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1
How the NMR Lab works currently?
Sample From User
Collect NMR Data by users
Structure Calc. Display

• Schedule
• Set up Experiments
• Data transfer

• Maintain Software
• Instruction

• Maintain NMRs
• Develop Methods
• Train Users

2
What kinds of high-field NMR we have in IBMS ?

• Probes   5mm
• 1H 5mm probe
• 1H/19F 5mm probe
• 1H/Broad band Reverse 5mm probe
• 1H/15N/13C 5mm probe
• TXI (1H/13C/31P) 5mm with Z gradient
• TXI (1H/13C/15N) 5mm with XYZ gradient
• Probes 8mm
• TXI (1H/13C/15N) 8mm with Z gradient
• Probes 10mm
• 1H 10mm probe
• 1H /19F 10mm probe
• 1H /Broad band 10mm probe

Bruker Avance 600 with XYZ gradient unit
(more than 99 used)
3
Bruker AMX500 with Z gradient unit
(more than 98 used)

• Probes   5mm
• TXI (1H/13C/15N) 5mm with Z gradient

4
What we have done for NMR users?
Information on web homepage for users
information Schedule on the web spectrometer
reservation Simple Operation Manual step by
step instruction Useful Experiments 1D, 2D, 3D,
4D homo-, hetero- nuclear Parameters setting
expt/proc. parameter setting with pp NMR
related Software update and short instruction
NMR Experiments
Data Processing
Structure Calc.
Display Analysis
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Examples of Standard Experiments
Green available for both AVA600 AMX500
Black only available at AVA 600
1D with/without gradient 2D homo with/without
gradient COSY, TOCSY, NOESY, ROESY 2D heter
HSQC, TROSY , dynamics (T1/T2/NOE/CPMG) 3D
tocsy type TOCSY-HSQC, H(CC)(CO)NH, CC(CO)NH,
HCCH-TOCSY 3D noesy type NOESY-HSQC
3D triple resonance for assignment HNCA,
HN(CO)CA, HNCO, HN(CA)CO, HNCACB,
CBCANH, CBCA(CO)NH, HBHANH, HBHA(CO)NH 3D
J-coupling HNHA, HNCA-J, HNHB, HACAHB 4D
noesy type 13C-HMQC-NOESY-15N-HSQC
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Example of currently available software
NMR data processing software XWINNMR  (process
NMR data on IRIX 6.X Linux ) License only
available for older version nmrPipe  (process
NMR data on IRIX6.X Linux) NMR data analysis
software AURELIA  (analyze NMR data on IRIX 6.X
Linux ) License only available for older
version nmrDraw (analyze NMR data on IRIX 6.X
Linux ) nmrView  (analyze NMR data on IRIX 6.X
Linux ) Sparky (analyze NMR data on Linux)
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Structure Calculation program and software CSI
Chemical Shift Index  (making consensus plot on
IRIX) TALOS  (dihedral angles prediction on IRIX
6.X Linux ) XPLOR  (structure calculation on
IRIX) CNS  (structure calculation on IRIX6.X
Linux) ARIA  (auto NOE assign and structure
calculation on IRIX6.X Linux) Structure
display analysis software INSIGHT II (on IRIX
, license from computer center) MOLMOL ( on IRIX
Linux) MOLSCRIPT ( on IRIX) PROCHECK
 (structure analysis on IRIX) GRASP  (on IRIX)
VINCE  (for making NOE connective plot on IRIX)
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• NMR dynamics
• MODELFREE ( on IRIX, Linux Euler )
• NMR data transfer
• sFTP (with security)
• ZIP drive (for personal computer)
• Compact Disk

9
What will/should be new in the High-field
Biomacromolecular Solution NMR core facility?

• More instruments and probes
• upgraded AVA500, AVA600, US800s, Cryoprobes
• More NMR users
• More new/updated experimental methods for
  biomacromolecules
• develop new experiment to fit users requirement
• More software development
• NMR applications (software manager)
• New operating service
• Operators to collect standard experiments
• Others from your suggestion
• Thank You!