pulse program catalogue: i. 1d & 2d nmr … · pulse program catalogue: i. 1d & 2d nmr...

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


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


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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Pulse Progre.m Directories v J BIUif(l'" $ l Nomenclature ofParam.e-ters Nomenclature ofPulse Programs

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lD E:\.']leiiments 2D Homonuclear

2D Heteronuclear 2D Inverse and Gradieuts

Ia Homonudear

Solvent Suppression Homonw:lear in0 Selective Excitation Homonw:lear & Gradients Selective G-...:- ts · RO Selective & Gradients .nuu.cn Ill-'"2

Band-Selective Homon.w:lear

X-detected In.vuse from f2 clwmel from f3 clwmel

from f2 ch.ann.el from f3 ch.ann.el 2D1ROSY from f2 and f3 ckann.el Relu:ation from f3 ckann.el Inverse X-IDtered

X-de d Inverse Inverse & Gradients Miscellan.eous

ftJCHMeasurement

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

LC-NMR Calibration. & Tests Solid-State DiffiasiDn ur 2a Nw:leic Acids

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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

Interpreting the spectra... G

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Pulse Program Catalogue NMRGuide 4.1 Topspin 2.0

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BRUKER PULSE PROGRAM

CATALOGUE

NMRGuide

BASIC 1D PULSE SEQUENCES



• 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)


I


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


d1


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)



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



zgbs

90º 90º 90º

d1 I

rec

1 3 2

aring

I d1

-x

d13 d13

<Irec

I d1

aring2

d1

-x

d13




CATALOGUE

NMRGuide

T1 & T2 RELAXATION



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




CATALOGUE

NMRGuide

SELECTIVE EXCITATION & SELECTIVE 1D EXPERIMENTS



• 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)



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



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


-----£_ _

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Pulse Program Catalogue NMRGuide 4.1- Topspin 2.0

RUKER IOSPIN

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-----------------------------ao

ms

15a

4 0 ms

,hj...

15b

22

_j 10 ms

2 0 m s

-------

5 .5 5 .0 4.5 4.0 3 . 5 3 . 0 2 . 5 2 . 0 ppm

-----........_..---· - -c=t.

{ 20b}

Three- •pilR

- £-c=t.

}----------A -----!---,-

{16}

16

.23

17

B 111:> 13

4.5 4.0 3. 5 3. 0 2.5 2. 0 pprn


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




CATALOGUE

NMRGuide

1D SOLVENT SUPPRESSION



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



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



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



zgcppr

zgpr

zggpw5

zggpwg

p3919gp

10 9 8 7 6 5 4 3 2 1 0 ppm



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




CATALOGUE

NMRGuide

19F SPECIFIC EXPERIMENTS


H

1H

F

1


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




CATALOGUE

NMRGuide

2H SPECIFIC EXPERIMENTS



• 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)


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




CATALOGUE

NMRGuide

BASIC 1D GRADIENTS


G G


• 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



CATALOGUE

NMRGuide

2D COSY EXPERIMENTS



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)


1


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


H


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




CATALOGUE

NMRGuide

2D COSY-DQF EXPERIMENTS



• 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)



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


G

1

H


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




CATALOGUE

NMRGuide

2D SECSY EXPERIMENTS



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




CATALOGUE

NMRGuide

2D RELAYED EXPERIMENTS



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



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




CATALOGUE

NMRGuide

2D TOCSY EXPERIMENTS



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)


o LC-NMR Experiments


d1

I


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



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


I


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



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




CATALOGUE

NMRGuide

2D ROESY EXPERIMENTS



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-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)


o Selective 1D ROESY Experiments o 2D NOESY Experiments o 2D HSQC-ROESY Experiments

NOE H H


1

H H


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


1 d1

H presat

croesyphpr d0

p15 pl11

1 d1

H presat

troesyphpr d0

p15 sp10

pl9 CW pl9 off-resonance CW



roesyetgp

p15 pl11

roesyetgp.2

p25 pl27

x x x x x 1H d1 d0

CW

1H d1 d0


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


Gz

G1 G1

roesyesgpph

1H d1 d0

Gz

p15 pl11 CW

-x -x pp1122 sp1

G1 G1G2 G2




CATALOGUE

NMRGuide

2D NOESY EXPERIMENTS



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-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)


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



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


1


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



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


H


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




CATALOGUE

NMRGuide

1D & 2D DOUBLE-QUANTUM EXPERIMENTS



• 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)


o 1D & 2D INADEQUATE



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




CATALOGUE

NMRGuide

2D J-RESOLVED EXPERIMENTS


H


• 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.



CATALOGUE

NMRGuide

DECOUPLER PULSE CALIBRATION



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



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




CATALOGUE

NMRGuide

1D DEPT & INEPT EXPERIMENTS



• 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)



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



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



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



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


H

H H

C C


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


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




CATALOGUE

NMRGuide

2D X-DETECTED HETCOR EXPERIMENTS



• 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)


• 2D HMQC • 2D HSQC



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



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


pl12

CPD

pl12

13C d4 d4 d2


d1

E d9

d2 CPD

d0 d0 MLEV-17

d2


1JCH

H H

H H H H

C C C N C C N C

hxdeptph hxdeptqf

º


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




CATALOGUE

NMRGuide

2D COLOC EXPERIMENT



• Magnitude-mode 2D COLOC (colocqf | HCCOLOCSW)


• 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




CATALOGUE

NMRGuide

2D HETERONUCLEAR J-RESOLVED EXPERIMENT



Magnitude-mode 2D Heteronuclear J-Resolved (hjresqf)

hjresqf

1H

13C

CPD

pl12

d1

CPD

pl12

d0




CATALOGUE

NMRGuide

2D HOESY EXPERIMENTS



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




CATALOGUE

NMRGuide

1D & 2D INADEQUATE EXPERIMENTS



• 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


H


H H H H H H


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


inepin

I d1 d21 d21 d3 CPD

pl12

Also see ineptrl1

S d4 d4



H H H H H H


1H

13C d1

inadqf.2 inadph inadqf

CPD

pl12

d4 d4 d0

inadqfsy

1H

13C d1

CPD

pl12

d4 d4 d0 d0




CATALOGUE

NMRGuide

1D INVERSE EXPERIMENTS


C d1


• 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



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



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




CATALOGUE

NMRGuide

2D HMQC EXPERIMENTS



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)


H d2


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


H

H


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


H d2


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



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


d1


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



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


p14p14


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


•

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




CATALOGUE

NMRGuide

2D DEPT-HMQC EXPERIMENTS



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




CATALOGUE

NMRGuide

2D HSQC EXPERIMENTS



FROM F2 CHANNEL

• Phase-cycled:

Phase-sensitive 2D HSQC (hsqcph)


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)



FROM F3 CHANNEL

• Phase-cycled:

Phase-sensitive 2D 1H-15N HSQC (hsqcf3ph)


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)


1

H

1


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


1

1


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



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


/


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



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


1


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


H

G


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



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



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


1


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



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




CATALOGUE

NMRGuide

2D MULTIPLICITY-EDITED HSQC EXPERIMENTS



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



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



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


d4

d4

d4


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


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




CATALOGUE

NMRGuide

2D CONSTANT-TIME HSQC AND HMQC

EXPERIMENTS



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



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



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




CATALOGUE

NMRGuide

2D INVERSE-INEPT EXPERIMENT



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




CATALOGUE

NMRGuide

2D SPIN-EDITED HSQC EXPERIMENTS



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)



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



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



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



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




CATALOGUE

NMRGuide

2D TROSY EXPERIMENTS



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



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



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



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


H


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




CATALOGUE

NMRGuide

2D CRINEPT EXPERIMENT



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




CATALOGUE

NMRGuide

2D HMQC-COSY EXPERIMENTS



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



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



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




CATALOGUE

NMRGuide

2D HMQC-TOCSY EXPERIMENTS



• 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-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)


H d2 d2

1


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



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


p14p14


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


p14p14

H


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




CATALOGUE

NMRGuide

2D HMQC-ROESY EXPERIMENTS


CH


• 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)


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


GARP

pl12

GARP

pl16

G2

G1 G1


p14p14

p14p14

NH


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


8

GARP pl16

13C optional

Gz

8 8 pp1144 sp3

GARP pl12

G1 G1

G2

G1 G1




CATALOGUE

NMRGuide

2D HMQC-NOESY EXPERIMENTS


CH


• 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


p14p14

NH


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




CATALOGUE

NMRGuide

2D HSQC-TOCSY EXPERIMENTS



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



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



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



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


p24p24 p24p24


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


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

-

85

90

1 9



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




CATALOGUE

NMRGuide

2D HSQC-ROESY EXPERIMENTS




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)


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)


CH


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


GARP

pl12

GARP

pl16 G2


NH


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




CATALOGUE

NMRGuide

2D HSQC-NOESY EXPERIMENTS


CH



Phase-sensitive ge-2D HSQC-NOESY using echo-antiecho and adiabatic pulses (hsqcetgpnosp | HSQCETGPNOSP)


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


NH


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


· ..

35

4


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



CATALOGUE

NMRGuide

2D HMBC EXPERIMENTS



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


H


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


H

1

1


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


1

z

1


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



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




CATALOGUE

NMRGuide

2D EXPERIMENTS TO MEASURE LONG-RANGE PROTON-CARBON

COUPLING CONSTANTS



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


H

G


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



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


z


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



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



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



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




CATALOGUE

NMRGuide

2D ADEQUATE EXPERIMENTS



• 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)



H H H H H

H 1JCH


H H H H H

H 1JCH


H H H H H

H 1JCH


2JCH

H H H H H H


3JCH

H H H H H H


3JCH

H H H H H H


3JCH

H H H H H H



1

G


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


G


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


1

H

H


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




CATALOGUE

NMRGuide

DIFFUSION/DOSY EXPERIMENTS



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)



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



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



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



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




CATALOGUE

NMRGuide

1D & 2D SATURATION TRANSFER DIFFERENCE (STD) EXPERIMENTS



• 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)


G


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



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



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



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



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



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



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



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




CATALOGUE

NMRGuide

CLEANEX EXPERIMENTS



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


G


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




CATALOGUE

NMRGuide

LC-NMR EXPERIMENTS



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)



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


H

1

1

1


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



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


1

1


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


1


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


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


pl10



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




CATALOGUE

NMRGuide

BASIC SOLID-STATE NMR EXPERIMENTS


1


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




CATALOGUE

NMRGuide

APPENDIX



;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



;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



; 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: $



;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]}

2006 BRUKER Biospin, Teodor Parella. 241


; 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]}



;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]}



; 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



; 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

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;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


;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)


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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) ;



;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)



;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)

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pulse program catalogue: i. 1d & 2d nmr … · pulse program catalogue: i. 1d & 2d nmr...

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