G1 G1
zggpwg
I d1
Gz
-x 8 8
pp1111 sp1
G1 G1
zggpw5
I d1 8 8 8 8
Gz
G1 G1 G2 G2
I d1
Gz
zgesgp
-x -x
8 8 8 8 pp1122 sp1
I d1
Gz
-x
p29 sp11
zgesfpgp
-x -x
8 8 8 8 pp1122 sp1
G1 G1G2 G2 G1 G1G2 G2
©2006: Bruker BioSpin , Teodor Parella 24
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
zgcppr
zgpr
zggpw5
zggpwg
p3919gp
10 9 8 7 6 5 4 3 2 1 0 ppm
©2006: Bruker BioSpin , Teodor Parella 25
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
wet
1H d1
p11
sp7 sp8 sp9 sp10
Gz
G21 G22 G23 G24
lc2wetdcus lc2wetdc wetdc
1H d1
p11
sp7 sp8 sp9 sp10
13C GARP
pl14
GARP
Gz
G21 G22 G23 G24
wetdw
1H d1
p11
sp7 sp8 sp9 sp10
13C GARP
pl12
Gz
G21 G22 G23 G24
©2006: Bruker BioSpin , Teodor Parella 26
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
19F SPECIFIC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 27
H
1H
F
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
19F Experiments
1D spectra:
1H-decoupled 19F spectrum (zgfhigqn / zgfhigqn.2 | F19CPD) 1H-coupled 19F spectrum (zgflqn | F19) 19F-homodecoupled 19F spectrum (zhflhdqn)
19F-decoupled 1D 1H spectrum (zghfigqn / zghfigqn30 | PROF19DEC) 1H spectrum with 19F-presaturation (zgf2hfpr)
2D spectra:
2D 19F-1H HETCOR experiment (hfcoqfqn) 2D 19F-1H HOESY experiment (hoesyfhqfqnrv)
zgfhigqn.2 zgflqn zgfhigqn
p1
zhflhdqn
p1
d1
19F
d1
19F
d1
19F
1
CPD
pl12
19F hd
pl24
zghfigqn zghfigqn30
30º
zgf2hfpr
d1 d1 d1 1H 1H
19F
CPD 19F
CPD
19
CW pl12 pl12 pl14
hfcoqfqn
H d1
d0 d0 d2
hoesyfhqfqnrv
19F
CPD
pl12
d3
1H d1
19F
d0 d0
d8
CPD
pl12
©2006: Bruker BioSpin , Teodor Parella 28
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2H SPECIFIC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 29
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• 1D spectra:
1D 2H spectrum (zg2h) 1D X-decoupled 2H spectrum (zgig2h, zgig2hf4)
• 2D spectra:
Magnitude-mode 2D HETCOR with 2H-decoupling (hxcoqf2h)
• Miscellaneous:
High-power 90º 2H decouple pulse calibration (decp902h, decp902hf4)
Related Experiments:
o Also see: 2H-decoupled 3D triple-resonance experiments
2H
d1
zg2h
p1
2H d1
zgig2h
p1
zgig2hf4
p1
2H
d1
S CPD
pl12
S CPD
pl17
decp902h decp902hf4
d1 f1 channel I
f2 channel 2H
d4
90º
p3
d1
f1 channel I f4 channel 2H
d4
90º
p23
hxcoqf2h
2H d1 d0 d0 d2 CPD
pl12
13C d3
©2006: Bruker BioSpin , Teodor Parella 30
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
BASIC 1D GRADIENTS
©2006: Bruker BioSpin , Teodor Parella 31
G G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Standard:
Gradient-enhanced 1D Echo experiment (zggegp) Gradient-enhanced 1D Spin-Echo experiment (zggpse)
• Gradient Calibration:
Gradient Strength Calibration (calibgp) Gradient Preemphasis Adjustament. Gradient Recovery Test (preempgp2)
• Gradient shimming:
1D Gradient Echo for gradshim-procedure (imgegp1d) 1D Gradient Echo for gradshim-procedure using 2H (imgegp1d2h) 1D Gradient Echo for gradshim-procedure using selective pulse (imgegpsp1d)
3D Gradient Echo for gradshim-procedure (imgegp3d) 3D Gradient Echo for gradshim-procedure with BSMS RCB board(imrcbgegp3d)
zggegp zggpse
I () () I () ()
Gz G2
G1
Gz
G1 G2
preempgp2
I d16
Gz
G1
imgegp1d calibgp y
I d27 I acq/2
acq
z z
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D COSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 33
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-cycled:
Magnitude-mode 2D COSY (cosyqf | COSY45SW / COSY90SW) Magnitude-mode 2D COSY using a 45 pulse (cosyqf45 | COSY45SW) Magnitude-mode 2D COSY using a 90 pulse (cosyqf90 | COSY90SW) Magnitude-mode 2D COSY using purge pulses before d1 (cosyppqf) Phase-sensitive 2D COSY (cosyph)
Magnitude-mode Long-Range optimized 2D COSY (cosylrqf)
Constant-Time 2D COSY (cosyjdqf)
Phase-cycled and solvent suppression:
Magnitude-mode 2D COSY with presaturation (cosyprqf) Phase-sensitive 2D COSY with presaturation (cosyphpr | COSYPHPR)
Gradient-based:
Magnitude-mode ge-2D COSY (cosygpqf | COSYGPSW) Magnitude-mode ge-2D COSY using purge pulses before d1 (cosygpppqf) Phase-sensitive ge-2D COSY using echo-antiecho (cosyetgp)
Miscellaneous:
Phase-sensitive w1-region-selective 2D COSY (scosyph) Phase-sensitive w1-region-selective 2D COSY with refocusing (scosyphrd)
Phase-sensitive 2D COSY with off-resonance single or multiple presaturation (cosycwphps | COSYCWPHPS)
Magnitude-mode 2D 13C-13C COSY (cosydcqf) Magnitude-mode long-range optimized 2D 13C-13C COSY (cosydclrqf) Phase-sensitive 2D 13C-13C COSY (cosydcph)
©2006: Bruker BioSpin , Teodor Parella 34
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H
H H H H
C C C N C C N C
1H d1
cosyph cosyqf
90º º
d0
cosyqf45
cosyqf90
90º 45º 90º
90º
1H d1 d0
1H d1 d0
cosyppqf
H x y
90º
d1 d0
45º
pp1177 pl10
1H d1
presat pl9
cosyphpr
cosyprqf p1 p0
d0
cosylrqf cosyjdqf
45º
1H d1
d0 d6 d6 1H d1 d0 d6-d0 d18
©2006: Bruker BioSpin , Teodor Parella 35
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
cosygpqf cosygpppqf
1H d1 d0
Gz
G1 G2
1H x y
pp1177 pl10
Gz
d1 d0
G1 G2
cosyetgp
1 d1 d0
G1 Gz
G2
scosyph scosyphrd
1H d1
90º º selective
d0
pp1111 sp1
1H d1
90º selective
pp1111 sp1
º
d20 d0
cosycwphps cosydcqf cosydcph
1H
13C
d1 d0 Off-reson. Presat
CW
pl21
1H
13C d1
CPD
pl12
d0
cosydclrqf
1H
13C d1
CPD
pl12
d0 d6 d6
©2006: Bruker BioSpin , Teodor Parella 36
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D COSY-DQF EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 37
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Phase-cycled:
Magnitude-mode 2D COSY with DQF (cosydfqf) Magnitude-mode 2D COSY with TQF (cosyqftf) Phase-sensitive 2D COSY with DQF (cosydfph | COSYDQFPHSW) Phase-sensitive 2D COSY with TQF (cosyphtf)
Phase sensitive 2D E.COSY -KcMAX=3 (ecos3nph) Complementary Phase sensitive 2D E.COSY - KcMAX=3 (ecos3cph)
• Phase-cycled and solvent suppression:
Phase-sensitive 2D COSY with DQF & presaturation (cosydfphpr)
• Gradient-based:
Magnitude-mode ge-2D COSY with multiple-quantum filter (cosygpmfqf | COSYGPMFSW) Phase-sensitive ge-2D COSY with multiple-quantum filter (cosygpmfph | COSYGPDFPHSW) Phase-sensitive ge-2D COSY with DQF using echo-antiecho (cosydfetgp.1) Phase-sensitive ge-2D COSY with gradient-based DQF using echo-antiecho (cosydfetgp.2)
Gradient E.COSY (ecosygpph)
• Gradient-based and solvent supression:
Phase-sensitive 2D COSY-DQF with WATERGATE using 3-9-19 (cosydfgpph19) Phase-sensitive 2D COSY-DQF with Excitation Sculpting using 180 water-selective pulse (ES
element) (cosydfesgpph)
©2006: Bruker BioSpin , Teodor Parella 38
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H
H H H H
C C C N C C N C
cosydfph cosydfqf
cosyphtf cosyqftf
ecos3cph ecos3nph
1H d1 d0 <l1<l2
<lrec
cosydfphpr
1H d1 d0
presat pl9
ecosygpph
1H y
p17
Gz
d1 d0
G1
G1
©2006: Bruker BioSpin , Teodor Parella 39
G
1
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
cosygpmfqf cosygpmfph
1H d1 d0 1H d1 d0
Gz
G1 G2 G3
Gz
G1 G2
cosydfetgp.1
cosydfetgp.2
1H d1 d0 1H d1 d0
Gz z
G1 G2
G1
G2 G3
cosydfgpph19
d1 H presat
d0
pl9
Gz
G1 G2
cosydfesgpph
d1
1 d0 presat pl9
Gz
-x -x
pp1122 sp1
G1 G1G2 G2
©2006: Bruker BioSpin , Teodor Parella 40
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D SECSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 41
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Magnitude-mode 2D SECSY (secsyqf) Magnitude-mode long-range optimized 2D SECSY (secsylrqf)
secsyqf
1H d1
90º
d0
90º
d0
1H d1
90º
d0
secsylrqf
90º d6 d6 d0
©2006: Bruker BioSpin , Teodor Parella 42
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D RELAYED EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 43
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Magnitude-mode one-step 2D RELAY (cosyqfrl) Magnitude-mode one-step 2D RELAY with incremented mixing times (cosyimqfrl) Magnitude-mode two-step 2D RELAY (cosyqfr2) Magnitude-mode two-step 2D RELAY wit h incremented mixing times (cosyimqfr2) Magnitude-mode three-step 2D RELAY (cosyqfr3)
JHH
H H
JHH
H H H H
C C C N C C N C
cosyqfrl
1H d1 d0 d2 d2
cosyimqfrl
1H d1 d0 d2 d20 d2 d20
©2006: Bruker BioSpin , Teodor Parella 44
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H
JHH JHH
H H H H
C C C N C C N C
cosyqfr2
1H d1 d0 d2 d2 d3 d3
cosyimqfr2
1H d1 d0 d2 d20 d2 d20 d3 d21 d3 d21
JHH
H H
JHH JHH
H H H
JHH
H H
C C C N C C N C
cosyqfr3
1H d1 d0 d2 d2 d3 d3 d4 d4
©2006: Bruker BioSpin , Teodor Parella 45
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D TOCSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 47
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-cycled
Phase-sensitive 2D TOCSY using MLEV (mlevph | MLEVPHSW) Phase-sensitive 2D TOCSY using MLEV with purge pulses before d1 (mlevphpp) Phase-sensitive 2D TOCSY using DIPSI-2 (dipsi2ph)
Phase-cycled and solvent suppression
Phase-sensitive 2D TOCSY with presaturation using MLEV (mlevphpr | MLEVPHPR ) Phase-sensitive 2D TOCSY with presaturation using MLEV only using first trim pulse (mlevphpr.2 | H2OSUPMLEV) Phase-sensitive 2D TOCSY with presaturation using DIPSI-2 (dipsi2phpr) Phase-sensitive 2D Clean-TOCSY with presaturation using MLEV (clmlevphpr)
Gradient-based
Phase-sensitive ge-2D TOCSY with MLEV using echo-antiecho (mlevetgp) Phase-sensitive ge-2D TOCSY with DIPSI-2 using echo-antiecho (dipsi2etgp) Phase-sensitive ge-2D TOCSY with DIPSI-2 using PEP (dipsi2etgpsi)
Gradient-based and solvent suppression
Phase-sensitive 2D TOCSY with WATERGATE (3-9-19) using MLEV (mlevgpph19 | MLEVGPPH19SW) Phase-sensitive 2D TOCSY with WATERGATE (3-9-19) using DIPSI-2 (dipsi2gpph19) Phase-sensitive sensitivity-improved 2D TOCSY with WATERGATE (3-9-19) and using DIPSI-2 (dipsi2etgpsi19) Phase-sensitive 2D Adiabatic TOCSY with WATERGATE (3-9-19) using X_M16 sequence (atocsygpph19)
Phase-sensitive 2D TOCSY with excitation sculpting (W5) using MLEV (mlevgpphw5) Phase-sensitive 2D TOCSY with excitation sculpting (180 water-selective pulse-ES element) using MLEV (mlevesgpph) Phase-sensitive 2D TOCSY with excitation sculpting (180 water-selective pulse-ES element) using DIPSI-2 (dipsi2esgpph)
Related Experiments:
o LC-NMR Experiments
©2006: Bruker BioSpin , Teodor Parella 48
d1
I
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H
JHH JHH
H H H H
C C C N C C N C
mlevph mlevphpp
I d1 d0
d9
MLEV-17
p6
I x y
pp1177
d1 d0
d9
MLEV-17
p6 pl10 pl10 pl10
mlevphpr
d1 I presat
d0
pl9
d9
MLEV-17
p6 pl10
mlevphpr.2
d1 I presat
d0
pl9
d9
MLEV-17
p6 pl10
clmlevphpr
d9
I d0 presat Clean MLEV-17
pl9 p6 pl10 d20
dipsi2ph
<1
d9
<rec
I d1 d0
d20 d21 DIPSI-2 (y)
p6 pl10
dipsi2phpr <1
d9 d1
<rec d0
presat pl9
d20DIPSI-2 (y)
d21
p6 pl10
©2006: Bruker BioSpin , Teodor Parella 49
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
mlevetgp
I d1
Gz
d9 d0
MLEV-17
p6 pl10
G1
G2
<1
I
d1
dipsi2etgp
d9
d0 d20 DIPSI-2 (y)
p6 pl10
d21
<rec
Gz G1
G2
<1
dipsi2etgpsi
d9
<rec
I d1
d0 d20 d21 DIPSI-2 (y)
p6 pl10
Gz G1
G2
©2006: Bruker BioSpin , Teodor Parella 50
I
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
mlevgpph19
I d1 d0
Gz
d9
MLEV-17
p6 pl10
G1 G1
dipsi2gpph19
<1
d9 d1
d21
<rec
I presat pl9
Gz
d0 d20 DDIIPPSSII--22 ((yy))
p6 pl10
G1 G2
atocsygpph19
d1 d0 I presat
d9
X_M16 Adiabatic
pl9 pp2299 sp0
Gz
G1 G2
dipsi2etgpsi19
<1
d1 d9
<rec d0
presat d20 d21
DIPSI-2 (y)
pl9 p6 pl10
Gz G1
G2 G3
©2006: Bruker BioSpin , Teodor Parella 51
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
mlevgpphw5
I d1 d0
Gz
d9
MLEV-17
p6 pl10
G1 G1 G2 G2
mlevesgpph
I d1 d0
Gz
d9
MLEV-17
p6 pl10
-x -x pp1122 sp1
G1 G1 G2 G2
dipsi2esgpph
d1 d0
I presat pl9
Gz
d9
DIPSI-2 (y)
p6 pl10
-x -x
pp1122 sp1
G1 G2G3
G3G4 G4
©2006: Bruker BioSpin , Teodor Parella 52
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D ROESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 53
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-cycled:
Phase-sensitive 2D ROESY (roesyph | ROESYPHSW) Phase-sensitive 2D ROESY using purgue pulses before d1 (roesyphpp) Phase-sensitive 2D T-ROESY (roesyph.2) Phase-sensitive 2D T-ROESY using purgue pulses before d1 (roesyphpp.2) Phase-sensitive 2D ROESY with compensation (croesyph) Phase-sensitive off-resonance 2D ROESY (troesyph)
Phase-cycled and solvent suppression:
Phase-sensitive 2D ROESY with presaturation (roesyphpr | ROESYPHPR) Phase-sensitive 2D T-ROESY with presaturation (roesyphpr.2) Phase-sensitive 2D ROESY with compensation and presaturation (croesyphpr) Phase-sensitive off-resonance 2D ROESY with presaturation (troesyphpr)
Gradient-based:
Phase-sensitive ge-2D ROESY using echo-antiecho (roesyetgp) Phase-sensitive ge-2D ROESY with T-ROESY using echo-antiecho (roesyetgp.2)
Gradient-based and solvent suppression:
Phase-sensitive 2D ROESY with WATERGATE using 3-9-19 (roesygpph19) Phase-sensitive 2D T-ROESY with WATERGATE using 3-9-19 (roesygpph19.2) Phase-sensitive 2D ROESY with excitation sculpting using 180 water-selective pulse (ES element) (roesyesgpph)
Related Experiments:
o Selective 1D ROESY Experiments o 2D NOESY Experiments o 2D HSQC-ROESY Experiments
NOE H H
©2006: Bruker BioSpin , Teodor Parella 54
1
H H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
roesyph roesyph.2
p25
H d1 d0
p15 pl11
1H d1
pl27 x x x x x
d0
CW -x -x -x -x -x T-ROESY
roesyphpp roesyphpp.2
1
x y d1 d0
p15 pl11
1
x y d1
p25 pl27
x x x x x d0
pp1177 CW pl10
pp1177 pl10
-x -x -x -x -x
T-ROESY
1H d1 d0
croesyph p15 pl11
1H d1 d0
troesyph
p15 sp10
CW off-resonance CW
roesyphpr
p15
roesyphpr.2 p25 pl27
1H d1 d0
presat pl9
pl11 CW
1H d1
presat pl9
x x x x x d0
-x -x -x -x -x T-ROESY
1 d1
H presat
croesyphpr d0
p15 pl11
1 d1
H presat
troesyphpr d0
p15 sp10
pl9 CW pl9 off-resonance CW
©2006: Bruker BioSpin , Teodor Parella 55
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
roesyetgp
p15 pl11
roesyetgp.2
p25 pl27
x x x x x 1H d1 d0
CW
1H d1 d0
-x -x -x -x -x T-ROESY
Gz G1 Gz G1
G2 G2
roesygpph19
1H d1 d0
Gz
p15 pl11 CW
G1 G1
roesygpph19.2
1H d1
p25 pl27
x x x x x d0
-x -x -x -x -x T-ROESY
Gz
G1 G1
roesyesgpph
1H d1 d0
Gz
p15 pl11 CW
-x -x pp1122 sp1
G1 G1G2 G2
©2006: Bruker BioSpin , Teodor Parella 56
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D NOESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 57
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
2D NOESY Experiments
1D Version:
1D NOESY with presaturation (noesypr1d) 1D NOESY with presaturation and spoil gradients (noesygppr1d)
Phase-cycled:
Phase-sensitive 2D NOESY (noesyph | NOESYPHSW) Phase-sensitive 2D NOESY using purgue pulses before d1 (noesyphpp) Phase-sensitive 2D NOESY using random mixing time (noesyphrv)
Phase-cycled and solvent suppression:
Phase-sensitive 2D NOESY with presaturation (noesyphpr | H2OSUPNOESY) Phase-sensitive 2D NOESY with presaturation using random mixing time (noesyphprrv) Phase-sensitive 2D NOESY with 1-1 solvent suppression (noesyph11)
Gradient-based:
Phase-sensitive ge-2D NOESY (noesygpph) Phase-sensitive ge-2D NOESY using purgue pulses before d1 (noesygpphpp) Phase-sensitive ge-2D NOESY with z-spoil (noesygpphzs) Phase-sensitive ge-2D NOESY using echo-antiecho (noesyetgp)
Gradient-based and solvent suppression:
Phase-sensitive 2D NOESY using jump-and-return and optional 13C and 15N decoupling during acquisition (noesygpphjrrs)
Phase-sensitive 2D NOESY with WATERGATE: Using
3-9-19 (noesygpph19 | NOESYGPPH19SW) Using water flip-back and 3-9-19 (noesyfpgpph19) Using water flip-back and water-selective 90 pulses (noesyfpgpphwg) Using water flip-back, 3-9-19 and PFG in t1 (noesyfpgpphrs19) Using water flip-back, water-selective 90 pulses and PFG in t1 (noesyfpgpphrswg)
Phase-sensitive 2D NOESY with excitation sculpting:
Using W5 (noesygpphw5) Using 180 water-selective pulse (ES element) (noesyesgpph)
Related Experiment:
Phase-sensitive 2D NOESY with RELAY and DQF (NOESY-RELAY experiment) (noesydfphrl)
Related Experiments:
o Selective 1D NOESY o 2D ROESY Experiments o 2D HSQC-NOESY & 2D HMQC-NOESY o 3D NOESY-HSQC & 3D HSQC-NOESY-HSQC o 2D & 3D X-filtered NOESY experiments
©2006: Bruker BioSpin , Teodor Parella 58
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
noesypr1d
noesygppr1d
1H d1
presat pl9
d8
presat
presat pl9
Gz
G1
presat
G2
NOE H H
noesyph
noesyphrv
noesyphpp
H d1 d0 d8 H x y d1 d0 d8
pp1177 pl10
noesyphpr noesyphprrv
1H d1 d0
presat pl9
d8 presat
noesyph11 noesydfphrl
1H d1 d0
d8 d19 1H d1 d0
d8 d4 d4
©2006: Bruker BioSpin , Teodor Parella 59
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
noesygpph noesygpphpp
1H d1 d0
d8
Gz
H x y d1 d0
pp1177 pl10 d8
Gz
G1 G2 G1 G2
noesyetgp
1H d1 d0 d8
Gz G1
G2 G3
noesygpphzs
1H d1
p32 sp29
d0
d8
Gz
G0 G1
©2006: Bruker BioSpin , Teodor Parella 60
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
noesygpph19
1H d1 d0 d8
Gz
G1 G1
noesyfpgpph19
1H d1 d0
pp1111 sp1 -x
d8
Gz
G1 G2 G2
noesyfpgpphrs19
1H d1 d0
pp1111 sp1 -x
d8
Gz
G1 G2 G2
noesyfpgpphwg noesyfpgpphrswg
1H d1 d0
Gz
pp2299 sp11 -x
d8
G1 G2
-y
y y
pp1111 sp1
G2
1H d1 d0
Gz
pp2299 sp11 -x
d8
G1 G2
-y
y y
pp1111 sp1
G2
©2006: Bruker BioSpin , Teodor Parella 61
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
noesyesgpph
1H d1 d0
Gz
-x -x
d8
pp1122 sp1
G1 G1 G2 G2
noesygpphw5
1 d1
presat pl9
d0 d8
Gz
G1 G1 G2 G2
noesygpphjrrs
1H d1 d0
-x -x d8 d19 d19*2
13C
15N
Gz
optional optional
p8 sp13
GARP
pl12
GARP
pl16
G1 G2 G2
©2006: Bruker BioSpin , Teodor Parella 62
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D & 2D DOUBLE-QUANTUM EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 63
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• 1D Double-Quantum (DQ)
1D Double-Quantum experiments (dqs1d) 1D Multiple Quantum Filter (mqsgp1d | mqsgp1d2)
• 2D Phase-cycled Double-Quantum (DQ)
Magnitude-mode 2D Double-Quantum (DQ) (dqsqf) Phase-sensitive Double-Quantum (DQ)(dqsph) Phase-sensitive 2D Double-Quantum (DQ) with presaturation (dqsphpr)
• 2D Gradient-based Double-Quantum (DQ)
Phase-sensitive ge-2D Double-quantum using echo-antiecho, 45/135 degree conversion pulse for better sensitivity and remote peak minimisation (dqseagp135) Phase-sensitive ge-2D Double-quantum using echo-antiecho (dqseagp90)
Related Experiments:
o 1D & 2D INADEQUATE
©2006: Bruker BioSpin , Teodor Parella 64
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
dqs1d
I d1
º d4 d4
mqsgp1d mqsgp1d2
1H d1 d4 d4 i5 i5 i5 i5 1H d1 d4 d4 i5 i5
Gz
G1 G2
Gz
G1 G2 G3
dqsph dqsqf
dqsphpr
1H d1
º
d4 d4 d0
1H
d1
presat pl9
d4 d4 d0
dqseagp90 rec
dqseagp135
rec
1H d1 d4 d4 d0 i5 i5 i5 i5 1H d1 d4 d4 d0 i5 i5 i5 i5
Gz
G1 G1
G3
G2 G2
Gz
G1 G1
135º
G3
G2 G2
©2006: Bruker BioSpin , Teodor Parella 65
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D J-RESOLVED EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 67
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Classical:
Magnitude-mode 2D J-Resolved (jresqf) Magnitude-mode 2D J-Resolved with f2 decoupling (jresdcqf)
• With solvent suppression:
2D J-Resolved with presaturation (lcjresprqf) 2D J-Resolved with presaturation using shape pulse (lcjrespsqf)
Also see:
LC-NMR Experiments
jresqf
jresdcqf
1 d1 d0 d0
13C
CPD
pl12
1H
d1
d0 d0
lcjresprqf lcjrespsqf
1H d1
presat pl9
d0 d0
1H d1 d0 d0
presat off-reson.
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
DECOUPLER PULSE CALIBRATION
©2006: Bruker BioSpin , Teodor Parella 69
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Calibration of the 90 decoupler pulse (decp90, decp90f3) Calibration of the 90 decoupler shaped pulse (decp90sp)
Calibration of the 180 decoupler pulse (dec180) Calibration of the shaped 180 decoupler pulse (dec180sp) Calibration of the 180 decoupler pulse using presaturation (dec180pr, dec180f3pr)
decp90 decp90sp
d1 f1 channel I
f2 channel S
d2
90º
p3
d1
f1 channel I f2 channel S
d2
90º
pp1133 sp2
decp90f3
d1 f1 channel I
f3 channel S
d2
90º
p21
©2006: Bruker BioSpin , Teodor Parella 70
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
dec180
d1 ff11 cchhaannnneell I
f2 channel S
d2 d2
�
dec180sp
d1 ff11 cchhaannnneell I
f2 channel S
d2 d2
180º
pp1144 sp3
dec180pr
f1 channel I
f2 channel S
d1
presat pl9
d2 d2
�
CPD
pl12
dec180f3pr
f1 channel I d1
presat pl9
d21 d21
�
f3 channel S
CPD
pl16
©2006: Bruker BioSpin , Teodor Parella 71
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D DEPT & INEPT EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 73
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• DEPT Experiments:
DEPT (dept) DEPT-45 (dept45 | C13DEPT45) DEPT-90 (dept90 | C13DEPT90) DEPT-135 (dept135 | C13DEPT135) DEPT-45 with adiabatic pulses (deptsp45 / deptsp) DEPT-90 with adiabatic pulses (deptsp90) DEPT-135 with adiabatic pulses (deptsp135) DEPT with composite pulses (deptcp) DEPT-45 with composite pulses (deptcp45) DEPT-90 with composite pulses (deptcp90) DEPT-135 with composite pulses (deptcp135)
DEPT without 1H-decoupling (deptnd) DEPT++ without 1H-decoupling (deptppnd)
• INEPT Experiments:
INEPT without refocusing (ineptnd) Refocused INEPT with decoupling (ineptrd) Refocused INEPT with decoupling using adiabatic pulses (ineptrdsp) INEPT+ without decoupling (ineptpnd)
Non-refocused 1H-coupled 15N spectrum using INEPT (ineptnd) 1H-decoupled 15N spectrum using INEPT (ineptrd | N15INEPT) Refocused 1H-coupled 15N spectrum using INEPT+ (ineptpnd)
1D X-relayed H,X-COSY (ineptrl1 / ineptrl2)
• Other editing experiments:
Spin-Echo or SEFT (jmod) Conventional APT (apt | C13APT) APT with J-compensation (aptjc)
Quaternary-carbons with decoupling (quatd) Quaternary-carbons without decoupling (quat)
©2006: Bruker BioSpin , Teodor Parella 74
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
dept º
dept45
45º
I d1 d2 d2 d2 CPD I d1 d2
d2 d2 CPD
p0 pl12 pl12
S S
I d1
S
dept90
90º
d2 d2 d2
CPD
pl12
I d1
S
dept135
135º
d2 d2 d2
CPD
pl12
deptsp º
deptsp45 ºº
I d1 d2 d2 d2 CPD I d1 d2 d2 d2
CPD p0 pl12 pl12
S
pp1122 sp2
S
pp1122 sp2
deptsp90
90º
deptsp135
135º
I d1 d2 d2 d2 CPD I d1 d2 d2 d2
CPD
pl12 pl12
S
pp1122 sp2
S
pp1122 sp2
©2006: Bruker BioSpin , Teodor Parella 75
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
I d1
deptcp
º
d2 d2 d2
CPD
I d1
deptcp45
45º
d2 d2 d2
CPD
p0 pl12 pl12
S S
I d1
S
deptcp90
90º
d2 d2 d2
CPD
pl12
deptcp135
135º
S
CPD
pl12
deptnd
º
I d1 d2
S
d2 d2
p0
deptppnd
º
I d1 d2
S
d2 d4
p0
d4 d4 d4
©2006: Bruker BioSpin , Teodor Parella 76
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
ineptnd
y
I d1 d4 d4
S
ineptrd
y
I d1 d4 d4 CPD
pl12
S d3 d3
ineptrdsp
y
I d1 d4 d4 CPD
pl12
S d3 d3
pp1144 sp3
pp1144 sp3
ineptpnd
y
I d1 d4 d4
S d3 d3
©2006: Bruker BioSpin , Teodor Parella 77
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H H H H
H 1JCH
C C C C C C C C 1JCC
ineptrl1
I d1
S
d21 d21 d3
d4 d4
CPD
pl12
ineptrl2
I d1 d21 d21 d3 CPD
pl12
CPD
pl12
S d4 d4 d2
©2006: Bruker BioSpin , Teodor Parella 78
H
H H
C C
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
jmod
CPD CPD
pl12 pl12
13C d1 d20 d20
apt
1
CPD CPD
pl12 pl12
13C d1 d20 d20 d21 d21
aptjc -x
1H
CPD
d4 d4
CPD
pl12 pl12
13C d1 d2 d2
quat quatd
d1 1 d2
CPD
d1 1 d2
CPD
CPD
pl12 pl12 pl12
13
d2 13
d2
©2006: Bruker BioSpin , Teodor Parella 79
l ....J..
Pulse Program Catalogue NMRGuide 4.1 -Topspin 2.0
RUKER IOSPIN
DEPT-90 ar •r•at• WI m t'
DEPT-135
CH + CH3
CH2
...,. ...........
160 140 120 100 80 60 40 ppm
©2006: Bruker BioSpin , Teodor Parella 80
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D X-DETECTED HETCOR EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 81
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• INEPT-Based HETCOR
o Magnitude-mode 2D HETCOR (hxcoqf | HCCOSW) o Magnitude-mode 2D HETCOR with 2H-decoupling (hxcoqf2h) o Magnitude-mode 2D HETCOR using composite pulses (hxcocpqf) o Magnitude-mode 2D HETCOR with 1H-1H decoupling in F1 using BIRD
(hxcobiqf) o Magnitude-mode 2D HETCOR with 1H-1H decoupling in F1 using BIRD and
composite pulses (hxcobicpqf) o Magnitude-mode 2D HETCOR with refocusing of chemical shifts (hxinepqf) o Phase-sensitive 2D HETCOR with refocusing of chemical shifts (hxinepph)
• DEPT-based HETCOR
o Magnitude-mode DEPT-based 2D HETCOR (hxdeptqf) o Phase-sensitive DEPT-based 2D HETCOR (hxdeptph) o Magnitude-mode DEPT-based 2D HETCOR with 1H-1H decoupling in F1
using BIRD (hxdeptbiqf) o Phase-sensitive DEPT-based 2D HETCOR with 1H-1H decoupling in F1 using
BIRD (hxdeptbiph)
o Phase-sensitive DEPT-based TOCSY-HETCOR experiment (hxdeptmlph)
• 2D H-relayed HETCOR experiment
o Magnitude-mode 2D H-relayed HETCOR (hhxcoqf / hhxcoqf.2)
• 2D X-relayed HETCOR experiment
o Magnitude-mode 2D X-relayed HETCOR (hxxcoqf)
Related Experiments:
• 2D HMQC • 2D HSQC
©2006: Bruker BioSpin , Teodor Parella 82
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JCH
H H
H H H H
C C C N C C N C
hxcoqf hxcocpqf
1H d1 d0 d0 d2 CPD
1H d1
d0 d0 d2 CPD
pl12 pl12
13C d3 13C d3
hxcobiqf
1H d1 d0 d2 d2 d0 d2
CPD
pl12
13C d3
hxcobicpqf
1H d1 d0 d2 d2 d0 d2
CPD
pl12
13C d3
hxinepqf hxinepph
1H d1 d0 d0 d4 d4 CPD
pl12
13C d3 d3
©2006: Bruker BioSpin , Teodor Parella 83
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H H H H
H 1JCH
C C C N C C N C
hhxcoqf
1H d1
13C
d0 d20 d4 d20
d4 d3
CPD
pl12
hhxcoqf.2
1H d1
13C
d0 d20 d20 d2
d3
CPD
pl12
H H H H H H 1JCH
C C C N C C N C 1JCC
hxxcoqf
1H d1 d0 d0 d2 d3 CPD
pl12
CPD
pl12
13C d4 d4 d2
©2006: Bruker BioSpin , Teodor Parella 84
d1
E d9
d2 CPD
d0 d0 MLEV-17
d2
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JCH
H H
H H H H
C C C N C C N C
hxdeptph hxdeptqf
º
1H d1 d2 d2 d0 d0 CPD
pl12
13C d2
hxdeptbiph hxdeptbiqf
º
1H d1 d0 d2 d2 d0 d2 d2 CPD
pl12
13C d2
JHH
H H
JHH JHH
H H H H
C C C N C C N C
hxdeptmlph
1H
p6 pl10
º
pl12
13C d2
©2006: Bruker BioSpin , Teodor Parella 85
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D COLOC EXPERIMENT
©2006: Bruker BioSpin , Teodor Parella 87
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Magnitude-mode 2D COLOC (colocqf | HCCOLOCSW)
Related Experiments:
• 2D HETCOR • 2D HMBC
H H H H H H
C C C N C C N C
3JCH
2JCH
colocqf
1H d1
13C
d0 d6-d0
d6
CPD
pl12
©2006: Bruker BioSpin , Teodor Parella 88
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HETERONUCLEAR J-RESOLVED EXPERIMENT
©2006: Bruker BioSpin , Teodor Parella 89
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Magnitude-mode 2D Heteronuclear J-Resolved (hjresqf)
hjresqf
1H
13C
CPD
pl12
d1
CPD
pl12
d0
©2006: Bruker BioSpin , Teodor Parella 90
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HOESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 91
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Magnitude-mode 2D 1H-13C HOESY(hoesyqfrv) Phase-sensitive 2D 1H-X HOESY (hoesyph)
Also see 19F experiments (hoesyfhqfqnrv)
H NOE
C
hoesyqfrv
I d1
S
d0 d0
d8
CPD
pl12
hoesyph
I d1 c d0 d0
S d8
CPD
pl12
©2006: Bruker BioSpin , Teodor Parella 92
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D & 2D INADEQUATE EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 93
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• 1D INADEQUATE
1D INADEQUATE without refocusing (inad1d) 1D INADEQUATE using composite pulses ( inadcp1d) 1D INADEQUATE with refocusing ( inadrd1d) 1D INADEQUATE using initial INEPT ( inepin)
• 2D INADEQUATE
Magnitude-mode 2D INADEQUATE (inadqf/ inadqf.2 | INAD) Phase sensitive 2D INADEQUATE( inadph) Magnitude-mode symmetric 2D INADEQUATE( inadqfsy)
Also see 1D & 2D DQ Experiments
©2006: Bruker BioSpin , Teodor Parella 94
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H H H H H
C C C N C C N C 1JCC
inad1d inadrd1d
1H CPD 1
CPD
13C d1
pl12 pl12
d4 d4 13C d1 d4 d4 d4 d4
inadcp1d
1H CPD pl12
13C d1
d4 d4
H H H H H H 1JCH
C C C N C C N C 1JCC
inepin
I d1 d21 d21 d3 CPD
pl12
Also see ineptrl1
S d4 d4
©2006: Bruker BioSpin , Teodor Parella 95
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H H H H H
C C C N C C N C 1JCC
1H
13C d1
inadqf.2 inadph inadqf
CPD
pl12
d4 d4 d0
inadqfsy
1H
13C d1
CPD
pl12
d4 d4 d0 d0
©2006: Bruker BioSpin , Teodor Parella 96
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D INVERSE EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 97
C d1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Phase-Cycled:
1D inverse DEPT with refocusing and no decoupling ( ideptnd) 1D inverse INEPT without refocusing and without decoupling ( iineptnd) 1D inverse INEPT with refocusing and decoupling ( iineptrd)
1D HMQC with refocusing but not decoupling (hmqcndrd1d | HMQC1D) 1D HMQC without refocusing and without decoupling (inv3nd1d/ hmqcnd1d) 1D HMQC with refocusing and decoupling (hmqcrd1d) 1D HMQC using BIRD without refocusing and without decoupling ( hmqcbind1d) 1D HMQC using BIRD with refocusing and without decoupling (hmqcbindrd1d) 1D HMQC using BIRD with refocusing and decoupling (hmqcbird1d)
1D DEPT-HMQC with refocusing and decoupling (indecord1d) 1D DEPT-HMQC using BIRD with refocusing and decoupling (indecobird1d)
• Gradient-based:
ge-1D HMQC with refocusing but not decoupling (hmqcgpnd1d) ge-1D HSQC with refocusing and no decoupling (hsqcgpnd1d)
Any 2D or 3D pulse sequence can be used for 1D acquisition (mc commands)
iineptnd iineptrd
1H 1H d4 d4
13C d1
13 d20 d20
d20
d20
GARP
pl12
ideptnd
º
1H d2 d2 d2
13C d1
©2006: Bruker BioSpin , Teodor Parella 98
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcnd1d
1H d1 d2
<lrec
<ll
X
1H d1
hmqcndrd1d d2 d2
<lrec
1H d1
hmqcrd1d
d2 d2
<lrec
<ll
X
X GARP
pl12
hmqcbind1d
1H d1
-x
d2 d2 d7 d2
<lrec
<ll
X
hmqcbindrd1d
-x
1H d1
d2 d2 d7
d2 d2
<lrec
<ll
X
hmqcbird1d
-x
1H d1
d2 d2 d7
d2 d2 <lrec
<ll
X GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 99
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
indecord1d
1H d1 d2
º d2 d2 d2
X GARP
pl12
indecobird1d
1H d1
d2 d2 d7 d2
º d2 d2 d2
GARP
pl12
hmqcgpnd1d
1H d1 d2
<lrec d2
<l1
X
Gz
G1 G2 G3
hsqcgpnd1d
1H d1
y
d4 d4 d4 d4
<lrec
<l1
X
Gz
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 100
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMQC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 101
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-cycled:
Magnitude-mode 2D HMQC (hmqcqf | HMQC) Magnitude-mode 2D HMQC without decoupling (hmqcndqf) Magnitude-mode 2D HMQC using BIRD (hmqcbiqf | HMQCBI) Magnitude-mode 2D HMQC using BIRD without decoupling (hmqcbindqf) Phase-sensitive 2D HMQC (hmqcph | HMQCPH) Phase-sensitive 2D HMQC without decoupling (hmqcndph) Phase-sensitive 2D HMQC using BIRD (hmqcbiph | HMQCBIPH) Phase-sensitive 2D HMQC using BIRD without decoupling (hmqcbindph)
Phase-cycled and solvent suppression
From f2 channel: Phase-sensitive 2D HMQC with presaturation (hmqcphpr | HMQCPHPR) Phase-sensitive 2D HMQC using BIRD and presaturation (hmqcbiphpr) / hmqcbiphpr2) Phase-sensitive 2D HMQC with 1-1 water suppression (hmqcph11)
From f3 channel: Phase-sensitive 2D 1H-15N HMQC (hmqcf3ph) Phase-sensitive 2D 1H-15N HMQC using presaturation (hmqcf3phpr) Phase-sensitive 2D 1H-15N HMQC using BIRD (hmqcbif3ph) Phase-sensitive 2D 1H-15N HMQC using decoupling in a third f2 channel (hmqcfbph)
Gradient-based:
From f2 channel: Magnitude-mode ge-2D HMQC (hmqcgpqf | HMQCGP) Phase-sensitive ge-2D HMQC using z-filter (hmqcgpph) Phase-sensitive ge-2D HMQC using echo-antiecho (hmqcetgp) Phase-sensitive ge-2D HMQC using echo-antiecho with adiabatic refocusing (hmqcetgp.2) Phase-sensitive ge-2D HMQC using PEP (hmqcetgpsi) Phase-sensitive ge-2D HMQC using PEP and shorter overall timing (hmqcetgpsi.2)
From f3 channel: Phase-sensitive ge-2D 1H-15N HMQC using echo-antiecho (hmqcetf3gp) Phase-sensitive ge-2D 1H-15N HMQC using PEP (hmqcetf3gpsi) Phase-sensitive ge-2D 1H-15N HMQC using PEP and shorter overall timing( hmqcetf3gpsi.2)
Gradient-based and solvent suppression
Phase-sensitive ge-2D 1H-15N HMQC using WATERGATE (3-9-19) (hmqcf3gpph19)
©2006: Bruker BioSpin , Teodor Parella 102
H d2
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JCH
H H
H H H H
C C C N C C N C
hmqcqf hmqcph
1H d1
d2 d2
<lrec
X d0 d0 GARP pl12
hmqcndph hmqcndqf
1H d1
d2 d2
<lrec
<ll
X d0 d0
hmqcphpr
d1
1 d2 presat pl9
<lrec
<ll
d0 d0 X
GARP
pl12
hmqcph11
-x -x
<lrec
1H d1 d19 d2 d19*2 d2
<ll
X d0 d0
GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 103
H
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcbiph hmqcbiqf
1H d1
-x
d2 d2 d7
d2 d2
<lrec
<ll
X d0 d0
GARP pl12
hmqcbindph
hmqcbindqf -x
<lrec
1H d1
d2 d2 d7 d2 d2
<ll
X d0 d0
hmqcbiphpr
d1 1
presat pl9
-x d2 d2 d7
presat pl9
d2 d2
<ll
<lrec
X d0 d0
GARP pl12
hmqcbiphpr2
-x
d1
1
presat pl9
d2 d2 d7
<ll
d2 d2
<ll
<lrec
X d0 d0
GARP pl12
©2006: Bruker BioSpin , Teodor Parella 104
H d2
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JNH
H H H H H H
C C C N C C N C
hmqcf3ph
1H d1 d2 d2 <lrec
<ll
X d0 d0 GARP
pl16
hmqcf3phpr
d1 1 d2
presat pl9
<lrec
<ll
d0 d0 X
GARP
pl16
hmqcbif3ph
-x
<lrec
1H
d1
d2 d2 d7 d2 d2
<ll
X d0 d0
GARP pl16
hmqcfbph
1H d1
d2 d2
<lrec
15N
13C
<ll d0 d0
GARP
pl12
GARP
pl16
©2006: Bruker BioSpin , Teodor Parella 105
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcgpqf
1H d1 d2 8 8 d2
<lrec
<l1
d0 d0
X
Gz
GARP
pl12
G1 G2 G3
hmqcgpph
1H d1
d4 d4
<lrec d2
<l1
d0 d0 8 X
Gz
G1
d4 d4
G2
GARP
pl12 G3
hmqcf3gpph19
1H d1
d26
y
d26
d26 d26
<lrec
15N
Gz
<l1 d0 d0
G1 G1
GARP
pl16
©2006: Bruker BioSpin , Teodor Parella 106
d1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcetgp
1H d1 d2
d2 <lrec
13C
15N
optional
<l1
pp1144 sp3
d0 d0
8 8
GARP
pl12
Gz
G2
G1 G1
hmqcetgp.2
1H d2 d2 <lrec
13C
Gz
<l1
pp1144 sp3
d0 d0
8 8 pp2244 sp7
GARP
pl12
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 107
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcetgpsi
1H d1 d2
y d2 d2 d2 8 8
<lrec
13C
15N optional
<l1
pp1144 sp3
y
d0 d0
8 8
GARP
pl12
Gz
G2
G1 G1
hmqcetgpsi.2
1H d1
y d4 d4 d4 d4 d4 d4 8 8
<lrec
13C
pp1144
<l1 d0 d0
8 8
y
pp1144
GARP pl12
15N optional sp3
sp3
Gz
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 108
p14p14
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcetf3gp
1H d1 d21 d21
<lrec
15N
13C optional
<l1
8
d0 d0 8
8 8
GARP pl16
pp1144 Gz
sp3
G1 G1
G2 G1 G1
hmqcetf3gpsi
1H d1
d21
d21
d21
y
d21 8 8
<lrec
15N
13C optional
Gz
<l1
8
y
d0 d0 8
8 8
pp1144 sp3
GARP
pl16
G1 G1
G2
G1 G1
hmqcetf3gpsi.2
1H d1
d26 d26
d26
d26
y
d26 d26 8 8
<lrec
15N
<l1
8
y
d0 d0 8
GARP pl16
13C optional 8 8
pp1144 Gz
sp3
G1 G1
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 109
•
0
Pulse Program Catalogue NMRGuide 4.1 -Topspin 2.0
RUKER IOSPIN
IIJUU
_.HI
; 0
.t 'I - so
i 60
70
I M
qo
l Oll
1111
I
·' J.O
K.O
Ufl
1. 7(.1 ti_c; 6.0 _:; :;;.o -&5 -& H J.:- J.O 2.5 Z.O 1.5 1.0 ppm
©2006: Bruker BioSpin , Teodor Parella 110
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D DEPT-HMQC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 111
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-sensitive 2D DEPT-HMQC (indecoph) Phase-sensitive 2D DEPT-HMQC using BIRD (indecobiph) Phase-sensitive 2D DEPT-HMQC-TOCSY using BIRD ( indecobimlph)
indecoph
1H d1 d2
º d2 d2 d2
X d0 d0 GARP
pl12
indecobiph
1H d1
d2 d2 d7 d2
º d2 d2 d2
X d0 d0 GARP
pl12
indecobimlph
1H d1
X
d2 d2 d7 d2
º d2 d2
d0 d0
d9
d2 MLEV-17
p6 pl10
GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 112
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HSQC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 113
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
FROM F2 CHANNEL
• Phase-cycled:
Phase-sensitive 2D HSQC (hsqcph)
• Phase-cycled and solvent suppression:
Phase-sensitive 2D HSQC with presaturation (hsqcphpr) Phase-sensitive 2D HSQC with off-resonance presaturation (hsqcphps)
• Gradient-based:
Phase-sensitive ge-2D HSQC using z-filter and selection before t1 (hsqcgpph | HSQCGP) Phase-sensitive ge-2D HSQC using z-filter and selection after t1 (hsqcgpph2) Phase-sensitive ge-2D HSQC using echo-antiecho (hsqcetgp | HSQCETGP) Phase-sensitive ge-2D HSQC using echo-antiecho and adiabatic pulses for inversion (hsqcetgpsp) Phase-sensitive ge-2D HSQC using echo-antiecho and adiabatic pulses for inversion and refocusing(hsqcetgpsp.2) Phase-sensitive ge-2D HSQC using echo-antiecho and adiabatic pulses for inversion and refocusing and BS effects(hsqcetgpsp.3) Phase-sensitive ge-2D HSQC using PEP (hsqcetgpsi) Phase-sensitive ge-2D HSQC using PEP with gradients in back-inept (hsqcetgpsi2) Phase-sensitive ge-2D HSQC using PEP and adiabatic pulses for inversion(hsqcetgpsisp | HSQCETGPSISP) Phase-sensitive ge-2D HSQC using PEP and adiabatic pulses for inversion with gradients in back-inept (hsqcetgpsisp2) Phase-sensitive ge-2D HSQC using PEP and adiabatic pulses for inversion and refocusing (hsqcetgpsisp.2 | HSQCETGPSISP.2) Phase-sensitive ge-2D HSQC using PEP and adiabatic pulses for inversion and refocusing with gradients in back-inept (hsqcetgpsisp2.2)
ge-2D 1H-X HSQC experiment with X-Y-decoupling during acquisition and with selective Cb/C=O decoupling. (hsqcdhetgpsp)
©2006: Bruker BioSpin , Teodor Parella 114
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
FROM F3 CHANNEL
• Phase-cycled:
Phase-sensitive 2D 1H-15N HSQC (hsqcf3ph)
• Phase-cycled and solvent suppression:
Phase-sensitive 2D 1H-15N HSQC using presaturation (hsqcf3phpr)
• Gradient-based:
Phase-sensitive ge-2D 1H-15N HSQC using echo-antiecho (hsqcetf3gp | HSQCETF3GP) Phase-sensitive ge-2D 1H-15N HSQC using PEP (hsqcetf3gpsi | HSQCETF3GPSI) Phase-sensitive ge-2D 1H-15N HSQC using PEP with gradients in back-inept (hsqcetf3gpsi2)
Phase-sensitive ge-2D 1H-15N HSQC using XY16-CPMG(hsqcetf3gpxy, hsqcetf3gpxy.2)
• Gradient-based and solvent suppression
Phase-sensitive ge-2D 1H-15N HSQC using water flip-back and echo-antiecho (hsqcetfpf3gp | HSQCETFPF3GP) Phase-sensitive ge-2D 1H-15N HSQC using water flip-back and PEP (hsqcetfpf3gpsi | HSQCETFPF3GPSI) Phase-sensitive ge-2D 1H-15N HSQC using water flip-back and PEP with gradients in back-inept (hsqcetfpf3gpsi2)
Phase-sensitive ge-2D 1H-15N HSQC using WATERGATE (3-9-19) (hsqcf3gpph19) Fast-HSQC, Phase-sensitive ge-2D 1H-15N HSQC using WATERGATE (3-9-19) (fhsqcf3gpph | FHSQCF3GPPH) Phase-sensitive ge-2D 1H-15N HSQC using water flip-back and WATERGATE (selective pulse) (hsqcfpf3gpphwg | HSQCFPF3GPPHWG)
©2006: Bruker BioSpin , Teodor Parella 115
1
H
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcph
1H d1 d4
y d4 d4 d4
<rec
<1
d0 d0 X
GARP
pl12
hsqcf3ph
1H d1
d26
y d26 d26 d26
<rec
<1
d0 d0
X
GARP
pl12
hsqcphpr
d1
H presat pl9
y d4 d4 d4 d4
<1
<rec
d0 d0
X
GARP pl12
hsqcf3phpr
1 d1
presat pl9
d26
y
d26 d26 d26
<1
<rec
d0 d0
X
GARP pl12
hsqcphps
d1
H presat off-reson.
y d4 d4 d4 d4
<1
<rec
d0 d0
X
GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 116
1
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JCH
H H
H H H H
C C C N C C N C
hsqcgpph
y
<rec
H d1 d4
d4 d4 d4
<1
X d0 d0
Gz
GARP
pl12
G1 G2 G3
hsqcgpph2
y
H d1 d4 d4 d4 d4
<rec
<1
X d0 d0
Gz
GARP
pl12
G1 G2 G3
ppm
20
40
60
80
100
120
140
10 9 8 7 6 5 4 3 2 1 ppm
©2006: Bruker BioSpin , Teodor Parella 117
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetgp
1H d1
y
d4 d4 p28 d4 d4
<rec
13C
15N
optional
<1
d0 d0
GARP
pl12
Gz
G2 G1
y
p28
hsqcetgpsp <rec
1H d1
d4 d4 d4 d4
13C
pp1144
<1
d0 d0
pp1144
GARP
15N
optional sp3 sp3
pl12
Gz
G2
G1
hsqcetgpsp.2
1H
d1
y
d4 d4 p28 d4 d4
<rec
13C
15N
optional
pp1144 sp3
<1
d0 d0
pp2244 sp7
pp1144 sp3
GARP
pl12
Gz
G2
G1
©2006: Bruker BioSpin , Teodor Parella 118
/
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1H d1
d4 d4
y
p28
hsqcetgpsp.3 d4 d4
<rec
13C
15N
Gz
optional
pp1144 sp3
<1
d0 d0
pp1144 sp3
pp1144 sp3
pp1144 sp3
GARP
pl12
G2 G1
hsqcdhetgpsp
1H d1
y
d4 d4 p28 d4 d4
<rec
13Ca
13C /13CO
pp1144 sp3
<1
d0 d0
pp1144 sp9
pp1144 sp3
GARP
pl12
p5m4sp180.p31
Gz pl13
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 119
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetgpsi
1H
d1
y y
d4 d4 p28 d24 d24
d4 d4
<rec
<1 'I'
13C
15N
optional
d0 d0 GARP
pl12
Gz
G2 G1
hsqcetgpsi2
y y <rec
1H d1
d4 d4 p28 d24 d24
d4 d4
13C
15N
optional
<1
d0 d0
'I' GARP
pl12
Gz
G3 G3 G4 G4 G2 G1
hsqcetgpsisp
y y <rec
1H d1
d4 d4 p28 d24 d24
d4 d4
13C
pp1144
<1
d0 d0
'I'
pp1144
GARP
15N
optional
sp3 sp3 pl12
Gz
G2 G1
©2006: Bruker BioSpin , Teodor Parella 120
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetgpsisp2
y y <rec
1H d1
d4 d4 p28 d24 d24
d4 d4
13C
15N
optional
pp1144 sp3
<1
d0 d0
'I'
pp1144 sp3
GARP
pl12
Gz
G3 G3 G4 G4 G2
G1
hsqcetgpsisp.2
y y <rec
1H d1
d4 d4 p28 d24 d24
d4 d4
13C
15N
pp1144 sp3
<1
d0 d0
pp2244 sp7
pp2244 sp7
'I'
pp1144 sp3
GARP pl12
Gz
G2 G1
hsqcetgpsisp2.2
H d1
d4 d4
y y p28
d24 d24
d4 d4
<rec
<1 'I'
13C
Gz
pp1144 sp3
d0 d0
pp2244 sp7
pp2244 sp7
pp1144 sp3
GARP
pl12
G3 G3 G4 G4 G2
G1
©2006: Bruker BioSpin , Teodor Parella 121
H
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1JNH
H H H H H H
C C C N C C N C
hsqcetf3gp
1 d1 d26
d26
y p28
d26 d26
<rec
15N
13C
optional
<1
d0 d0
GARP
pl16
pp1144
z sp3
G1 G3 G2
10 9 8 7 6 5 4 3 2 1 0 ppm
ppm 102
104
106
108
110
112
114
116
118
120
122
124
126
128
10.0 9.5 9.0 8.5 8.0 7.5 7.0 6.5 6.0 ppm
©2006: Bruker BioSpin , Teodor Parella 122
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetf3gpsi
1H d1
d26
y y
d26 p28 d24 d24 d26 d26
<rec
15N
13C
Gz
optional
<1
d0 d0
pp1144 sp3
'I' GARP
pl16
G1 G3 G2
hsqcetf3gpsi2
y y <rec
1H d1
d26
d26 p28
d24 d24 d26 d26
<1 'I'
15N
13C
optional
d0 d0 pp1144 sp3
GARP
pl16
Gz
G1 G4 G4 G2
G5 G5 G3
in doubly-labeled proteins
zgoptns -DLABEL_CN in eda
ppm ppm
119 119
120 120
121 121
122 122
123 123
124 124
125 125
8.8
8.6
8.4
8.2
8.0
ppm
8.8
8.6
8.4
8.2
8.0
7.8
ppm
©2006: Bruker BioSpin , Teodor Parella 123
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetfpf3gpsi
1H d1
d26
y y
d26 d24 d24 d26 d26
<rec
15N
13C
Gz
optional
<1
d0 d0
p8 sp13
'I'
GARP
pl16
G1 G3
G2
hsqcetfpf3gpsi2
1H d1
d26
y y
d26 d24 d24 d26 d26
<rec
<1 'I'
15N
13C
optional
d0 d0
p8 sp13
GARP
pl16
Gz
G1 G4 G4 G2
G5 G5 G3
©2006: Bruker BioSpin , Teodor Parella 124
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
fhsqcf3gpph
1H d1
d26
y
d26
-x
d26 d26
<rec
15N
13C
optional
<1
d0 d0
GARP
pl16
Gz
G1 G1 G2
pp1144 sp3
G2 G3 G3
H d1
d26
d26
y
p28
hsqcf3gpph19 d26 d26
<rec
15N
Gz
<1
d0 d0
GARP
pl16
G1 G2 G3
hsqcetfpf3gp y
-x
G3
d26 d26
<rec
1H
15N
13C
d1
optional
d26 d26 pp1111 sp1
<1
d0 d0
-x p29 sp11
-x
GARP
pl16
p8 Gz sp13
G1 G3
G2
G4 G5
hsqcfpf3gpphwg y
-x
d26 d26
<rec
1H d1
15N
Gz
d26 d26 pp1111 sp1
<1
d0 d0
-x p29 sp11
-x
GARP
pl16
G1 G2 G3 G3
©2006: Bruker BioSpin , Teodor Parella 125
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetf3gpxy
xy16 y xy16
<rec
1H d1 d26 d26 d26 d26
xy16 <1 xy16
15N
13C
optional
d0 d0
loop loop
GARP
pl16
pp1144 Gz sp3
G1 G3 G2
hsqcetf3gpxy.2
xy16 y xy16
<rec
1H d1 d26 d26 d26 d26
xy16 <1 xy16
15N
13C
optional
d0 d0
loop loop
GARP
pl16
pp1144 Gz sp3
G1 G1 G3
G2 G2
©2006: Bruker BioSpin , Teodor Parella 126
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D MULTIPLICITY-EDITED HSQC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 127
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Gradient-enhanced form f2 channel
Phase-sensitive ge-2D multiplicity-edited HSQC using z-filter (hsqcedgpph | HSQCEDGPPH) Phase-sensitive ge-2D multiplicity-edited HSQC using echo-antiecho (hsqcedetgp | HSQCEDETGP) Phase-sensitive ge-2D multiplicity-edited HSQC using echo-antiecho and adiabatic pulses (hsqcedetgpsp) Phase-sensitive ge-2D multiplicity-edited HSQC using echo-antiecho and inversion and matched sweep adiabatic pulses (hsqcedetgpsp.3) Phase-sensitive ge-2D multiplicity-edited HSQC using PEP and adiabatic inversion pulses (hsqcedetgpsisp) Phase-sensitive ge-2D multiplicity-edited HSQC using PEP and adiabatic inversion and refocusing pulses (hsqcedetgpsisp.2) Phase-sensitive ge-2D multiplicity-edited HSQC using PEP and adiabatic inversion pulses with gradients in back-inept (hsqcedetgpsisp2) Phase-sensitive ge-2D multiplicity-edited HSQC using PEP and adiabatic inversion and refocusing pulses with gradients in back-inept (hsqcedetgpsisp2.2) Phase-sensitive ge-2D multiplicity-edited HSQC using PEP and inversion, refocusing and matched sweep adiabatic pulses with gradients in back-inept (hsqcedetgpsisp2.3)
Gradient-enhanced form f3 channel
Phase-sensitive ge-2D 1H-15N HSQC-edited using PEP (hsqcedetf3gpsi) Phase-sensitive ge-2D 1H-15N HSQC-edited using PEP with gradients in back-inept (hsqcedetf3gpsi2)
1H d1
y
d4 d4
hsqcedgpph
d4 d4
<lrec
<l1
d0 d0 X
Gz
d21 d21 GARP
pl12
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 128
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1H d1
d4 d4
y p28
hsqcedetgp d4 d4
<lrec
13C
15N
optional
<l1
d0 d0
d21 d21
GARP
pl12
Gz
G2
G1
y
p28
hsqcedetgpsp
<lrec
1H d1
d4 d4 d4 d4
13C
15N
optional
pp1144 sp3
<l1
d0 d0
d21 d21
pp1144 sp3
GARP
pl12
Gz
G2
G1
y
p28
hsqcedetgpsp.3
<lrec
1H d1
d4 d4 d4 d4
13C
<l1
d0 d0
d21 d21
GARP
15N
optional
pp1144 sp3
p31 sp18
p31 sp18
pp1144 sp3
pl12
Gz
G2
G1
©2006: Bruker BioSpin , Teodor Parella 129
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcedetgpsisp
1H d1
y y
d4 d4 p28 d24 d24
d4 d4
<lrec
13C
15N
optional
pp1144 sp3
<l1 d0 d0
d21 d21
'I'
pp1144 sp3
GARP pl12
Gz
G2
G1
hsqcedetgpsisp2
1H
d1
y y
d4 d4 p28 d24 d24
d4 d4
<lrec
13C
15N optional
pp1144 sp3
<l1
d0 d0
d21 d21
'I'
pp1144 sp3
GARP
pl12
Gz
G3 G3 G4 G4 G2 G1
©2006: Bruker BioSpin , Teodor Parella 130
d4
d4
d4
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcedetgpsisp.2
1H
d1 d4
y y
p28 d24 d24
d4 d4
<lrec
13C
Gz
pp1144 sp3
<l1
d0 d0
d21
d21
pp2244 sp7
G1
pp2244 sp7
'I'
pp1144 sp3
GARP
pl12
G2
hsqcedetgpsisp2.2
1H
d1 d4
y y
p28 d24 d24
d4 d4
<lrec
13C
Gz
pp1144 sp3
<l1
d0 d0
d21
d21
pp2244 sp7
pp2244 sp7
'I'
pp1144 sp3
GARP pl12
G3 G3 G4 G4 G2 G1
hsqcedetgpsisp2.3
1H
d1 d4
y y
p28 d24 d24
d4 d4
<lrec
13C
<l1
d0 d0
d21 d21
'I'
GARP
pp1144 p31 p31
pp2244
pp1144 pl12
sp3
Gz
sp18sp18 sp7 sp3
G3 G3 G4 G4 G2 G1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcedetf3gpsi
1H d1
d26
d26
y y p28
d24 d24
d26 d26
<lrec
15N
13C
Gz
optional
<l1 d0 d0 pp1144 sp3
d21 d21 G1
'I'
GARP
pl16 G2
hsqcedetf3gpsi2
y y
<lrec
1H d1
d26
d26 p28
d24 d24
d26 d26
15N
13C
Gz
optional
<l1 d0 d0 pp1144 sp3
d21 d21
'I' GARP
pl16
G3 G3 G4 G4 G2
G1
©2006: Bruker BioSpin , Teodor Parella 132
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D CONSTANT-TIME HSQC AND HMQC
EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 133
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
2D Constant-time Correlations
Phase-sensitive Constant-time ge-2D HSQC
o Using adiabatic pulses (hsqcctetgpsp) o Using adiabatic pulses without CO refocusing (hsqcctetgpsp.2) o Using adiabatic pulses and PEP (hsqcctetgpsisp)
Phase-sensitive Constant-time ge-2D HMQC
o Using adiabatic pulses (hmqcctetgp) o For correlating CH2 groups (hsqcctetgp.2)
Also see hsqcctetgpjc and hsqcctetgpjclr
hsqcctetgpsp
1H d1 d4
y
d4 p28
d4 d4
<lrec
<l1
13C
13CO
p8
sp13
d0 pp1144
d23 pp1144 sp3
d23-d0 p8 sp13
GARP
pl12
15N
sp5 pp1144 sp5
Gz
G1 G2
hsqcctetgpsp.2
1H d1 d4
y
d4 p28
d4 d4
<lrec
<l1
13C
15N
optional
p8 sp13
d0 d23 d23-d0 p8 sp13
GARP
pl12
Gz
G2
G1
©2006: Bruker BioSpin , Teodor Parella 134
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcctetgpsisp
1H d1
y y
d4 d4 p28 d24 d24
d4 d4
<lrec
13C
13CO
15N
p8 sp13
<l1
d0
pp1144 sp5
pp1144 sp3
d23 d23-d0
pp1144 sp5
p8 sp13
GARP
pl12
Gz
G1 G2
©2006: Bruker BioSpin , Teodor Parella 135
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcctetgp
1H d1 d4 d4
d4 d4
<lrec
13C
15N
optional
pp1144 sp3
<l1 d23/2 -d0
d23/2 -d0
d0 d0
pp1144 sp3
GARP
pl12
Gz
G3 G4 G2
G1 G1
hmqcctetgp.2
1H d1 d2 d2
d2 d2
<lrec
13C
15N
optional
<l1 d23/2 -d0
d23/2 -d0
d0 d0
GARP
pl12
Gz
G3 G3 G3 G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 136
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D INVERSE-INEPT EXPERIMENT
©2006: Bruker BioSpin , Teodor Parella 137
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase-sensitive ge-2D Inverse INEPT using echo-antiecho (xhcoetgp)
xhcoetgp
1H d4 d4
13C d1
d0 d0 d3 d3 GARP
pl12
Gz G1
G2
©2006: Bruker BioSpin , Teodor Parella 138
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D SPIN-EDITED HSQC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 139
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
One-bond 1H-15N Couplings
• ge-2D 1H-15N a ,�-HSQC (hsqcetf3gpss)
• ge-2D 1H-15N HSQC-IPAP using watergate (hsqcf3gpiaphwg)
• ge-2D 1H-15N HSQC-IPAP using watergate and sensitivity improvement (hsqcf3gpiaphsiwg)
One-bond 1H-13C Couplings
• 2D H-1/C-13 CT-HSQC (hsqcctetgpjc)
©2006: Bruker BioSpin , Teodor Parella 140
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
HSQC
8N
f2-coupled
8N
8H
8H
f1,f2-coupled
8N
8H
f1-coupled
8N
8H
a,�-HSQC E.COSY TROSY half TROSY/ IPAP
8N 8N 8N 8N
8N 8N
8H 8H
8N 8N
8H 8H 8H
SPIN-STATESELECTIVEEXCITATION
ppm
105
2D HSQC 2D alpha-HSQC 2D beta-HSQC ppm 105
110 110
115 115
120 120
125 125
130
10 9 8 7 ppm 10 9 8 7
ppm 10 9 8 7 6
130 ppm
ppm 118
ppm 118
120 120
122 122
6.3 6.2 6.1 6.0 ppm 6.3 6.2 6.1 6.0 ppm 6.3 6.2 6.1 6.0 ppm
©2006: Bruker BioSpin , Teodor Parella 141
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcetf3gpss
1H d1
d26
d26
y p28 8
d26
d26 8 8
<lrec
<l1 'I'
15N
13C
optional
d0 d0 8 8
GARP
pl16
pp1144 sp3
Gz
G1 G3 G2
ppm
105
2D HSQC 2D F2-coupled HSQC 2D F1-coupled HSQC ppm 105
110 110
115 115
120 120
125 125
130
10 9 8 7 ppm 10 9 8 7
ppm 10 9 8 7 6
130 ppm
ppm 118
120
122
ppm 118 120 122
6.3 6.2 6.1 6.0 ppm 6.3 6.2 6.1 6.0 ppm
6.3
6.2
6.1
6.0
ppm
©2006: Bruker BioSpin , Teodor Parella 142
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcf3gpiaphsiwg
y y y y <l d24 d24
1H
d1
15N
d26
y
d26
-x p11 sp1
<l1 8 d0
d24 d24
y 'I'
-x -x <lrec
GARP
Gz
G1 G2 G2 G3 G3
hsqcf3gpiaphwg
y d26 d26
<lrec
1H d1 d26 d26 y
<l1
-x -x
p11 sp1
15N
13C
8
optional
8 d21/2
d21/2
d0 d0 8 GARP
pl16
p8
Gz sp13
G1 G2 G2 G3 G4 G4 G5 G6 G6
©2006: Bruker BioSpin , Teodor Parella 143
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcctetgpjc
1H d1
y d4 d4
d4 d4
<lrec
<l1
13C
13CO
15N
8 8
pp1144 sp5
d23-d0 pp1144 sp3
d28 d23-d28 d0
pp1144 sp5
GARP
pl12
GARP
pl16
Gz
G1 G2
G3 G4 G5
©2006: Bruker BioSpin , Teodor Parella 144
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D TROSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 145
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
2D TROSY Experiments
From f2 channel:
Phase-sensitive ge-2D TROSY with presaturation (trosygpphpr) ge-2D TROSY for aromatic residues with WATERGATE (trosyargpphwg)
From f3 channel:
Phase-sensitive ge-2D 1H-15N TROSY
o Using echo-antiecho (trosyetf3gpsi | TROSYETF3GPSI) o Using echo-antiecho and different phase cycling (trosyetf3gpsi2) o Using echo-antiecho and different phase cycling to give IPAP TROSY
(trosyetf3gpiasi) o Using WATERGATE (3-9-19) (trosyf3gpph19 | TROSYF3GPPH19) o Using WATERGATE and improved sensitivity (trosyf3gpphsi19 |
TROSYF3GPPHSI19)
Phase-sensitive ge-2D 1H-15N ZQ-TROSY using WATERGATE (trosyzqgpphwg)
1JNH TROSY
H C H H C H
N C C N C C
H H O H H
O
TROSY
8N
8N
8H 8H
©2006: Bruker BioSpin , Teodor Parella 146
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
trosyf3gpph19
1H d1
d26
y y d26 d24 d24 d26 d26
<lrec
<l1 y
15N 8 d0
Gz
G1 G1G2 G3 G3 G4 G4
trosyf3gpphsi19
y -y y <lrec
1H d1
d26 d26 d24 d24 d26 d26
15N
<l1 y
d0
Gz
G1 G1
G2 G2
G3 G3
trosyf3gpphsi19.2
y -y y <lrec
1H d1
d26 d26 d24 d24 d26 d26
15N
<l1 y
d0
13C optional
Gz
p14 sp3
G1 G1 G2 G2 G3 G3
©2006: Bruker BioSpin , Teodor Parella 147
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
trosyetf3gpsi
1H d1
d26
y -y
d26 d24 d24 d26 d26 8 8
<lrec
15N
<l1
y e
d0 d0 8 8
13C optional
Gz
p14 sp3
G1 G1 G3 G3 G4 G4 G5
G2 G2
ppm
105
2D HSQC 2D TROSY 2D half-TROSY ppm 105
110 110
115 115
120 120
125 125
130
10 9 8 7 ppm 10 9 8 7
ppm 10 9 8 7 6
130 ppm
ppm
118
ppm
118
120 120
122
122
6.3 6.2 6.1 6.0 ppm 6.3 6.2 6.1 6.0 ppm 6.3 6.2 6.1 6.0 ppm
©2006: Bruker BioSpin , Teodor Parella 148
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
trosyetf3gpsi2
y -y y y
1H d1
15N
d26
d26
-x
pp1111 sp1
<l1
d0 d0 8
d24
pp2299 sp11
8
d24 d26 d26 8 8
y
<lrec
13C optional
Gz
p8 sp13
G1
G4 G4 G5 G5 G3
G2 G2
trosyetf3gpiasi
y -y y y
1H d1
15N
d26
d26
-x
pp1111 sp1
<l1
d0 d0 8
d24
pp2299 sp11
8
d24 d26 d26 8 8
y
<lrec
13C optional
Gz
p8 sp13
G1
G4 G4 G5 G5 G3
G2 G2
©2006: Bruker BioSpin , Teodor Parella 149
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
trosygpphpr
1 d1
presat d4 pl9
X
y
d4
<l1
8 d0
y
d4 d4
y
d4 d4
<lrec
Gz
G1 G1G2 G3 G3 G4 G4
trosyzqgpphwg
-x d26 d26 <lrec
1H d1 pp1111 sp1-x
d26 d26
<l1
-x -x
y
15N d0
Gz
G1 G1
G2 G2
trosyargpphwg
1H d1 -y d4
-y
d4 d4/2 d4/2
d4 d4
-x -x
<lrec
<l1
Carom d23-d4/2 +d0
d23-d4/2 8 -d0
Gz
G1 G1 G2 G2
G3 G4 G4
©2006: Bruker BioSpin , Teodor Parella 150
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D CRINEPT EXPERIMENT
©2006: Bruker BioSpin , Teodor Parella 151
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
ge-2D 1H-15N CRINEPT using flip-back (crineptgpph)
crineptgpph
1H d1
15N
-x
pp1111 sp1
y
d21 -y
d0
d21
-x
d21
<l1
<lrec
Gz
G1 G2 G2 G2
©2006: Bruker BioSpin , Teodor Parella 152
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMQC-COSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 153
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
2D HMQC-COSY Experiments
Phase cycled:
Magnitude-mode 2D HMQC-COSY using BIRD (hmqcbindqfrl) Phase-sensitive 2D HMQC-COSY using BIRD with decoupling (hmqcbiphrl) Phase-sensitive 2D HMQC-COSY using BIRD without decoupling (hmqcbindphrl) Phase-sensitive 2D HMQC-COSY-DQF using BIRD (hmqcbidfphrl)
Gradient-enhanced:
Magnitude-mode ge-2D HMQC-COSY (hmqcgpqfrl) H2BC experiment with a three-low-pass filter (h2bcetgpl3)
Also see HMQC and HMQC-TOCSY experiments
H H 1JCH
JHH
H H H H
C C C N C C N C
1H d1 d2
hmqcgpqfrl 8 8 d2
y
d4 d4
<lrec
<l1
X d0 d0
Gz
GARP
pl12
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 154
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcbindqfrl
hmqcbindphrl
-x y
1H
d1
d2 d2 d7
d2 d2
<lrec
<ll
d0 d0 X
hmqcbiphrl
-x y
<lrec
1H d1
d2 d2 d7 d2 d2
<ll
d0 d0 X
GARP pl12
hmqcbidfphrl
1H d1
-x d2 d2 d7
d2 d2
<lrec
<ll
d0 d0 X
GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 155
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
h2bcetgp13
y
<lrec
1H d1
d20 d2 d4 d4
<l1
X GARP
Gz
d0 d0 8 8 pp2244 sp7
G1*
G1* G1
GARP
pl12
G1 G1
0.15 0.35
©2006: Bruker BioSpin , Teodor Parella 156
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMQC-TOCSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 157
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Phase-cycled:
Phase-sensitive 2D HMQC-TOCSY (hmqcmlph) Phase-sensitive 2D HMQC-TOCSY without decoupling (hmqcmlndph) Magnitude-mode 2D HMQC-TOCSY using BIRD (hmqcbimlqf) Magnitude-mode 2D HMQC-TOCSY using BIRD without decoupling (hmqcbimlndqf)
Phase-sensitive 2D HMQC-TOCSY using BIRD (hmqcbimlph) Phase-sensitive 2D HMQC-TOCSY using BIRD without decoupling (hmqcbimlndph)
• Phase-cycled and solvent suppression:
Phase-sensitive 2D HMQC-TOCSY with presaturation (hmqcmlphpr) Phase-sensitive2D HMQC-TOCSY with p resaturation and without decoupling (hmqcmlndphpr)
• Gradient-enhanced from f2 channel:
Magnitude-mode ge-2D HMQC-TOCSY with MLEV (hmqcgpmlqf | HMQCGPML) Phase-sensitive ge-2D HMQC-TOCSY with DIPSI -2 using echo-antiecho (hmqcdietgp) Phase-sensitive ge-2D HMQC-TOCSY with DIPSI -2 using PEP (hmqcdietgpsi) Phase-sensitive ge-2D HMQC-TOCSY with DIPSI-2 using PEP using shorter overall timing (hmqcdietgpsi.2)
• Gradient-enhanced from f3 channel:
Phase sensitive ge-2D 1H-15N HMQC-TOCSY with DIPSI -2 using echo-antiecho (hmqcdietf3gp) Phase sensitive ge-2D 1H-15N HMQC-TOCSY with DIPSI -2 using PEP (hmqcdietf3gpsi) Phase sensitive ge-2D 1H-15N HMQC-TOCSY with DIPSI -2 using PEP and shorther overall timing( hmqcdietf3gpsi.2)
©2006: Bruker BioSpin , Teodor Parella 158
H d2 d2
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcmlndph hmqcmlph
1H d1 d2 d2
<ll
d9
MLEV-17 y
p6 pl10
<lrec 1H d1
d2 d2
d9
MLEV-17y
p6 pl10
<lrec
d0 d0 X X
d0 d0
GARP
pl12
hmqcmlndphpr
d1 H presat
pl9
d2 d2
<ll
d9
MLEV-17y
p6 pl10
<lrec
d0 d0 X
hmqcmlphpr
d1 1
presat pl9
d9
MLEV-17y
p6 pl10
d0 d0 X
GARP pl12
1H d1
-x d2 d2 d7
hmqcbimlqf
hmqcbimlph
d2 d2
<ll
d9
MLEV-17
p6 pl10
<lrec
d0 d0
X
GARP pl12
hmqcbimlndqf hmqcbimlndph
-x
d9 <lrec
1H d1
d2 d2 d7 d2 d2
<ll
MLEV-17 y
p6 pl10
d0 d0 X
©2006: Bruker BioSpin , Teodor Parella 159
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H 1JCH
JHH JHH JHH
H H H H
C C C N C C N C
JHH
H H
JHH JHH
H H H H 1JNH
C C C N C C N C
hmqcgpmlqf
1H d1 d2 8 8 d9
d2 8 8 MLEV-17y
<lrec
<l1 p6 pl10
13C
Gz
d0 d0 GARP
pl12
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 160
p14p14
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcdietgp
1H d1
13C
d2
<l1
d2
d0 d0
8 8
y
d9 8 8
DIPSI-2y
p6 pl10
<lrec GARP
15N optional
Gz
pp1144 sp3
pl12
GARP
pl16
G2
G1 G1
hmqcdietgpsi
1H d1
13C
d2
<l1
d0 d0
lf'
8 8
lf'
d2 d2 d2
y
y
d9 8 8
DIPSI-2
p6 pl10
<lrec
GARP
15N
Gz
optional
pp1144 sp3
pl12
GARP
pl16
G2
G1 G1
hmqcdietgpsi.2
1H d1 d4 d4 d4 d4 d4 d4
d9 8 8
DIPSI-2
<lrec
13C
15N
Gz
pp1144 sp3
optional
<l1
d0 d0
lf'
8 8
lf' y
p6 pl10
GARP pl12
GARP pl16
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 161
p14p14
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmqcdietf3gp
1 d1 d21
<l1
d21
y
d9 8 8
DIPSI-2y
<lrec
15N 8 d0 d0 8
GARP pl16
13C optional
Gz
8 8 pp1144 sp3
GARP
pl12
G1 G1
G2 G1 G1
hmqcdietf3gpsi
1H d1
15N
d21
<l1
8
d0 d0
lf'
lf' 8
d21
d21 d21
y
y
d9 8 8
DIPSI-2
p6 pl10
<lrec
GARP
pl16
13C optional
Gz
8 8 pp1144 sp3
GARP
pl12
G1 G1
G2
G1 G1
hmqcdietf3gpsi.2
1H d1
d26
d26 d26 d26 d26 d26
<l1
y
d9 8 8
DIPSI-2
p6
<lrec
15N
13C optional
Gz
8 d0 d0
8 8
pp1144 sp3
lf' lf' y 8
pl10
GARP pl16
GARP pl12
G2
G1 G1
G1 G1
©2006: Bruker BioSpin , Teodor Parella 162
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMQC-ROESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 163
CH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Gradient-enhanced from the f2 channel
Phase-sensitive ge-2D HMQC-ROESY using echo-antiecho (hmqcetgpro) Phase-sensitive ge-2D HMQC-ROESY with T-ROESY using echo-antiecho (hmqcetgpro.2)
• Gradient-enhanced from the f3 channel
Phase-sensitive ge-2D 1H-15N HMQC-ROESY using echo-antiecho (hmqcetf3gpro) Phase-sensitive ge-2D 1H-15N HMQC-ROESY with T-ROESY using echo-antiecho (hmqcetf3gpro.2)
H NOE
H 1J
C
hmqcetgpro
1H
13C
d1 d2
<l1
d2
d0 d0 8 8
p15 pl11 8 8
CW y
<lrec GARP
15Noptional
Gz
pp1144 sp3
pl12
GARP
pl16
1H d1 d2
G1 G1
hmqcetgpro.2
x
d2
G2
p25 pl27
x x x x 8 8
<lrec
13C
15N
Gz
optional
<l1
pp1144 sp3
d0 d0 8 8
-x -x -x -x -x T-ROESY
GARP
pl12
GARP
pl16
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 164
p14p14
p14p14
NH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H NOE
H 1J
N
hmqcetf3gpro
1H d1
15N
d21
<l1
8
d0 d0
d21
8
p15 pl11 8 8
CWy
<lrec
GARP pl16
13C optional
Gz
8 8 pp1144 sp3
GARP
pl12
G1 G1
G2
G1 G1
hmqcetf3gpro.2
p25 pl27
x x x x x
<lrec
1H d1
15N
d21 <l1
8
d0 d0
d21 8 8
-x -x -x -x -x T-ROESY
8
GARP pl16
13C optional
Gz
8 8 pp1144 sp3
GARP pl12
G1 G1
G2
G1 G1
©2006: Bruker BioSpin , Teodor Parella 165
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMQC-NOESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 167
CH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Phase cycled:
Phase-sensitive 2D HMQC-NOESY with presaturation (hmqcnophpr) Phase-sensitive 2D HMQC-NOESY using BIRD (hmqcbinoph)
• Gradient-enhanced from the f2 channel:
Phase-sensitive ge-2D HMQC-NOESY using echo-antiecho (hmqcetgpno)
• Gradient-enhanced from the f3 channel:
Phase-sensitive ge-2D 1H-15N HMQC-NOESY using echo-antiecho (hmqcetf3gpno)
H NOE
H 1J
C
hmqcnophpr
1H d1
presat
pl9
d2 d2 d8 presat
<ll
<lrec
X d0 d0 GARP
pl12
hmqcbinoph
1H d1
-x
d2 d2 d7
d2 d2 d8
<lrec
<ll
d0 d0 X
GARP
pl12
©2006: Bruker BioSpin , Teodor Parella 168
p14p14
NH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H NOE
H 1J
N
hmqcetgpno
1H d1 d2
d2 d8
<lrec o o
13C
15N
<l1
pp1144 sp3
d0 d0 o o
GARP
pl12
optional GARP
pl16 Gz
G3 G2
G1 G1
hmqcetf3gpno
1H d1 d21
d21 d8 o o
<lrec
15N
13C optional
Gz
<l1
o
d0 d0 o
o o
pp1144 sp3
GARP pl16
GARP
pl12
G1 G1
G1 G1
G3 G2
©2006: Bruker BioSpin , Teodor Parella 169
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HSQC-TOCSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 171
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Gradient-enhanced from the f2 channel
Phase sensitive ge-2D HSQC-TOCSY with MLEV using z-filter (hsqcgpmlph | HSQCGPMLPH) Phase-sensitive ge-2D HSQC-TOCSY with MLEV using echo-antiecho (hsqcetgpml | HSQCETGPML) Phase-sensitive ge-2D HSQC-TOCSY with DIPSI-2 using PEP (hsqcdietgpsi) Phase-sensitive ge-2D HSQC-TOCSY with DIPSI-2 using PEP and adiabatic inversion pulses (hsqcdietgpsisp | HSQCDIETGPSISP) Phase-sensitive ge-2D HSQC-TOCSY with DIPSI-2 using PEP and adiabatic inversion and refocusing pulses (hsqcdietgpsisp.2)
Gradient-enhanced with editing from the f2 channel
Phase sensitive ge-2D HSQC-TOCSY using PEP with editing of multiplicity (hsqcdiedetgpsisp.1) Phase sensitive ge-2D HSQC-TOCSY using PEP with editing of direct responses (hsqcdiedetgpsisp.2) Phase sensitive ge-2D HSQC-TOCSY using PEP with editing of multiplicity and direct responses (hsqcdiedetgpsisp.3)
Gradient-enhanced from the f3 channel
Phase sensitive ge-2D 1H-15N HSQC-TOCSY with MLEV using echo-antiecho (hsqcetf3gpml) Phase sensitive ge-2D 1H-15N HSQC-TOCSY with DIPSI-2 using PEP (hsqcdietf3gpsi | HSQCDIETF3GPSI)
Also see HSQC-TOCSY type experiments for nJCH measurements
©2006: Bruker BioSpin , Teodor Parella 172
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H 1JCH
JHH JHH JHH
H H H H
C C C N C C N C
hsqcgpmlph
1H d1 d4
y
d4 p28 p28
d4 d4
d9
MLEV-17 8 8
<!rec
X 8 8 8
Gz
d0 d0 c
pl10
GARP
pl12
G1 G2 G3
hsqcetgpml
1H d1
13C
d4 d4
y p28
<!1
d0 d0 8 8
d4 d4
d9
MLEV-17 8 8 p6 pl10
<!rec GARP
pl12
15N optional
Gz
G1
GARP
pl16 G2
©2006: Bruker BioSpin , Teodor Parella 173
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcdietgpsi
y y
d9 <!rec 1H d1
13C
15N
d4 d4 p28
<!1
d0 d0 8 8
d24 d24
\f
d4 d4 8 8 DIPSI-2 (y)
p6 pl10
GARP
pl12
optional
Gz
GARP
pl16
G2 G1
ppm
20
30
40
50
60
9.5 9.0 8.5 8.0 7.5 7.0 ppm
©2006: Bruker BioSpin , Teodor Parella 174
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcdietgpsisp
y y d9 <!rec
1H d1
13C
d4 d4
pp1144 sp3
p28
<!1
d0 d0 8 8
d24 d24
\f
d4 d4
pp1144 sp3
8 8 DIPSI-2 (y)
p6 pl10
GARP
pl12
15N
Gz
optional
GARP
pl16
G2 G1
hsqcdietgpsisp.2
y y
d9 <!rec 1H
d1
13C
Gz
d4 d4
pp1144 sp3
p28
<!1
d0 d0
8 8 pp2244 sp7
d24 d24
\f
pp2244 sp7
d4 d4
pp1144 sp3
8 8 DIPSI-2 (y)
p6 pl10
GARP
pl12
G2
G1
©2006: Bruker BioSpin , Teodor Parella 175
p24p24 p24p24
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hsqcdiedetgpsisp.1
y y
d9 <!rec 1H d1
13C
Gz
d4 d4
pp1144 sp3
p28
<!1
d0 d0
d21
pp2244 sp7
d21
d24 pp2244 sp7
d24
\f
d4 d4
pp1144 sp3
8 8 DIPSI-2 (y)
p6 pl10
GARP
pl12
G2
G1
hsqcdiedetgpsisp.2
y y d9 <!rec
1H d1
13C
Gz
d4 d4
pp1144 sp3
p28
<!1
d0 d0
8 8 pp2244 sp7
d24 pp2244 sp7
d24
\f
d4 d4
pp1144 sp3
DIPSI-2 (y)
p6 pl10
d2 d2
pp1144 sp3
GARP
pl12
G2
G1
hsqcdiedetgpsisp.3
y y d9 <!rec
1H d1
13C
Gz
d4 d4
pp1144 sp3
p28
<!1
d0 d0
d21
pp2244 sp7
d21
d24 pp2244 sp7
d24 d4
\f
d4
pp1144 sp3
DIPSI-2 (y)
p6 pl10
d2 d2
pp1144 sp3
GARP
pl12
G2
G1
©2006: Bruker BioSpin , Teodor Parella 176
15 •
13 tO • '.23 • • tt • ••
0
Pulse Program Catalogue NMRGuide 4.1- Topspin 2.0
RUKER IOSPIN
22
17 •
17
...... •
ppm
.. <10
.... 1<1 • D • • 30
11 ...
28 .... • • • "" • so
8,16 c . . • • .. a) ... 60
12 • • • •
red: D.irect Peaks
Black: TOCSY peaks
70 80
90
100 110 120
22 ta> " 130
6.0 5.5 5.0 <1.5 <1.0 3.5 3.0 2.5 2.0 1.5 ppm
A) B) C) D) !:)
ppm.
6 0 • • •
2 a :: 65
a 70
75
80
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
JHH
H H
JHH JHH
H H H H 1JNH
C C C N C C N C
hsqcetf3gpml
1H d1
15N
13C
d26
d26
y p28
8
<!1
d0 d0
d26 d26
8 8
d9
MLEV-17 8 8
p6 pl10
<!rec GARP
pl16
optional
Gz
pp1144 sp3
G1
G2
GARP pl12
G3
hsqcdietf3gpsi
y y
p28
d9 <!rec
1H d1
15N
13C
d26 d26 <!1 8
d0 d0 8 8
d24 d24 d26 d26
\f
8 8 DIPSI-2 (y)
p6 pl10
GARP
pl16
optional
Gz
pp1144 sp3
GARP
pl12
G1 G3
G2
©2006: Bruker BioSpin , Teodor Parella 178
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HSQC-ROESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 179
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Gradient-enhanced from the f2 channel
Phase-sensitive ge-2D HSQC-ROESY using echo-antiecho and adiabatic pulses (hsqcetgprosp | HSQCETGPROSP) Phase-sensitive ge-2D HSQC-ROESY using echo-antiecho and adiabatic pulses with T- ROESY(hsqcetgprosp.2)
• Gradient-enhanced from the f3 channel
Phase-sensitive ge-2D 1H-15N HSQC-ROESY using echo-antiecho (hsqcetf3gpro) Phase-sensitive ge-2D 1H-15N HSQC-ROESY with T-ROESY using echo-antiecho (hsqcetf3gpro.2)
©2006: Bruker BioSpin , Teodor Parella 180
CH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H NOE
H 1J
C
hsqcetgprosp
1H d1
13C
d4 d4
pp1144 sp3
y p28
<!1
d0 d0
d4 d4
pp1144 sp3
p15 pl11
CW
<!rec GARP
pl12
15N
Gz
optional
G1
GARP
pl16 G2
1H d1
d4 d4
y p28
hsqcetgprosp.2
d4 d4
p25 pl27
x x x x x
<!rec
13C
15N
Gz
optional
pp1144 sp3
<!1
d0 d0
G1
pp1144 sp3
-x -x -x -x -x T-ROESY
GARP
pl12
GARP
pl16 G2
©2006: Bruker BioSpin , Teodor Parella 181
NH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H NOE
H 1J
N
hsqcetf3gpro
1H d1
d26
y
d26 p28 d26 d26
<!1
p15 pl11
CW
<!rec
15N
13C
Gz
optional
d0 d0
pp1144 sp3
G1
G2
GARP
pl16
GARP pl12
G3
y
p28
hsqcetf3gpro.2 p25 pl27
x x x x x
<!rec
1H d1
15N
13C
d26 d26 d26 d26
<!1
d0 d0
-x -x -x -x -x
T-ROESY
GARP pl16
optional
Gz
pp1144 sp3
G1
G2
GARP
pl12 G3
©2006: Bruker BioSpin , Teodor Parella 182
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HSQC-NOESY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 183
CH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• Gradient-enhanced from the f2 channel
Phase-sensitive ge-2D HSQC-NOESY using echo-antiecho and adiabatic pulses (hsqcetgpnosp | HSQCETGPNOSP)
• Gradient-enhanced from the f3 channel
Phase-sensitive ge-2D 1H-15N HSQC-NOESY using echo-antiecho (hsqcetf3gpno | HSQCETF3GPNO) Phase-sensitive ge-2D 1H-15N HSQC-NOESY using XY16 and WATERGATE (hsqcf3gpnowgxy)
H NOE
H 1J
C
hsqcetgpnosp
1H d1
d4 d4
y p28
d4 d4 d8
qorec
8 8
13C
15N optional
Gz
pp1144 sp3
qo1 d0 d0 8 8
G1
pp1144 sp3
G3 G2
GARP
p112
GARP
p116
©2006: Bruker BioSpin , Teodor Parella 184
NH
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H NOE
H 1J
N
hsqcetf3gpno
1H d1
d26
d26
y p28 8
d26 d26 d8
qorec
8 8
qo1
15N
13C optional
Gz
d0 d0 8 8
pp1144 sp3
G1
G2
G4 G3
GARP
p116
GARP
p112
hsqcf3gpnowgxy
1H d1
d26
xy16 y
d26 8
xy16 d26 d26
-x -x -x
d8
qorec
15N
xy16
qo1
d0 d0 £ 8
xy16
pp2299 sp11
pp1111 sp1
GARP
13C
Gz
optional
loop loop
p8 sp13
pl16
GARP
pl12
G1 G1 G2 G3 G3
©2006: Bruker BioSpin , Teodor Parella 185
· ..
35
4
Pulse Program Catalogue NMRGuide 4.1 -Topspin 2.0
RUKER IOSPIN
14 17
ppm
1'
t
€1 ft
oO ,. •
25
30
..,. 40
€) ooo · 45
I •• ' so
•• f3 55
() 10 60 8,16
2J
& 0 65
9 q ,, 70
12 oa cy 75
80
4.0 3.5 3.0 2.5 2.0 l.S ppm
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D HMBC EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 187
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Phase cycled:
Magnitude-mode 2D HMBC using low-pass J-filter (hmbclpndqf | HMBCLPND) Magnitude-mode 2D HMBC with presaturation (hmbcndprqf) Magnitude-mode 2D HMBC with off-resonance presaturation (hmbcndpsqf)
Gradient-based:
Magnitude-mode ge-2D HMBC (hmbcgpndqf | HMBCGPND) Magnitude-mode ge-2D HMBC using low-pass J-filter (hmbcgplpndqf | HMBCGPLPND) Magnitude-mode ge-2D HMBC using double low-pass J-filter (hmbcgpl2ndqf)
Magnitude-mode band-selective ge-2D HMBC without decoupling (shmbcgpndqf)
Magnitude-mode CIGAR-HMBC without decoupling (hmbcacgplpndqf) Magnitude-mode CIGAR-HMBC with decoupling (hmbcacgplpqf) ge-2D 2J,3J HMBC, STAR-HMBC (hmbcacbigpl2ndqf) ge-2D HSMC (hmscetgpnd)
Also see:
o Measurement of long-range proton-carbon coupling constants o 2D COLOC Experiment o ADEQUATE Experiments
©2006: Bruker BioSpin , Teodor Parella 188
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H H H H H
C C C N C C N C
3JCH
2JCH
hmbclpndqf
1H d1 d2 <Drec
X d6 d0 d0
hmbcndprqf
1 d1
presat pl9
d6
<Dl
<Drec
X d0 d0
hmbcndpsqf
1H d1
off-reson. presat ppll88
X sp6 l6
d6
<Dl
d0 d0
<Drec
©2006: Bruker BioSpin , Teodor Parella 189
H
1
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmbcgpndqf
1 d1 d6
<Drec 8
<Dl
X d0 d0
Gz
G1 G2 G3
hmbcgplpndqf
H d1 d2 <Drec
8
<Dl
X d6 d0 d0
Gz
G1 G2 G3
hmbcgpl2ndqf
1H d1 <Drec
8
<Dl
X l d6 d0 d0
Gz
G4 G5 G6
G1 G2 G3
shmbcgpndqf
H d1 d6 8
90º selective
X d0 d0
pp1111 sp1
Gz
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 190
1
z
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmbcacgplpqf
H d1 <Drec
X l
k*d0
G G8
d6-k*d0
<Dl
d0 d0
d6
GARP
pl12
G4 G4
G5 G6 G7 G8
G1 G2 G3
hmbcacgplpndqf
-x
H d1
<Drec 8
pp1144 sp3
X l
pp1144 sp3
<Dl
d0 d0
k*d0
Gz
d6-k*d0
G4 G4
G5 G6 G7 G8
G9 G10
G11
G11
G1 G2 G3
hmbcacbigpl2ndqf
1H d1 8 d2 d2 8 8
<Drec
d28+
d20
d20
d28+
<Dl d6
X l Kd0/2
kd0
p14 sp3
Gz
kd0 -kd0 G7
p14 sp3
-kd0
p14 sp3
G8
Kd0/2 -kd0 d0 d0
G4 G5 G6 G7 G8
G1 G2 G3
©2006: Bruker BioSpin , Teodor Parella 191
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmscetgpnd
1H d1
d6/2 d2
<D1
d2
d6/2 d2
<Drec
13C <D1
d0
d0 8 8
pp1144 sp3
Gz
pp1144 sp3
pp2244 sp7
G1 G1
©2006: Bruker BioSpin , Teodor Parella 192
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D EXPERIMENTS TO MEASURE LONG-RANGE PROTON-CARBON
COUPLING CONSTANTS
©2006: Bruker BioSpin , Teodor Parella 193
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
ge-2D HMBC-type experiments
Phase-sensitive ge-2D HMBC using echo-antiecho (hmbcetgpnd) Phase-sensitive ge-2D HMBC using a two-fold low-pass J-filter (hmbcetgpl2nd)
Phase-sensitive ge-2D CT-HMBC using echo-antiecho (hmbcctetgpnd)
ge-2D J-HMBC using a two-fold low-pass J-filter (hmbcetgpjcl2nd)
Long-range optimized ge-2D HSQC
Phase-sensitive ge-2D long-range optimized HSQC (HSQMBC) (hsqcetgplrsp) Phase-sensitive ge-2D long-range optimized HSQC using G-BIRD (GBIRD-HSQMBC) (hsqcetgpjclrnd) ge-2D long-range optimized J-HSQC (EXSIDE) (hsqcetgplrjcsp)
ge-2D HSQC-TOCSY type experiments
ge-2D w1-filtered TOCSY using DIPSI-2 (HETLOC) (dipsi2etgpjcsix1) Phase-sensitive ge-2D HSQC-HECADE (hsqcdietgpjcndsisp)
Also see 2D HMBC and 2D HSQC-TOCSY experiments
HSQC-TOCSY HMBC
H H 1JCH
JHH JHH H H
H H H H
C C C N C C C C N C
3JCH 2JCH
Others: HMQC-TOCSY, HECADE, HETLOC Two steps: 1JCH + JHH Only for protonated carbons In-phase Magnetization
Others: HSQMBC, EXSIDE, J-HMBC A single step: nJCH For all carbons Anti-phase Magnetization
©2006: Bruker BioSpin , Teodor Parella 194
H
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
HA
J-scaling factor of N
N*nJ(HA-CB) CB oC
oH
hmbcetgpjcl2nd
1 d1 d6/2-d0
<Drec
X d6/2-(1+n)*d0
n*d0
<D
d0
d0 o o
pp1144 sp3
z
pp2244 sp7
G3 G4 G5
G1 G1
ppm 0
50
100
150
200
8 7 6 5 4 3 2 ppm
©2006: Bruker BioSpin , Teodor Parella 195
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
HA
J-scaling factor of N
N*nJ(HA-CB) CB oC
oH
hsqcetgplrjcsp
135º 45º
d6/4+
d6/4+
d6/4+
y d6/4+
<Drec
1H d1
13C
Gz
d2 d2
pp1144 sp3
o n*d0
pp1122 sp2 pp1144 sp3
n*d0
n*d0 pp1122 sp2 pp1144 sp3
n*d0
<D1
d0 d0
o o pp2244 sp7
d6/4 pp1122 sp2 pp1144 sp3
d6/4 d6/4 d6/4
pp1122 sp2
GARP
pl12
G3 G4 G4 G5 G5 G6 G1 G2 G4 G4 G5 G5
©2006: Bruker BioSpin , Teodor Parella 196
z
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
hmbcetgpnd
1H d1 d6 <Drec
CB oC
13C
<D1
d0
d0 o o
HA G oH
pp2244 sp7
G1 G1
hmbcetgpl2nd
1H d1 <Drec
13C
<D d6 d0 d0 o o
pp2244 sp7
Gz
G3 G4 G5
G1 G1
hmbcctetgpnd
1H d1 d6+T-d0 T-d0 <Drec
13C <D1
d0
d0 o o
pp2244 sp7
Gz
G1 G1
©2006: Bruker BioSpin , Teodor Parella 197
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
CB oC
HA
oH
hsqcetgplrsp
1H d1 d6/2 d6/2 o o
13C
o d0
d0 o o
pp1144 sp3
Gz
pp2244 sp7
G3 G2
G1 G1
hsqcetgpjclrnd
1H d1
d6/2 d2 d2
d6/2 p28 o o o
13C
d0 d0 o o
pp1144 sp3
Gz
pp2244 sp7
G3 G3 G4 G2 G1
©2006: Bruker BioSpin , Teodor Parella 198
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
TOCSY
HA oH HB
J-scaling factor of N 1J(HA-CA) HA oH
1J(HA-CA) nJ(HB-CA)
dipsi2etgpjcsix1
1H d1
y d4 d4 o
d4 d4 d0
o d2
d2 o (1-k) kd0
-x d9
o o o
<Drec
13C
<D1
d0 DIPSI-2 (y)
p6 pl10
pp1144 sp3
Gz G2
G1
pp1144 sp3
G2
pp1144 sp3
pp1144 pp1144 sp3 sp3
G3 G3
ppm
1
2
3
4
5
6
7
8
8 7 6 5 4 3 2 1 ppm
©2006: Bruker BioSpin , Teodor Parella 199
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
TOCSY
HA oH HB
J-scaling factor of N 1J(HA-CA) CA oC
1J(HA-CA) nJ(HB-CA)
hsqcdietgpjcndsisp
1H d1
y y
d4 d4 d24 d24 d4
<D1
d0
d4 d2 d2
d0
d9
DIPSI-2 (y) o o
p6 pl10
<Drec
13C o d0 d0 o o
pp1144 sp3
Gz
pp2244 sp7
pp2244 sp7
pp1144 sp3
pp1144 sp3
pp1144 sp3
G3 G2
G1
ppm
40
60
80
100
120
140
7 6 5 4 3 2 ppm
©2006: Bruker BioSpin , Teodor Parella 200
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
2D ADEQUATE EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 201
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• 1,1-ADEQUATE:
Phase-sensitive 1,1 ADEQUATE ( adeq11etgp ) Phase-sensitive 1,1 ADEQUATE using adiabatic pulse ( adeq11et gpsp) Phase-sensitive 1,1 ADEQUATE with refocusing ( adeq11etgprd ) Phase-sensitive 1,1 ADEQUATE with refocusing using adiabatic pulse ( adeq11etgprdsp )
• 1,n-ADEQUATE:
Phase-sensitive 1,n ADEQUATE ( adeq1netgp)
• n,1-ADEQUATE:
Phase-sensitive n,1 ADEQUATE ( adeqn1etgp)
• n,n-ADEQUATE:
Phase-sensitive n,n ADEQUATE ( adeqnnetgp)
©2006: Bruker BioSpin , Teodor Parella 202
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
H H H H H
H 1JCH
C C C C C C C C 1JCC
H H H H H
H 1JCH
C C C C C C C C 2JCC
H H H H H
H 1JCH
C C C C C C C C 3JCC
2JCH
H H H H H H
C C C C C C C C 1JCC
3JCH
H H H H H H
C C C C C C C C 1JCC
3JCH
H H H H H H
C C C C C C C C 2JCC
3JCH
H H H H H H
C C C C C C C C 3JCC
©2006: Bruker BioSpin , Teodor Parella 203
1
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
adeq11etgp
y y
<lrec
1H d1 d4 d4 d24 d24 d4 d4 8 8
13C <l1 60º
d23
Gz
d23 d0 d0 8 8 d23 d23 GARP
p112
G1 G2
G3
adeq11etgpsp y y
<lrec
H d1 d4 d4 d24 d24 d4 d4 8 8
13C <l1 60º
pp1144 sp3
z
d23 pp2244 sp7
d23 d0 d0 8 8 pp2244 sp7
d23 d23
pp2244 sp7
pp2244 sp7
pp1144 sp3
GARP
p112
G1 G2
8 10 9
3' 1 OH 7 6 4 3 5 2 6' 4'
ppm 40
50
60
70
80 DQC
90
100
110
120
3.0 2.5 2.0 1.5 1.0 ppm
©2006: Bruker BioSpin , Teodor Parella 204
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
adeq11etgprd
y y
<lrec
1H d1 d4 d4 d24 d24 d4 d4 8 8
13C
<l1
d23
d23
120º
d0 d0 d23-d0
d23 d0 8 8 GARP
p112
Gz
G1 G2
G3
adeq11etgprdsp
y y
<lrec
1H d1 d4 d4 d24 d24 d4 d4 8 8
13C
<l1
d23
d23
120º
pp1144 sp3
z
pp2244 sp7
d0 d0 8 8
pp2244 sp7
d23-d0 pp2244 sp7
d23 d0 pp2244 sp7
pp1144 sp3
GARP
p112
G1 G2
G3
8 10 9
3' 1 OH 7 6 4 3 5 2 6' 4'
ppm
20
30
40
50
60
70
3.0 2.5 2.0 1.5 1.0 ppm
©2006: Bruker BioSpin , Teodor Parella 205
1
H
H
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
adeq1netgp
y y
<lrec
1H d1 d4 d4 d24 d24 d4 d4 8 8
13C
Gz
p28 <l
d23
d23
d0 d0 8
60º 8 d23 d23
GARP
p112
G1 G2
G3
adeqn1etgp
1 d1 d2
<lrec
8
13C <l1 60º
d6-d2 d23 d23 8 d0 d0 8 d23 d23
Gz
G1 G2
adeqnnetgp
1 d1 d2
<lrec
8
13C <l1 60º
d6-d2 d23 d23 8 d0 d0 8 d23 d23
Gz
G1 G2
©2006: Bruker BioSpin , Teodor Parella 206
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
DIFFUSION/DOSY EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 207
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Conventional 1D:
1D Stimulated Echo experiment (STE) (stegp1s1d) 1D Stimulated Echo experiment using bipolar gradients (stebpgp1s1d) 1D LED experiment (ledgp2s1d) 1D LED experiment using bipolar gradients (ledbpgp2s1d) 1D Double-Stimulated Echo Experiment (DSTE) (dstegp3s1d) 1D Double-Stimulated Echo Experiment (DSTE) using bipolar gradients (dstebpgp3s1d)
1D Stimulated Echo experiment using bipolar gradients and WATERGATE (stebpgp1s191d)
1D STE-INEPT experiment (stebpgpin1s1d)
2D DOSY maps:
2D Stimulated Echo experiment (STE) (stegp1s) 2D Stimulated Echo experiment using bipolar gradients (stebpgp1s)
2D Double-Stimulated Echo Experiment (DSTE) (dstegp3s) 2D Double-Stimulated Echo Experiment (DSTE) using bipolar gradients (dstebpgp3s) 2D LED experiment (ledgp2s) 2D LED experiment using bipolar gradients (ledbpgp2s)
2D Stimulated Echo experiment using bipolar gradients and WATERGATE (stebpgp1s19)
2D STE-INEPT experiment (stebpgpin1s)
2D & 3D DOSY related experiments:
3D DOSY-COSY using LED with bipolar gradients (ledbpgpco2s3d)
2D DOSY-TOCSY with LED using bipolar gradients (ledbpgpml2s2d) 2D DOSY-TOCSY with LED using bipolar gradients and WATERGATE (ledbpgpml2s192d) 3D DOSY-TOCSY using LED with bipolar gradients (ledbpgpml2s3d)
3D DOSY-NOESY using LED with bipolar gradients (ledbpgpno2s3d)
©2006: Bruker BioSpin , Teodor Parella 208
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stegp1s
stegp1s1d
stebpgp1s stebpgp1s1d
1H d1
Gz
d20
1H d1
Gz
d20
G6 G7 G6 G6 G7 G6
G6 G6
ledgp2s ledgp2s1d ledbpgp2s
ledbpgp2s1d
1H d1
Gz
d20
d21
1H d1
G
d20
d21
G6 G7 G6 G8
z
G6 G7 G6 G8
G6 G6
dstegp3s
dstegp3s1d
1H d1 d21
d20
Gz
d20
dstebpgp3s
G6 G7 G6 G6 G8 G6 G9 dstebpgp3s1d
1H d1 d21
d20
Gz G6
G6 G7 G6 G6
d20
G6G6 G6
G8 G6 G9
©2006: Bruker BioSpin , Teodor Parella 209
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Peak
intensity
Gyromagnetic Constant
Diffusion Time (d20)
Gradient Duration
(p30)
I=Ioexp(-Dy 2g2 2( - /3))
Initial Peak
intensity
Diffusion
Coefficient
Applied Gradient
g=Gmax*gpz6
ln(I/Io )=-Dy2g2 2( - /3)
Stokes-Einstein Equation
Diffusion Coefficient
D=KT/6rrYRH
Hydrodinamic radius
Boltzmann Constant
Temperature Viscosity
ppm
-9.7
-9.6
-9.5
-9.4
-9.3
-9.2
-9.1
-9.0
-8.9
7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 ppm
©2006: Bruker BioSpin , Teodor Parella 210
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stebpgp1s19 stebpgp1s191d
1H d1
d20
Gz
G6 G7 G6
G6
G1 G1
G6
stebpgpin1s1d stebpgpin1s
1H d1
13C
d20
d4 d4 d3 d3 CPD pl12
Gz
G6 G7 G6
G6 G6
©2006: Bruker BioSpin , Teodor Parella 211
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
ledbpgpco2s3d
1H d1 d21 d0
d20
Gz
G6 G7 G6 G8
G1G1
G6 G6
ledbpgpml2s3d ledbpgpml2s2d
1H d1
Gz
d20
d21 d0
d9
MLEV-17
p6 pl10
G6 G7 G6 G8
G6 G6
ledbpgpml2s192d
1H d1
Gz
d20
d21 d0
d9
MLEV-17
p6 pl10
G6 G7 G6 G8 G1 G1
G6 G6
ledbpgpno3s3d
1H d1
Gz
d20
d21 d0
d8
G1
G6 G7 G6 G8 G1
G6 G6
©2006: Bruker BioSpin , Teodor Parella 212
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
1D & 2D SATURATION TRANSFER DIFFERENCE (STD) EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 213
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
• 1D STD:
1D STD (stddiff) 1D STD with spoil (stddiff.2) 1D STD with spoil and T2 filter (stddiff.3)
• 1D STD with solvent suppression:
1D STD using 3-9-19 WATERGATE (stddiffgp19) 1D STD with spoil using 3-9-19 WATERGATE (stddiffgp19.2) 1D STD with spoil and T2 filter using 3-9-19 WATERGATE (stddiffgp19.3)
1D STD using excitation scultping (stddiffesgp) 1D STD with spoil using excitation scultping (stddiffesgp.2) 1D STD with spoil and T2 filter using excitation scultping (stddiffesgp.3)
• 2D STD-TOCSY:
2D STD-TOCSY (stdmlevph) 2D STD-TOCSY using 3-9-19 WATERGATE (stdmlevgpph19) 2D STD-TOCSY using excitation sculpting (stdmlevesgpph)
• 2D STD-NOESY:
2D STD-NOESY with T2 filter in F2 (stdnoesygpph) 2D STD-NOESY with T2 filter in F1 and F2 (stdnoesygpph.2) 2D STD-NOESY using 3-9-19 WATERGATE with T2 filter in F2 (stdnoesygpph19) 2D STD-NOESY using 3-9-19 WATERGATE with T2 filter in F1 and F2 (stdnoesygpph19.2) 2D STD-NOESY using excitation sculpting with T2 filter in F2 (stdnoesyesgpph) 2D STD-NOESY using excitation sculpting with T2 filter in F1 and F2 (stdnoesyesgpph.2)
• 2D STD-HSQC:
2D STD-HSQC using echo-antiecho (stdhsqcetgpsp) 2D STD-HSQC with sensitivity-improvement (stdhsqcetgpsisp)
©2006: Bruker BioSpin , Teodor Parella 214
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stddiff
Selective saturaton
f2 channel
90º p13
time d20
sp3 stddiff.2
f1 channel
l5 90º
d1
f2 channel
f1 channel
y
p17 pl10
Selective 90º
p13 sp3
l5
d1
saturaton time d20
90º
stddiff.3 z
f2 channel
f1 channel
Gz
y
p17 pl10
Selective 90º
p13 sp3
l5
d1
G1 saturaton
time d20
90º
CW
p29 pl29
G1
8 7 6 5 4 3 2 1 ppm
©2006: Bruker BioSpin , Teodor Parella 215
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stddiffgp19
Selective saturaton
f2 channel
f1 channel
90º
p13 sp3
l5 d1
90º
time d20
Gz
G1 G1
stddiffgp19.2
Selective saturaton
f2 channel
y
90º p13 sp3
l5
90º
time d20
f1 channel
Gz
d1 p17 pl10
G1 G2 G2
stddiffgp19.3
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
CW
p29 pl29
G1 G2 G2
©2006: Bruker BioSpin , Teodor Parella 216
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stddiffesgp
Selective saturaton
f2 channel
f1 channel
Gz
90º
p13 sp3
l5
d1
90º
time d20
-x -x
pp1122 sp1
G1 G1G2 G2
stddiffesgp.2
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
-x -x
pp1122 sp1
G1 G2 G2G3 G3
stddiffesgp.3
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
CW
p29 pl29
-x -x
pp1122 sp1
G1 G2 G2G3 G3
©2006: Bruker BioSpin , Teodor Parella 217
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stdmlevph
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
d9
MLEV-17
p6 pl10
G1
stdmlevgpph19
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
d9
MLEV-17
p6 pl10
G1 G2 G2
stdmlevesgpph
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
d9
MLEV-17
p6 pl10
-x -x
pp1122 sp1
G1 G2 G2G3 G3
©2006: Bruker BioSpin , Teodor Parella 218
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stdnoesygpph
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
CW
p29 d8 pl29
G2
G1 G2
Selective
stdnoesygpph.2
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
saturaton time d20
90º
d0 CW
p29 pl29
CW p29
d8 pl29
G2
G1 G2
©2006: Bruker BioSpin , Teodor Parella 219
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stdnoesygpph19
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
CW p29
d8 pl29
G2
G1 G2 G3 G3
Selective
stdnoesygpph19.2
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
saturaton time d20
90º
d0 CW
p29 pl29
CW p29
d8 pl29
G2
G1 G2 G3 G3
©2006: Bruker BioSpin , Teodor Parella 220
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
stdnoesyesgpph
Selective saturaton
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
90º
time d20
d0
CW p29
d8 pl29
G2
-x -x
pp1122 sp1
G1 G2
G3 G3G4 G4
Selective
stdnoesyesgpph.2
f2 channel
f1 channel
Gz
y
p17 pl10
90º
p13 sp3
l5
d1
saturaton time d20
90º
d0 CW
p29 pl29
CW p29
d8 pl29
G2
-x -x
pp1122 sp1
G1 G2
G3 G3G4 G4
©2006: Bruker BioSpin , Teodor Parella 221
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
Selective 90º
stdhsqcetgpsp
saturaton time d20
1H d1
p13 sp3
l5
d4 d4
y
p28
d4 d4
<lrec
13C
Gz
pp1144 sp3
<l1 d0 d0
pp2244 sp7
pp1144 sp3
GARP
pl12
G2
G1
Selective
90º
stdhsqcetgpsisp
p13 sp3 y y
l5
<lrec
1H d1 d4 d4 p28 d24 d24 d4 d4
13C
Gz
pp1144 sp3
<l1 d0 d0
pp2244 sp7
pp2244 sp7
'I'
pp1144 sp3
GARP pl12
G2
G1
©2006: Bruker BioSpin , Teodor Parella 222
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
CLEANEX EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 223
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1D CLEANEX using 3-9-19 WATERGATE (zgcxgp19) 1D CLEANEX using excitation sculpting (zgcxesgp) 2D CLEANEX-Fast HSQC using 3-9-19 WATERGATE (fhsqccxf3gpph) 2D CLEANEX-TROSY using 3-9-19 WATERGATE (trosycxf3gpphsi19)
zgcxgp19
1H d1
Gz
Selective H2O 180º
o o
p7 sp21
p10 pl27 d31
Selective H2O 90º
o o p15 sp22
G1 G1 G2 G2
zgcxesgp
Selective H2O 180º
Selective H2O 90º
-x -x
1H d1
o o
p7 p10
p15
o o o o pp1122
sp21
Gz
pl27 d31
sp22 sp1
G1 G1 G2 G2G3 G3
©2006: Bruker BioSpin , Teodor Parella 224
G
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
fhsqccxf3gpph
1H d1
15N
13C
Selective H2O 180º
o o
p7 sp21
p10 pl27 d31
d26
d26
y
<D1
o
d0 d0
-x
d26 d26
o
<Drec GARP
pl16
optional
pp1144 sp3
z
G4 G4 G1 G1 G2 G2 G3 G3
trosycxf3gpphsi19
Selective
H2O 180º
y -y y
<Drec
1H d1 o o
p7 p10
d26 d26 d24 d24 d26 d26
15N
sp21 pl27 d31
<D1 y
d0
Gz
G4 G4 G1 G1
G2 G2
G3 G3
©2006: Bruker BioSpin , Teodor Parella 225
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
LC-NMR EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 227
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1D 1H spectrum
o 1D 1H with double presaturation (lc1prf2 | LC1D12) o 1D 1H with triple presaturation (lc1prft) o 1D 1H with WET (wet) o 1D 1H with WET and CW decoupling on f2 during WET and ACQ ( wetdc | LC1DWTDC) o 1D 1H with WET and CW decoupling on f2 during WET ( wetdw) o 1D 1H WET solvent suppression with shape pulse and C -13 decoupling on f2 during
WET and AQ for LC isocratic runs ( lc2wetdc) o 1D 1H WET solvent suppression with shape pulse and C -13 decoupling on f2 during
WET and AQ with intermediate preparation scan into second dataset for LC gradient runs with updated shapes (lc2wetdcus | LC2DWTUS)
1D NOESY
o 1D NOESY with presaturation ( noesypr1d) o 1D NOESY with presaturation and CW decoupling on f2 ( lc1pncw) o 1D NOESY with double presaturation and CW decoupling on f2 ( lc1pncwfd) o 1D NOESY with presaturation using shaped pulse and CW decoupling on f2
(lc1pncwps) o 1D NOESY with double presaturation ( lc1pnf2) o 1D NOESY with multiple presaturation (lc1pnfr) o 1D NOESY with triple presaturation ( lc1pnft) o 1D NOESY with presaturation using shaped pulse ( lc1pnps)
Pseudo-2D-sequence
o Pseudo-2D-sequence for lc-nmr on flow detection (lc2) o Pseudo-2D-sequence for lc-nmr on flow detection with power-gated decoupling (lc2pg) o Pseudo-2D-sequence for lc-nmr on flow detection with presaturation (lc2pn) o Pseudo-2D-sequence for lc-nmr on flow detection with double presaturation (lc2pnf2) o Pseudo-2D-sequence for lc-nmr on flow detection with solvent gradients (lc2pnf2ul) o Pseudo-2D-sequence for lc-nmr on flow detection with solvent gradients (lc2pnpl) o Pseudo-2D-sequence for lc-nmr on flow detection (lc2pnps) o Pseudo-2D-sequence for lc-nmr on flow detection with solvent gradients (lc2pnul) o Pseudo-2D-sequence for lc-nmr on flow detection with presaturation (lc2pr) o Pseudo-2D-sequence for lc-nmr on flow detection with double presaturation (lc2prf2) o Pseudo-2D-sequence for lc-nmr on flow detection with presaturation using shape pulse
(lc2ps)
2D homonuclear J-resolved
o 2D J-resolved with double presaturation and cw-decoupling on f2 (lcjrescwfdprqf) o 2D J-resolved with presaturation and cw-decoupling on f2 (lcjrescwprqf) o 2D J-resolved with presaturation using shape pulse and cw-decoupling on f2
(lcjrescwpsqf) o 2D J-resolved with double presaturation (lcjresf2prqf) o 2D J-resolved with presaturation (lcjresprqf) o 2D J-resolved with presaturation using shape pulse (lcjrespsqf)
2D TOCSY
o 2D TOCSY with double presaturation and cw -decoupling on f2 (lcmlevcwfdpcph) o 2D TOCSY with presaturation and cw -decoupling on f2 (lcmlevcwpcphps) o 2D TOCSY with double presaturation using composite pulse ( lcmlevf2pcph) o 2D TOCSY with double presaturation ( lcmlevf2phpr | LCML12)
©2006: Bruker BioSpin , Teodor Parella 228
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
o 2D TOCSY with presaturation using shape pulse and composite pulse ( lcmlevpcphps) o 2D TOCSY with presaturation u sing composite pulse (lcmlevpcph)
2D Experiments using WET
o 2D COSY using WET ( cosydcphwt | COSYDCPHWT) o 2D TOCSY using WET ( mlevdcphwt | MLEVDCPHWT) o 2D HSQC using WET ( hsqcetgpsiwt | HSQCETGPSIWT)
2D Experiments using single/multiple presaturation using shape pulse
o Phase-sensitive 2D COSY using using single/multiple presaturation (cosycwphps |
COSYCWPHPS) o Phase-sensitive 2D HSQC using using single/multiple presaturation (hsqcphps) o 2D HMBC using using single/multiple presaturation (hmbcndpsqf)
Related experiments:
o Also see 1D Solvent suppression
©2006: Bruker BioSpin , Teodor Parella 229
H
1
1
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
lc2
d1
lc2pr lc2ps
1H d1
presat pl9
1H d1
presat off-reson.
lc2pg
H CPD
pl13 pl12
13C d1
channel f2 1H
lc1prf2 lc2prf2 presat pl21
1H d1
presat pl9
channel f3
channel f2
lc1prft
H presat pl22
H presat pl21
1 d1
presat pl9
©2006: Bruker BioSpin , Teodor Parella 230
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
lc2pn
lc2pnul
lc2pnps lc1pnps
1H d1
presat pl9
d8
presat 1H
d1
presat off-reson.
d8
presat off-reson.
1H d1
lc1pnfr
d8
pl9 MMuullttiippllee presat
pl9
MMuullttiippllee presat
lc1pncw lc1pncwps
13C CW 13C CW
pl21 pl21
1H d1
presat pl9
d8
presat 1H
d1
presat off-reson.
d8
presat off-reson.
lc2pnf2
lc1pnf2
lc2pnf2ul
cchhaannnneell ff22 1H
1H
presat pl21
d1
presat pl9
presat
d8
presat
lc1pnft lc1pncwfd
channel f3 1H
presat pl22
presat 13C
CW
pl21 channel f2 1H presat presat channel f3 1H presat presat
pl21 pl22
1H d1
presat pl9
d8
presat
1H d1
presat pl9
d8
presat
©2006: Bruker BioSpin , Teodor Parella 231
1
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
lcjrescwprqf
13C
1H
d1
presat
d0 d0
CW
pl21
lcjrescwpsqf
13C
1H
d1
presat off-reson.
d0 d0
CW
pl21
lcjresf2prqf
channel f2 H
1H
presat pl21
d1
presat pl9
d0 d0
lcjrescwfdprqf
13C
channel f3 H presat pl22
CW
pl21
1H d1
presat pl9
d0 d0
©2006: Bruker BioSpin , Teodor Parella 232
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
lcmlevpcph
d9
1 d1 d0
H presat MLEV-17 pl9 p6
pl10
lcmlevpcphps
d9
1 d1 d0
H presat MLEV-17
off-reson. p6 pl10
lcmlevf2phpr
channel f2 1H
1H
presat pl21
d9 d1 d0
presat MLEV-17 pl9 p6
pl10
lcmlevf2pcph
channel f2 1H
1
presat pl21
d9 d1 d0
H presat MLEV-17 pl9 p6
pl10
lcmlevcwpcphps
13C
d1 d0
CW
pl21 d9
H presat MLEV-17
off-reson. p6 pl10
lcmlevcwfdpcph
channel f3
13C
1H
1
presat pl22
d1 d0 d9
CW
pl21
H presat MLEV-17 pl9 p6
pl10
©2006: Bruker BioSpin , Teodor Parella 233
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
cosydcphwt
1H d1
p11 y y y d0
13C
Gz
sp7 sp8 sp9 sp10
G21 G22 G23 G24
GARP
pl12
mlevdcphwt
1H d1
p11 y y y d0
d9 MLEV-17
sp7 sp8 sp9 sp10
13C GARP
pl12
p6 pl10
Gz
G21 G22 G23 G24
hsqcetgpsiwt
1H d1
p11
y y
d4 d4 p28 d24 d24
d4 d4 8 8
<!rec
13C
15N
sp7 sp8 sp9 sp10
GARP
pl12
optional
<!1
d0 d0 8 8
'I'
GARP
pl12
Gz
G21 G22 G23 G24 G2 G1
©2006: Bruker BioSpin , Teodor Parella 234
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
BASIC SOLID-STATE NMR EXPERIMENTS
©2006: Bruker BioSpin , Teodor Parella 235
1
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
1D one-pulse High power decoupling (hpdec) 1D CP (cp) 1D CP (cpnqs) 1D Sideband suppression with SELTICS ( cpseltics) 1D CPMAS with total sideband suppression using TOSS ( cptossa) 1D CPMAS with total sideband suppression using TOSS ( cptossb)
hpdec
d1 I
S CW
cp cpnqs
1H d1
13C
CW CW
p15 CW
1H d1 13C
CW
p15 CW
d20
CW
d20
cpseltics
1H d1
13C
CW
p15 CW
CW
DELTA
cptossb cptossa
H d1 CW CW
p15
13C del1 CW
del2 del3 del4
©2006: Bruker BioSpin , Teodor Parella 236
Pulse Program Catalogue NMRGuide 4.1 - Topspin 2.0
BRUKER PULSE PROGRAM
CATALOGUE
NMRGuide
APPENDIX
©2006: Bruker BioSpin , Teodor Parella 237
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;Pulprog.info ;avance-version (05/05/02) ; ;$CLASS=HighRes Info ;$COMMENT=
;For a pulseprogram the first characters (usually up to 6, but ;sometimes more) specify the type of experiment, e.g. DEPT, COSY, ;NOESY etc.. Further properties of the pulseprogram are ;indicated by a two-character code, which is added to the name ;in alphabetical order. For 2D experiments the mode (absolute value, ;phase sensitive or echo-antischo) is always indicated. H- or X- ;decoupling is assumed to be default for heteronuclear experiments, ;but not for homonuclear ones (except inad). ;In case of redundant information some two-character codes may be ;ommitted. ; ;The two-character codes used are the following:
;ar experiment for aromatic residues ;at adiabatic TOCSY ;bi with bird pulse for homonuclear J-decoupling ;bp using bipolar gradients ;cc cross correlation experiment ;cp with composite pulse ;ct constant time ;cw decoupling using cw command ;cx using CLEANEX_PM ;dc decoupling using cpd command ;df double quantum filter ;di with DIPSI mixing sequence ;dh homonuclear decoupling in indirect dimension ;dw decoupling using cpd command only during wet sequence ;dq double quantum coherence ;ea phase sensitive using Echo/Antiecho method ;ec with E.COSY transfer ;ed with multiplicity editing ;es excitation sculpting ;et phase sensitive using Echo/Antiecho-TPPI method ;fb using f2 - and f3 - channel ;fd using f1 - and f3 - channel (for presaturation) ;fr with presaturation using a frequency list ;ft using f1 -, f2 - and f3 - channel (for presaturation) ;fh F-19 observe with H-1 decoupling ;fp using a flip-back pulse ;fl for F-19 ecoupler ;f2 using f2 - channel (for presaturation) ;f3 using f3 - instead of f2 - channel ;f4 using f4 - instead of f2 - channel ;gd gated decoupling using cpd command ;ge gradient echo experiment ;gp using gradients with ":gp" syntax ;gr using gradients ;gs using shaped gradients ;hb hydrogen bond experiment ;hc homodecoupling of a region using a cpd-sequence ;hd homodecoupling ;hf H-1 observe with F-19 decoupling ;hs with homospoil pulse ;ia InPhase-AntiPhase (IPAP) experiment ;ig inverse gated ;ii using inverse (invi/HSQC) sequence ;im with incremented mixing time ;i4 using inverse (inv4/HMQC) sequence ;jc for determination of J coupling constant ;jd homonuclear J-decoupled ;jr with jump-return pulse ;lp with low-pass J-filter ;lq with Q-switching (low Q) ;lr for long-range couplings ;l2 with two-fold low-pass J-filter ;mf multiple quantum filter ;ml with MLEV mixing sequence
© 2006 BRUKER Biospin, Teodor Parella. 238
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;mq using multiple quantum ;nd no decoupling ;no with NOESY mixing sequence ;pc with presaturation and composite pulse ;pg power-gated ;ph phase sensitive using States-TPPI, TPPI, States or QSEC ;pl preparing a frequency list ;pn with presaturation using a 1D NOESY sequence ;pp using purge pulses ;pr with presaturation ;ps with presaturation using a shaped pulse ;qf absolute value mode ;qn for QNP-operation ;qs phase sensitive using qseq-mode ;rd refocussed ;rl with relay transfer ;rs with radiation damping suppression using gradients ;ru using radiation damping compensation unit ;rv with random variation ;r2 with 2 step relay transfer ;r3 with 3 step relay transfer ;se spin echo experiment ;sh phase sensitive using States et al. method ;si sensitivity improved ;sm simultaneous evolution of X and Y chemical shift ;sp using a shaped pulse ;sq using single quantum ;ss spin-state selective experiment ;st phase sensitive using States-TPPI method ;sy symmetric sequence ;s3 S3E experiment ;tf triple quantum filter ;tp phase sensitive using TPPI ;tr using TROSY sequence ;tz zeroquantum (ZQ) TROSY ;ul using a frequency list ;us updating shapes ;wg watergate using a soft-hard-soft sequence ;wt with WET watersuppression ;w5 watergate using W5 pulse ;xf x-filter experiments ;xy with XY CPMG sequence ;x1 x-filter in F1 ;x2 x-filter in F2 ;x3 x-filter in F3 ;zf with z-filter ;zq zero quantum coherence ;zs using a gradient/rf spoil pulse ;1d 1D version ;1s using 1 spoil gradients ;11 using 1-1 pulse ;19 using 3-9-19 pulse ;2h using 2H lockswitch unit ;2s using 2 spoil gradients ;3d 3D sequence ;3s using 3 spoil gradients ;30 using a 30 degree flip angle ;45 using a 45 degree flip angle ;90 using a 90 degree flip angle ;135 using a 135 degree flip angle
;Typical experiment names would be: ; cosy, dept, dipsi2, hmbc, hmqc, hoesy, hsqc, inad, inept, ; mlev, noesy, roesy or trosy.
;Inverse correlations are denoted as hmbc, hmqc or hsqc. ; Experiments with a BIRD sequence in the beginning ; also contain a bi in the name.
;1D experiments, which are analogues of 2D experiments by virtue of ; a selective pulse, start with sel. ;Semiselective 2D experiments have the same name as the unselective
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Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
; version but with an s at the beginning: ; ; scosyph <-> cosyph.
;A phase-sensitive (States-TPPI, TPPI etc.) NOESY experiment with ; presaturation would then be: ; ; noesy + ph + pr = noesyphpr.
;In the other direction the pulseprogram hmbcgplpndqf would be ; ; hmbc + gp + lp + nd + qf ; ; and therefor an: ; ; inverse correlation for long-range couplings (HMBC) with ; coherence selection using gradients with ":gp" syntax, ; low-pass J-filter, ; no decoupling ; in absolute value mode.
;The nomenclature of parameters is described in Pulprog.info.
;Comments like: ; ; ;avance-version ; ;begin ; ;end ; ; with ( = MLEV17, DIPSI2, ...) ; ;are evaluated by NMRSIM for the pulseprogram display and should ;therefor not be removed. The syntax for begin/end statements allows ;characters, numbers and '_'. Arithmetic operators must not be used. ; ; ;The comments: ; ;preprocessor-flags-start ; ;preprocessor-flags-end ; ;are also evaluated to identify flags used in the pulseprogram and ;must also not be removed.
;$Id: $
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Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;Param.info ;avance-version (05/10/24) ; ;The following convention is used for power levels, pulses, delays ;and loop counters throughout the microprograms: ; ;$CLASS=HighRes Info ;$COMMENT=
;pl0 : ;pl1 : f1 channel - power level for pulse (default) {all, PL90[F1]} ;pl2 : f2 channel - power level for pulse (default) {all, PL90[F2]} ;pl3 : f3 channel - power level for pulse (default) {all, PL90[F3]} ;pl4 : f4 channel - power level for pulse (default) {all, PL90[F4]} ;pl5 : f5 channel - power level for pulse (default) {} ;pl6 : f6 channel - power level for pulse (default) {} ;pl7 : f7 channel - power level for pulse (default) {} ;pl8 : f8 channel - power level for pulse (default) {} ;pl9 : f1 channel - power level for presaturation {default+lcnmr+triple+triple2+triple_na, PLCW[F1]} ;pl10: f1 channel - power level for TOCSY-spinlock {all, PLTOC[F1]} ;pl11: f1 channel - power level for ROESY-spinlock {all, PLROE[F1]} ;pl12: f2 channel - power level for CPD/BB decoupling {all, PLCPDP[F2]} ;pl13: f2 channel - power level for second CPD/BB decoupling {default+lcnmr+triple_c, PLCPD2[F2]} ; or f2 channel - power level for Cbeta/CO decoupling {triple+triple2, PLSH13[F2]} ;pl14: f2 channel - power level for cw saturation {default, PLNOE[F2]} ; or f2 channel - power level for cw saturation {triple+triple2, PLCW[F2]} ; or f2 channel - power level for low power decoupling {lcnmr, PLUSER1[F2]} ;pl15: f2 channel - power level for TOCSY-spinlock {all, PLTOC[F2]} ;pl16: f3 channel - power level for CPD/BB decoupling {all, PLCPDP[F3]} ;pl17: f4 channel - power level for CPD/BB decoupling {all, PLCPDP[F4]} ;pl18: f1 channel - power level for 3-9-19-pulse (watergate) {default+lcnmr+triple+triple2+triple_na, PL90[F1]} ;pl19: f1 channel - power level for CPD/BB decoupling {default+lcnmr+triple+triple2+triple_na, PLCPDP[F1]} ;pl20: f1 channel - power level for Dante-z pulse {} ; or f2 channel - power level for TOCSY-spinlock (higher sel.) {triple_na, PLUSER5[F2]} ;pl21: f2 channel - power level for presaturation {default+lcnmr, PLCW[F2]} ;pl22: f3 channel - power level for presaturation {lcnmr, PLCW[F3]} ; or f3 channel - power level for TOCSY-spinlock (higher sel.) {triple_na, PLUSER4[F3]} ;pl23: f3 channel - power level for TOCSY-spinlock {default+lcnmr+triple+triple_c, PLTOC[F3]} ; or f3 channel - power level for Rexchange spinlock {triple2, PLUSER2{[F3]} ; or f3 channel - power level for TOCSY-spinlock {triple_na, PLUSER3[F3]} ;pl24: f2 channel - power level for hd/hc decoupling {all, PLHD[F2]} ;pl25: f1 channel - power level for TOCSY spinlock (higher sel.) {triple_na, PLUSER3[F1]} ; or f3 channel - power level for T1rho spinlock {triple+triple2, PLUSER1[F3]} ;pl26: f2 channel - power level for cw decoupling {lcnmr, PLCPDP[F2]-18} ; or f2 channel - power level for TOCSY spinlock (higher sel. II) {triple_na, PLUSER3[F2]} ;pl27: f1 channel - power level for pulsed ROESY-spinlock {default, PLROE[F1]} ; or f1 channel - power level for cleanex spinlock {triple2, PLUSER1[F1]} ; or f2 channel - power level for TOCSY spinlock (higher sel. III) {triple_na, PLUSER4[F2]} ;pl28: f2 channel - power level for selective Ca or CO decoupling {triple+triple2, PLSH10[F2]} ; or f2 channel - power level for selective decoupling {triple_na, PLSH6U[F2]} ;pl29: f2 channel - power level for simultaneous Ca and CO decoupling {triple2, PLSH14[F2]} ;pl30: f2 channel - power level for bilev decoupling {default+triple+triple2+triple_na, PLCPDP[F2]} ;pl31: f2 channel - power level for bilev decoupling {default+triple+triple2+triple_na, PLUSER2[F2]}
;sp0 : f1 channel - shaped pulse 180 degree (adiabatic TOCSY) {} ; or f2 channel - shaped pulse 180 degree (two-fold modulated) {triple_na, PLSH7U[F2]} ;sp1 : f1 channel - shaped pulse for selective excitation {default, PLSH1[F1]} ; or f1 channel - shaped pulse for water flipback {triple+triple2+triple_na, PLSH8[F1]} ;sp2 : f1 channel - shaped pulse 180 degree {default, PLSH2[F1]} ; or f2 channel - shaped pulse 90 degree (on resonance) {triple+triple2, PLSH4[F2]} ; or f2 channel - shaped pulse 90 degree (on resonance) {triple_na, PLSH1U[F2]} ;sp3 : f2 channel - shaped pulse 180 degree (adiabatic) {default, PLSH3[F2]} ; or f2 channel - shaped pulse 180 degree (on resonance) {triple+triple2, PLSH6[F2]}
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; or f2 channel - shaped pulse 180 degree (on resonance) {triple_na, PLSH3U[F2]} ;sp4 : f2 channel - shaped pulse 90 degree (off resonance) {triple+triple2, PLSH4[F2]} ;sp5 : f2 channel - shaped pulse 180 degree (off resonance) {triple+triple2, PLSH6[F2]} ; or f2 channel - shaped pulse 180 degree (off resonance) {triple_na, PLSH3U[F2]} ;sp6 : f1 channel - shaped pulse for presaturation {default+lcnmr+triple+triple2+triple_na, PLSH7[F1]} ;sp7 : f1 channel - shaped pulse for wet {lcnmr, PLSH3[F1]+0.87} ; or f1 channel - shaped pulse 180 degree (adiabatic) {triple_c, PLSH13[F1]} ; or f2 channel - shaped pulse 180 degree (adiabatic) {default, PLSH2[F2]} ; or f2 channel - shaped pulse 180 degree (off resonance2) {triple+triple2, PLSH6[F2]} ; or f2 channel - shaped pulse 180 degree (off resonance2) {triple_na, PLSH3U[F2]} ;sp8 : f1 channel - shaped pulse for wet {lcnmr, PLSH3[F1]-1.04} ; or f2 channel - shaped pulse 90 degree (on res., time reversed) {triple+triple2, PLSH5[F2]} ; or f2 channel - shaped pulse 90 degree (on res., time reversed) {triple_na, PLSH2U[F2]} ;sp9 : f1 channel - shaped pulse for wet {lcnmr, PLSH3[F1]+2.27} ; or f2 channel - shaped pulse 180 degree (higher selectivity) {triple+triple2, PLSH9[F2]} ; or f3 channel - shaped pulse 180 degree (on resonance) {triple_na, PLSH1U[F3]} ;sp10: f1 channel - shaped pulse for tilted ROESY {} ; or f1 channel - shaped pulse for wet {lcnmr, PLSH3[F1]-5.05} ; or f2 channel - shaped pulse 90 degree (higher selectivity) {triple+triple2, PLSH7[F2]} ; or f2 channel - shaped pulse 90 degree (higher selectivity) {triple_na, PLSH4U[F2]} ;sp11: f1 channel - shaped pulse for wet2 {} ; or f1 channel - shaped pulse for water flipback {default, PLSH8[F1]} ; or f1 channel - shaped pulse for water flipback2 {triple+triple2+triple_na, PLSH9[F1]} ; or f2 channel - shaped pulse for water flipback {triple_c, PLSH16[F2]} ;sp12: f1 channel - shaped pulse for wet2 {} ; or f2 channel - shaped pulse 90 degree (higher sel., time rev.) {triple+triple2, PLSH8[F2]} ; or f2 channel - shaped pulse 90 degree (higher sel., time rev.) {triple_na, PLSH5U[F2]} ;sp13: f1 channel - shaped pulse for wet2 {} ; or f1 channel - shaped pulse 180 degree (adiabatic) {triple_c, PLSH12[F1]} ; or f2 channel - shaped pulse 180 degree (adiabatic) {triple+triple2+triple_na, PLSH3[F2]} ;sp14: f1 channel - shaped pulse for wet2 {} ; or f2 channel - shaped pulse 180 degree (adiabatic bilev decoupling) {default+triple+triple2, PLSH12[F2]} ; or f3 channel - shaped pulse 180 degree (adiabatic) {triple_na, PLSH2U[F3]} ;sp15: f2 channel - shaped pulse 180 degree for decoupling (Ca or CO) {triple, PLSH10[F2]} ; or f2 channel - shaped pulse 180 degree for decoupling (Cbeta) {triple2, PLSH13[F2]} ; or f2 channel - shaped pulse 180 degree for decoupling (C') {triple_na, PLSH6U[F2]} ;sp16: f2 channel - shaped pulse 180 degree (higher sel., off res.) {triple+triple2, PLSH9[F2]} ;sp17: f2 channel - shaped pulse 180 degree (higher sel., off res.) {triple+triple2, PLSH9[F2]} ;sp18: f2 channel - shaped pulse 180 degree (adiabatic matched sweep) {default+triple, PLSH15[F2]} ;sp19: f1 channel - shaped pulse for wet {default, PLSH3[F1]+0.87} ; or f2 channel - shaped pulse 90 degree (NH) {triple_c, PLSH14[F2]} ; or f3 channel - shaped pulse 90 degree (T1rho, adiabatic ramp up) {triple2, PLSH1[F3]} ;sp20: f1 channel - shaped pulse for wet {default, PLSH3[F1]-1.04} ; or f2 channel - shaped pulse 90 degree (NH, time reversed) {triple_c, PLSH15[F2]} ; or f3 channel - shaped pulse 90 degree (T1rho, adiabatic ramp down) {triple2, PLSH2[F3]} ;sp21: f1 channel - shaped pulse for wet {default, PLSH3[F1]+2.27} ; or f1 channel - shaped pulse 180 degree (cleanex, H2O) {triple2, PLSH11[F1]} ;sp22: f1 channel - shaped pulse for wet {default, PLSH3[F1]-5.05} ; or f1 channel - shaped pulse 90 degree (cleanex, H2O) {triple2, PLSH10[F1]} ; or f1 channel - shaped pulse 180 degree (off resonance) {triple_c, PLSH6[F1]} ;sp23: f1 channel - shaped pulse 90 degree (on resonance) {triple_c, PLSH4[F1]} ; or f1 channel - shaped pulse 180 degree (off resonance) {triple_na, PLSH1U[F1]} ;sp24: f1 channel - shaped pulse 180 degree (on resonance) {triple_c, PLSH6[F1]} ; or f1 channel - shaped pulse 180 degree (off resonance2) {triple_na, PLSH1U[F1]} ;sp25: f1 channel - shaped pulse 90 degree (on res., time reversed) {triple_c, PLSH5[F1]} ; or f2 channel - shaped pulse 180 degree (higher selectivity) {triple_na, PLSH6U[F2]} ;sp26: f1 channel - shaped pulse 180 degree (off resonance) {triple_c, PLSH6[F1]} ;sp27: f1 channel - shaped pulse 180 degree (off resonance) {triple_c, PLSH6[F1]} ;sp28: f1 channel - shaped pulse 180 degree (higher selectivity) {triple_c, PLSH14[F1]} ;sp29: f1 channel - shaped pulse 180 degree (off resonance) {triple_c, PLSH6[F1]} ; or f1 channel - shaped pulse 180 degree (adiabatic sweep: z-spoil) {default, PLSH16[F1]}
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Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;sp30: f1 channel - shaped pulse 180 degree (sim. Ca + CO) {triple_c, PLSH15[F1]} ; or f2 channel - shaped pulse 180 degree for decoupling (sim. Ca + CO) {triple2, PLSH14[F2]} ;sp31: f2 channel - shaped pulse 180 degree (adiabatic bilev decoupling) {default+triple+triple2+triple_na, PLSH11[F2]}
;p0 : {all, P90[F1]} ;p1 : f1 channel - 90 degree high power pulse {all, P90[F1]} ;p2 : f1 channel - 180 degree high power pulse {all, P90[F1]*2} ;p3 : f2 channel - 90 degree high power pulse {all, P90[F2]} ;p4 : f2 channel - 180 degree high power pulse {all, P90[F2]*2} ;p5 : f1 channel - 60 degree low power pulse {all, PTOC[F1]*0.66} ;p6 : f1 channel - 90 degree low power pulse {all, PTOC[F1]} ;p7 : f1 channel - 180 degree low power pulse {default+lcnmr+triple+triple_c, PTOC[F1]*2} ; or f1 channel - 180 degree shaped pulse (cleanex sel. H2O) {triple2, PSH11[F1]} ; or f2 channel - 90 degree pulse at pl20 (TOCSY, higher sel.) {triple_na, PUSER5[F2]} ;p8 : f2 channel - 60 degree low power pulse {} ; or f1 channel - 90 degree shaped pulse (wet) {default, PSH3[F1]} ; or f1 channel - 180 degree shaped pulse (adiabatic) {triple_c, PSH12[F1]} ; or f2 channel - 180 degree shaped pulse (adiabatic) {triple+triple2+triple_na, PSH3[F2]} ;p9 : f2 channel - 90 degree low power pulse (TOCSY) {all, PTOC[F2]} ;p10: f1 channel - 90 degree low power pulse (cleanex spinlock) {triple2, PUSER1[F1]} ; or f2 channel - 180 degree low power pulse {default+lcnmr+triple+triple_c, PTOC[F2]*2} ; or f2 channel - 180 degree shaped pulse (higher selectivity) {triple_na, PSH6U[F2]} ;p11: f1 channel - 90 degree shaped pulse (selective excitation) {default, PSH1[F1]} ; or f1 channel - 90 degree shaped pulse (selective excitation) {triple_c, PSH4[F1]} ; or f1 channel - 90 degree shaped pulse (wet) {lcnmr, PSH3[F1]} ; or f1 channel - 90 degree shaped pulse (water flipback/watergate) {triple+triple2+triple_na, PSH8[F1]} ;p12: f1 channel - 180 degree shaped pulse (H, selective) {default+lcnmr, PSH2[F1]} ; or f1 channel - 180 degree shaped pulse (C, adiabatic) {default+lcnmr, PSH2[F1]} ; or f1 channel - 180 degree shaped pulse (C, selective) {triple_c, PSH6[F1]} ; or f1 channel - 180 degree shaped pulse (excitation sculpting) {triple+triple2, PSH8[F1]*2} ; or f1 channel - 180 degree shaped pulse (H, selective) {triple_na, PSH1U[F1]} ;p13: f2 channel - 90 degree shaped pulse {triple+triple2, PSH4[F2]} ; or f2 channel - 90 degree shaped pulse {triple_na, PSH1U[F2]} ; or f2 channel - 90 degree shaped pulse (H, selective) {triple_c, PSH15[F2]} ;p14: f2 channel - 180 degree shaped pulse (adiabatic) {default+lcnmr, PSH3[F2]} ; or f2 channel - 180 degree shaped pulse (selective) {triple+triple2, PSH6[F2]} ; or f2 channel - 180 degree shaped pulse (selective) {triple_na, PSH3U[F2]} ;p15: f1 channel - pulse for ROESY spinlock {default+lcnmr, TROE[F1]} ; or f1 channel - 90 degree shaped pulse (cleanex sel. H2O) {triple2, PSH10[F1]} ; or f2 channel - 180 degree shaped pulse (adiabatic matched sweep) {triple, PSH15[F2]} ; or f2 channel - 90 degree shaped pulse (higher selectivity) {triple_na, PSH4U[F2]} ;p16: homospoil/gradient pulse {all, P_grad1} ;p17: f1 channel - trim pulse at pl10 or pl15 {all, P_mlev} ;p18: f1 channel - shaped pulse (off resonance presaturation) {default+lcnmr+triple+triple2+triple_na, PSH7[F1]} ;p19: homospoil/gradient pulse 2 {all, P_grad2} ;p20: f2 channel - trim pulse {all, P_mlev} ;p21: f3 channel - 90 degree high power pulse {all, P90[F3]} ;p22: f3 channel - 180 degree high power pulse {all, P90[F3]*2} ;p23: f2 channel - 90 degree shaped pulse (higher selectivity) {triple+triple2, PSH7[F2]} ; or f2 channel - 90 degree shaped pulse (twofold modulated) {triple_na, PSH7U[F2]} ; or f4 channel - 90 degree high power pulse {default, P90[F4]} ;p24: f1 channel - 180 degree shaped pulse (adiabatic) {triple_c, PSH13[F1]} ; or f2 channel - 180 degree shaped pulse (adiabatic) {default+lcnmr, PSH2[F2]} ; or f2 channel - 180 degree shaped pulse (higher selectivity) {triple+triple2, PSH9[F2]} ; or f3 channel - 90 degree pulse at pl22 (TOCSY, higher sel.) {triple_na, PUSER4[F3]} ; or f4 channel - 180 degree high power pulse {} ;p25: f1 channel - 90 degree pulse at pl27 (pulsed ROESY) {default+lcnmr, PROE[F1]*2} ; or f1 channel - 90 degree shaped pulse (higher selectivity) {triple_c, PSH14[F1]} ; or f3 channel - pulse for t1rho experiment {pp} ; or f3 channel - pulse for TOCSY-spinlock experiment {triple} ; or f3 channel - 90 degree pulse at pl23 (TOCSY) {triple_na, PUSER3[F3]} ; or f3 channel - 180 degree low power pulse (Rexchange) {triple2, PUSER2[F3]*2} ;p26: f1 channel - 90 degree pulse at pl19 {triple*, PCPDP[F1]} ;p27: f1 channel - 90 degree pulse at pl18 (3-9-19 watergate) {default+lcnmr+triple+triple2+triple_na, P90[F1]} ;p28: f1 channel - trim pulse at pl1 {all, P_hsqc} ;p29: f1 channel - 90 degree shaped pulse (water flipback) {default, PSH8[F1]} ; or f1 channel - 90 degree shaped pulse (water flipback2) {triple+triple_na, PSH9[F1]}
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; or
f2 channel - 90 degree shaped pulse (water flipback) {triple c, PSH16[F2]}
; or f3 channel - 90 degree shaped pulse (T1rho adiabatic ramp) {triple2, PSH1[F3]} ; or homospoil/gradient pulse 3 {pp};p30: f1 channel - 180 degree shaped pulse (sim. Ca + CO) {triple_c, PSH15[F1]}; or f2 channel - 180 degree shaped pulse (sim. Ca + CO decoupling) {triple2, PSH14[F2]} ; or f3 channel - 180 degree pulse at pl23 {triple, PTOC[F3]*2} ; or f3 channel - 180 degree shaped pulse {triple_na, PSH1U[F3]}; or homospoil/gradient pulse 4 {pp}; or gradient pulse for diffusion (dosy) {};p31: f2 channel - 180 degree shaped pulse (adiabatic matched sweep) {default, PSH15[F2]} ; or f2 channel - 180 degree shaped pulse (sel. Ca or CO decoupling) {triple, PSH10[F2]} ; or f2 channel - 180 degree shaped pulse (Cbeta decoupling) {triple2, PSH13[F2]} ; or f2 channel - 180 degree shaped pulse (sel. C decoupling) {triple_na, PSH6U[F2]}; or f2 channel - 180 degree pulse (low power decoupling) {lcnmr, PUSER1[F2]} ; or homospoil/gradient pulse 5 {pp} ;p32: f1 channel - 180 degree shaped pulse (adiabatic sweep: z-spoil) {default, PSH16[F1]} ; or f3 channel - 180 degree shaped pulse (adiabatic) {triple_na, PSH2U[F3]} ;p33: f3 channel - trim pulse {triple_na, P_mlev} ;p63: f2 channel - 180 degree shaped pulse (adiabatic bilev sweep) {default+triple+triple2+triple_na, PSH11[F2]}
;d0 : incremented delay (2D or 3D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d2 : 1/(2J) ;d3 : 1/(3J) or 1/(6J) ;d4 : 1/(4J) ;d5 : DE/2 ;d6 : delay for evolution of long range couplings ;d7 : delay for inversion recovery ;d8 : NOESY mixing time ;d9 : TOCSY mixing time {all, TTOC[F1]} ;d10: incremented delay (3D) ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d13: short delay [4 usec] ;d14: delay for evolution after shaped pulse ;d15: TOCSY mixing time (CC) {triple*, TTOC[F2]} ;d16: delay for homospoil/gradient recovery {all, D_grad} ;d17: delay for DANTE pulse-train ;d18: delay for evolution of long range couplings ;d19: delay for binomial water suppression ;d20: for different applications ;d21: for different applications ;d22: 1/(2J(XY)) ;d23: 1/(4J(XY)) or 1/(2J(XY)) ;d24: for different applications ;d25: 1/(6J(YH)) or 1/(8J(XY)) ;d26: 1/(4J(YH)) ;d27: for different applications ;d28: for different applications ;d29: for different applications ;d30: for different applications ;d31: for different applications
;cnst0 : for protein experiments - N chemical shift (offset, in ppm) ; or for na experiments - calculated chemical shift (offset, in ppm) ; or for na experiments - N(aro) chemical shift (offset, in ppm) [195 ppm] ;cnst1 : J (HH) ;cnst2 : J (XH) ;cnst3 : J (XX) ;cnst4 : J (YH) ;cnst5 : J (XY) ;cnst6 : J (XH)min ;cnst7 : J (XH)max ;cnst8 : bandwidth of excitation for Dante-z pulse ;cnst9 : for different applications as J ;cnst10: for different applications as J ;cnst11: for multiplicity selection ;cnst12: for multiplicity selection ;cnst13: J (XH) long range ;cnst14: J (XH) long range (min) ;cnst15: J (XH) long range (max) ;cnst16: J-scale factor
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Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
; or for na experiments - H6/8 and/or H1' chemical shift (offset, in ppm) ;cnst17: factor to compensate for coupling evolution during a pulse ; or for na experiments - H1' chemical shift (offset, in ppm) ;cnst18: for protein experiments - H2O chemical shift (offset, in ppm) ; or for na experiments - H2O chemical shift (offset, in ppm) ;cnst19: for protein experiments - H(N) chemical shift (offset, in ppm) ; or : for na experiments - H(N) chemical shift (offset, in ppm) ;cnst20: for protein experiments - Haliphatic chemical shift (offset, in ppm) ;cnst21: for na experiments - C1' chemical shift (offset, in ppm) [90 ppm] ; or for protein experiments - CO chemical shift (offset, in ppm) ;cnst22: for protein experiments - Calpha chemical shift (offset, in ppm) ; or for na experiments - C6/8 chemical shift (offset, in ppm) [137 ppm] ;cnst23: for protein experiments - Caliphatic chemical shift (offset, in ppm) ; or for na experiments - C2' chemical shift (offset, in ppm) [72 ppm] ;cnst24: for protein experiments - Caromatic chemical shift (offset, in ppm) ; or for na experiments - C4 (C/U) chemical shift (offset, in ppm) [169 ppm] ;cnst25: for protein experiments - flag for cross peak / reference experiments ; or for na experiments - C6 (A) chemical shift (offset, in ppm) [160 ppm] ;cnst26: for protein experiments - Call chemical shift (offset, in ppm) ; or for na experiments - C5 (G) chemical shift (offset, in ppm) [119 ppm] ;cnst27: for protein experiments - ( Cgamma chemical shift (offset, in ppm) ) ; or for na experiments - C2/4 chemical shift (offset, in ppm) [152 ppm] ;cnst28: for protein experiments - Haromatic chemical shift (offset, in ppm) ; or for na experiments - C5 (C/U) chemical shift (offset, in ppm) [105 ppm] ;cnst29: for protein experiments - N(H) chemical shift (offset, in ppm) ; or for na experiments - C(aro) chemical shift (offset, in ppm) [145 ppm] ;cnst30: for protein experiments - Cbeta chemical shift (offset, in ppm) ; or for na experiments - N(H) chemical shift (offset, in ppm) [151 ppm] ;cnst31: scaling factor ; or for na experiments - N(H2) chemical shift (offset, in ppm) [81 ppm]
;vc : variable loop counter, taken from vc-list ;vd : variable delay, taken from vd-list
;l1 : loop for spinlock cycle ;l2 : loop for GARP cycle: l2 * 31.75 * 4 * p9 => AQ ;l3 : loop for phase sensitive 2D or 3D using ; States et al. or States-TPPI method: l3 = td1/2 ;l4 : for different applications ;l5 : for different applications ;l6 : loop for shaped pulse presaturation during relaxation delay ;l7 : loop for shaped pulse presaturation during mixing time ;l8 : number of frequencies for multiple presaturation ;l11: loop for spinlock cycle 2
;$Id: $
2006 BRUKER Biospin, Teodor Parella. 245
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;Relations.info ;avance-version (05/10/24) ; ;$CLASS=HighRes Info ;$COMMENT=
;The following convention is used for power levels, pulses, delays ;and loop counters in the different relation files for prosol: ; ;all = default + lcnmr + triple + triple2 + triple_c + triple_na ;triple* = triple + triple2 + triple_c + triple_na ;! = except ; ;prosol par. rel. file pulseprogram parameter ; ;D_grad all d16: delay for homospoil/gradient recovery ; ;P90[F1] all p0 : ;P90[F1] all p1 : f1 channel - 90 degree high power pulse ;P90[F1] all(!triple_c) p27: f1 channel - 90 degree pulse at pl18 (3-9-19 watergate) ;P90[F1]*2 all p2 : f1 channel - 180 degree high power pulse ;P90[F2] all p3 : f2 channel - 90 degree high power pulse ;P90[F2]*2 all p4 : f2 channel - 180 degree high power pulse ;P90[F3] all p21: f3 channel - 90 degree high power pulse ;P90[F3]*2 all p22: f3 channel - 180 degree high power pulse ;P90[F4] default p23: f4 channel - 90 degree high power pulse ; ;PCPDP[F1] triple+triple2+triple_na p26: f1 channel - 90 degree pulse at pl19 ; ;PL90[F1] all pl1 : f1 channel - power level for pulse (default) ;PL90[F1] all(!triple_c) pl18: f1 channel - power level for 3-9-19-pulse (watergate) ;PL90[F2] all pl2 : f2 channel - power level for pulse (default) ;PL90[F3] all pl3 : f3 channel - power level for pulse (default) ;PL90[F4] all pl4 : f4 channel - power level for pulse (default) ; ;PLCPDP[F1] all(!triple_c) pl19: f1 channel - power level for CPD/BB decoupling ;PLCPDP[F2] all pl12: f2 channel - power level for CPD/BB decoupling ;PLCPDP[F2] default+triple+triple2 pl30: f2 channel - power level for CPD/BB decoupling ; +triple_na ;PLCPDP[F2]-18 lcnmr pl26: f2 channel - power level for cw decoupling ;PLCPDP[F3] all pl16: f3 channel - power level for CPD/BB decoupling ;PLCPDP[F4] all pl17: f4 channel - power level for CPD/BB decoupling ;PLCPD2[F2] default+lcnmr+triple_c pl13: f2 channel - power level for second CPD/BB decoupling ; ;PLCW[F1] all(!triple_c) pl9 : f1 channel - power level for presaturation ;PLCW[F2] default+lcnmr pl21: f2 channel - power level for presaturation ;PLCW[F2] triple+triple2 pl14: f2 channel - power level for cw saturation ;PLCW[F3] lcnmr pl22: f3 channel - power level for presaturation ; ;PLHD[F2] all pl24: f2 channel - power level for hd/hc decoupling ; ;PLNOE[F2] default pl14: f2 channel - power level for cw saturation ; ;PLROE[F1] all pl11: f1 channel - power level for ROESY-spinlock ;PLROE[F1] default pl27: f1 channel - power level for pulsed ROESY-spinlock ; ;PLSH1[F1] default sp1 : f1 channel - shaped pulse for selective excitation ;PLSH1[F3] triple2 sp19: f3 channel - shaped pulse 90 degree (T1rho, adiab. ramp up) ;PLSH2[F1] default sp2 : f1 channel - shaped pulse 180 degree ;PLSH2[F2] default sp7 : f2 channel - shaped pulse 180 degree (adiabatic) ;PLSH2[F3] triple2 sp20: f3 channel - shaped pulse 90 degree (T1rho, adiab. ramp down) ;PLSH3[F1] lcnmr sp1 : f1 channel - shaped pulse for wet ;PLSH3[F1] lcnmr sp2 : f1 channel - shaped pulse for wet ;PLSH3[F1]+0.87 lcnmr sp7 : f1 channel - shaped pulse for wet ;PLSH3[F1]+0.87 default sp19: f1 channel - shaped pulse for wet ;PLSH3[F1]-1.04 lcnmr sp8 : f1 channel - shaped pulse for wet ;PLSH3[F1]-1.04 default sp20: f1 channel - shaped pulse for wet ;PLSH3[F1]+2.27 lcnmr sp9 : f1 channel - shaped pulse for wet ;PLSH3[F1]+2.27 default sp21: f1 channel - shaped pulse for wet ;PLSH3[F1]-5.05 lcnmr sp10: f1 channel - shaped pulse for wet ;PLSH3[F1]-5.05 default sp22: f1 channel - shaped pulse for wet
© 2006 BRUKER Biospin, Teodor Parella. 246
;PLSH3[F2] default sp3 : f2 channel - shaped pulse 180 degree (adiabatic);PLSH3[F2] triple+triple2+trip e_na sp13: f2 channel - shaped pulse 180 degree (adiabatic);PLSH4[F1] triple_c sp23: f1 channel - shaped pulse 90 degree (on resonance) ;PLSH4[F2] triple+triple2 sp2 : f2 channel - shaped pulse 90 degree (on resonance) ;PLSH4[F2] triple+triple2 sp4 : f2 channel - shaped pulse 90 degree (off resonance) ;PLSH5[F1] triple_c sp25: f1 channel - shaped pulse 90 degree (on resonance) ;PLSH5[F2] triple+triple2 sp8 : f2 channel - shaped pulse 90 degree (on res.,time reversed) ;PLSH6[F1] triple_c sp22: f1 channel - shaped pulse 180 degree (off resonance) ;PLSH6[F1] triple_c sp24: f1 channel - shaped pulse 180 degree (on resonance) ;PLSH6[F1] triple_c sp26: f1 channel - shaped pulse 180 degree (off resonance) ;PLSH6[F1] triple_c sp27: f1 channel - shaped pulse 180 degree (off resonance) ;PLSH6[F1] triple_c sp29: f1 channel - shaped pulse 180 degree (off resonance) ;PLSH6[F2] triple+triple2 sp3 : f2 channel - shaped pulse 180 degree (on resonance) ;PLSH6[F2] triple+triple2 sp5 : f2 channel - shaped pulse 180 degree (off resonance) ;PLSH6[F2] triple+triple2 sp7 : f2 channel - shaped pulse 180 degree (off resonance2)
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
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;PLSH7[F1] all(!triple_c) sp6 : f1 channel - shaped pulse for presaturation ;PLSH7[F2] triple* sp10: f2 channel - shaped pulse 90 degree (higher selectivity) ;PLSH8[F1] triple+triple2+triple_na sp1 : f1 channel - shaped pulse for water flipback ;PLSH8[F1] default sp11: f1 channel - shaped pulse for water flipback ;PLSH8[F2] triple+triple2 sp12: f2 channel - shaped pulse 90 degree (higher sel., time rev.) ;PLSH9[F1] triple+triple2+triple_na sp11: f1 channel - shaped pulse for water flipback2 ;PLSH9[F2] triple+triple2 sp9 : f2 channel - shaped pulse 180 degree (higher selectivity) ;PLSH9[F2] triple+triple2 sp16: f2 channel - shaped pulse 180 degree (higher selectivity) ;PLSH9[F2] triple+triple2 sp17: f2 channel - shaped pulse 180 degree (higher selectivity) ;PLSH10[F1] triple2 sp22: f1 channel - shaped pulse 90 degree (H2O on resonance) ;PLSH10[F2] triple sp15: f2 channel - shaped pulse 180 degree for decoupling (Ca or CO) ;PLSH10[F2] triple+triple2 pl28: f2 channel - power level for selective Ca or CO decoupling ;PLSH11[F1] triple2 sp21: f1 channel - shaped pulse 180 degree (H2O on resonance) ;PLSH11[F2] default+triple+triple2 sp31: f2 channel - shaped pulse 180 degree (adiabatic decoupling) ; +triple_na ;PLSH12[F1] triple_c sp13: f1 channel - shaped pulse 180 degree (adiabatic) ;PLSH12[F2] default+triple+triple2 sp14: f2 channel - shaped pulse 180 degree (adiabatic bilev decoupling) ;PLSH13[F1] triple_c sp7 : f2 channel - shaped pulse 180 degree (adiabatic) ;PLSH13[F2] triple+triple2 pl13: f2 channel - power level for Cbeta/CO decoupling ;PLSH13[F2] triple2 sp15: f2 channel - shaped pulse 180 degree for decoupling (Cbeta) ;PLSH14[F1] triple_c sp28: f1 channel - shaped pulse 180 degree (higher selectivity) ;PLSH14[F2] triple2 pl29: f2 channel - power level for simultaneous Ca and CO decoupling ;PLSH14[F2] triple2 sp30: f2 channel - power level for simultaneous Ca and CO decoupling ;PLSH14[F2] triple_c sp19: f2 channel - shaped pulse 90 degree (HN) ;PLSH15[F1] triple_c sp30: f1 channel - shaped pulse 180 degree (sim. Ca + CO decoupling) ;PLSH15[F2] default+triple sp18: f2 channel - shaped pulse 180 degree (adiabatic matched sweep) ;PLSH15[F2] triple_c sp20: f2 channel - shaped pulse 90 degree (HN tr) ;PLSH16[F1] default sp29: f1 channel - shaped pulse 180 degree (adiabatic: z-spoil) ;PLSH16[F2] triple_c sp11: f2 channel - shaped pulse 90 degree (water flipback) ;
© 2006 BRUKER Biospin, Teodor Parella. 247
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;PLSH1U[F1] triple_na sp23: f1 channel - shaped pulse 180 degree (_NA: H) ;PLSH1U[F1] triple_na sp24: f1 channel - shaped pulse 180 degree (_NA: H) ;PLSH1U[F2] triple_na sp2 : f2 channel - shaped pulse 90 degree (_NA: C) ;PLSH1U[F3] triple_na sp9 : f3 channel - shaped pulse 180 degree (_NA: N) ;PLSH2U[F2] triple_na sp8 : f2 channel - shaped pulse 90 degree (_NA: C, tr) ;PLSH2U[F3] triple_na sp14: f3 channel - shaped pulse 180 degree (_NA: N, adiabatic) ;PLSH3U[F2] triple_na sp3 : f2 channel - shaped pulse 180 degree (_NA: C) ;PLSH3U[F2] triple_na sp5 : f2 channel - shaped pulse 180 degree (_NA: C) ;PLSH3U[F2] triple_na sp7 : f2 channel - shaped pulse 180 degree (_NA: C) ;PLSH4U[F2] triple_na sp10: f2 channel - shaped pulse 90 degree (_NA: C, higher sel.) ;PLSH5U[F2] triple_na sp12: f2 channel - shaped pulse 90 degree (_NA: C, higher sel., tr) ;PLSH6U[F2] triple_na sp15: f2 channel - shaped pulse 180 degree (_NA: C, decoupling) ;PLSH6U[F2] triple_na sp25: f2 channel - shaped pulse 180 degree (_NA: C, higher sel.) ;PLSH6U[F2] triple_na pl28: f2 channel - shaped pulse 180 degree (_NA: C, decoupling) ;PLSH7U[F2] triple_na sp0 : f2 channel - shaped pulse 180 degree (_NA: C, twofold mod) ; ;PLTOC[F1] all pl10: f1 channel - power level for TOCSY-spinlock ;PLTOC[F2] all pl15: f2 channel - power level for TOCSY-spinlock ;PLTOC[F3] all(!triple2+triple_na) pl23: f3 channel - power level for TOCSY-spinlock ; ;PLUSER1[F1] triple2 pl27: f1 channel - power level for CLEANEX spinlock ;PLUSER1[F2] lcnmr pl14: f2 channel - power level for low power decoupling ;PLUSER1[F3] triple* pl25: f3 channel - power level for T1rho spinlock ;PLUSER2[F2] default+triple+triple2 pl31: f2 channel - power level for bilev dec. (cw part) ; +triple_na ;PLUSER2[F3] triple2 pl23: f3 channel - power level for Rexchange ;PLUSER3[F1] triple_na pl25: f1 channel - power level for hetero TOCSY ;PLUSER3[F2] triple_na pl26: f2 channel - power level for hetero TOCSY ;PLUSER3[F3] triple_na pl23: f3 channel - power level for hetero TOCSY ;PLUSER4[F2] triple_na pl27: f2 channel - power level for hetero TOCSY higher sel. ;PLUSER4[F3] triple_na pl22: f3 channel - power level for hetero TOCSY higher sel. ;PLUSER5[F2] triple_na pl20: f2 channel - power level for TOCSY higher sel. ; ;PROE[F1]*2 default+lcnmr p25: f1 channel - 90 degree pulse at pl27 (pulsed ROESY) ; ;PSH1[F1] default p11: f1 channel - 90 degree shaped pulse (selective excitation) ;PSH1[F3] triple2 p29: f3 channel - shaped pulse for adiabatic ramping ;PSH2[F1] default+lcnmr p12: f1 channel - 180 degree shaped pulse (C, adiabatic) ;PSH2[F1] default+lcnmr p12: f1 channel - 180 degree shaped pulse (H, selective) ;PSH2[F2] default+lcnmr p24: f2 channel - 180 degree shaped pulse (adiabatic) ;PSH3[F1] lcnmr p11: f1 channel - 90 degree shaped pulse (wet) ;PSH3[F1] default p8 : f1 channel - 90 degree shaped pulse (wet) ;PSH3[F2] default+lcnmr p14: f2 channel - 180 degree shaped pulse (adiabatic) ;PSH3[F2] triple+triple2+triple_na p8 : f2 channel - 180 degree shaped pulse (adiabatic) ;PSH4[F1] triple_c p11: f1 channel - 90 degree shaped pulse ;PSH4[F2] triple+triple2 p13: f2 channel - 90 degree shaped pulse ;PSH6[F1] triple_c p12: f1 channel - 180 degree shaped pulse (selective) ;PSH6[F2] triple+triple2 p14: f2 channel - 180 degree shaped pulse (selective) ;PSH7[F1] all(!triple_c) p18: f1 channel - shaped pulse (off resonance presaturation) ;PSH7[F2] triple+triple2 p23: f2 channel - 90 degree shaped pulse (higher selectivity) ;PSH8[F1] triple+triple2+triple_na p11: f1 channel - 90 degree shaped pulse (water flipback/watergate) ;PSH8[F1]*2 triple+triple2 p12: f1 channel - 180 degree shaped pulse (excitation sculpting) ;PSH8[F1] default p29: f1 channel - 90 degree shaped pulse (water flipback) ;PSH9[F1] triple+triple_na p29: f1 channel - 90 degree shaped pulse (water flipback2) ;PSH9[F2] triple+triple2 p24: f2 channel - 180 degree shaped pulse (higher selectivity) ;PSH10[F1] triple2 p15: f1 channel - 90 degree shaped pulse (H2O on resonance) ;PSH10[F2] triple p31: f2 channel - 180 degree shaped pulse (sel. Ca or COdecoupling)
© 2006 BRUKER Biospin, Teodor Parella. 248
Pulse Program Catalogue NMRGuide4.1 – Topspin 2.0
;PSH11[F1] triple2 p7 : f1 channel - 180 degree shaped pulse (H2O on resonance) ;PSH11[F2] default+triple+triple2 p63 : f2 channel - 180 degree shaped pulse (adiabaticdecoupling) ; +triple_na ;PSH12[F1] triple_c p8 : f1 channel - 180 degree shaped pulse (adiabatic) ;PSH13[F1] triple_c p24: f1 channel - 180 degree shaped pulse (adiabatic) ;PSH13[F2] triple* pcpd8: f2 channel - 180 degree shaped pulse (Cbeta decoupling) ;PSH13[F2] triple2 p31: f2 channel - 180 degree shaped pulse (Cbeta decoupling) ;PSH14[F1] triple_c p25: f1 channel - 180 degree shaped pulse (higher selectivity) ;PSH14[F2] triple2 p30: f2 channel - 180 degree shaped pulse (sim. Ca + CO decoupling) ;PSH15[F1] default p31: f1 channel - 180 degree shaped pulse for inversion (adiabatic matched sweep) ;PSH15[F1] triple_c p30: f1 channel - 180 degree shaped pulse (sim. Ca + CO decoupling) ;PSH15[F2] triple p15: f2 channel - 180 degree shaped pulse for inversion (adiabatic matched sweep) ;PSH15[F2] triple_c p13: f2 channel - 90 degree shaped pulse (H, selective) ;PSH16[F1] default p32: f1 channel - 180 degree shaped pulse for inversion (adiabatic: z-spoil) ;PSH16[F2] triple_c p29: f2 channel - 90 degree shaped pulse for inversion (water flipback) ; ;PSH1U[F1] triple_na p12: f1 channel - 180 degree shaped pulse (_NA: H) ;PSH1U[F2] triple_na p13: f2 channel - 90 degree shaped pulse (_NA: C) ;PSH1U[F3] triple_na p30: f3 channel - 180 degree shaped pulse (_NA: N) ;PSH2U[F3] triple_na p32: f3 channel - 180 degree shaped pulse (_NA: N, adiabatic) ;PSH3U[F2] triple_na p14: f2 channel - 180 degree shaped pulse (_NA: C) ;PSH4U[F2] triple_na p15: f2 channel - 90 degree shaped pulse (_NA: C, higher sel.) ;PSH6U[F2] triple_na p10: f2 channel - 180 degree shaped pulse (_NA: C, higher sel.) ;PSH6U[F2] triple_na p31: f2 channel - 180 degree shaped pulse (_NA: C, decoupling) ;PSH7U[F2] triple_na p23: f2 channel - 180 degree shaped pulse (_NA: C, twofold mod) ; ;PTOC[F1] all p6 : f1 channel - 90 degree low power pulse ;PTOC[F1]*0.66 all(!triple_na) p5 : f1 channel - 60 degree low power pulse ;PTOC[F1]*2 all(!triple2+triple_na) p7 : f1 channel - 180 degree low power pulse ;PTOC[F2] all p9 : f2 channel - 90 degree low power pulse ;PTOC[F2]*2 all(!triple2+triple_na) p10: f2 channel - 180 degree low power pulse ;PTOC[F3] triple p25: f3 channel - 90 degree pulse at pl23 ;PTOC[F3]*2 triple p30: f3 channel - 180 degree pulse at pl23 ; ;PUSER1[F1] triple2 p10: f1 channel - 180 degree low power pulse (CLEANEX spinlock) ;PUSER1[F2] lcnmr p31: f2 channel - 90 degree low power pulse (decoupling) ;PUSER2[F3]*2 triple2 p25: f3 channel - 180 degree low power pulse (Rexchange) ;PUSER3[F3] triple_na p25: f3 channel - 90 degree low power pulse (hetero TOCSY) ;PUSER4[F3] triple_na p24: f3 channel - 90 degree low power pulse (hetero TOCSY higher sel.) ;PUSER5[F2] triple_na p7 : f2 channel - 90 degree low power pulse (TOCSYhigher sel.) ; ;P_grad1 all p16: homospoil/gradient pulse;P_grad2 all p19: homospoil/gradient pulse 2;P_hsqc all p28: f1 channel - trim pulse at pl1 ;P_mlev all p17: f1 channel - trim pulse at pl10 ;P_mlev all(!lcnmr) p20: f2 channel - trim pulse at pl15 ;P_mlev triple_na p33: f3 channel - trim pulse at pl23 ; ;TROE[F1] default+lcnmr p15: f1 channel - pulse for ROESY spinlock ; ;TTOC[F1] all d9 : TOCSY mixing time;TTOC[F2] triple* d15: TOCSY mixing time (CC)
;$Id: $
© 2006 BRUKER Biospin, Teodor Parella. 249