Start a new ARIA project with NMRView data:

This setup uses the conversion script nmrview_to_peaks.gawk written by Alexandre Bonvin (Utrecht) to convert NMRView peak file into an intermediate file readable by ARIA.
The gawk conversion script can be found in 
aria1.0/Aria/DataIO/nmrview_to_peaks.gawk
This script can handle both 2D and 3D data.

1. Edit the directory names:

For 2D spectra:
Your NMRView .xpk file should look like this:
label dataset sw sf 
1H 1D 
noe_150.nv
{8333.33 } {8333.33 }
{599.8730 } {599.8730 }
 1H.L  1H.P  1H.W  1H.B  1H.E  1H.J  1H.U  1D.L  1D.P  1D.W  1D.B  1D.E  1D.J  1D.U  vol  int  stat  comment  flag0 
0  {?}   11.644   0.000   0.000   ?   0.000   {?}   {?}   4.699   0.022   0.000   ?   0.000   {?}  0.00000 0.10041 0 {?} 0
1  {?}   11.523   0.015   0.015   ++   0.000  {?}   {?}   1.896   0.013   0.004   ?   0.000   {?}  0.00000 0.10952 0 {?} 0
2  {?}   11.492   0.013   0.013   ++   0.000  {?}   {?}   0.917   0.031   0.011   ++   0.000   {?}  0.00000 0.12198 0 {?} 0
3  {?}   11.457   0.003   0.001   ?   0.000   {?}   {?}   2.094   0.005   0.005   ?   0.000   {?}  0.00000 0.10246 0 {?} 0
4  {69.hn}   8.730   0.025   0.036   ++   0.000   {?}   {59.hb#}   1.268   0.036   0.048   ++   0.000   {?}  0.30747 0.30747 0 {?} 0

The converted intermediate file that you should pass to ARIA should look like this:
2D:
100 8.951 1.676 0.16431 999 999 999 999
101 8.949 1.605 0.24283 999 999 999 999
102 8.946 1.468 0.35299 999 999 999 999
103 8.949 0.984 0.45372 72 hn 68 hd1#

999 indicate unassigned protons

For 3D spectra:
Your NMRView .xpk file should look like this:
label dataset sw sf 
1H 1D 15N 
noe_hsqc.nv
{4166.67 } {8333.33 } {1960.78 }
{599.8730 } {599.8730 } { 60.7910 }
 1H.L  1H.P  1H.W  1H.B  1H.E  1H.J  1H.U  1D.L  1D.P  1D.W  1D.B  1D.E  1D.J  1D.U  15N.L  15N.P  15N.W  15N.B  15N.E  15N.J  15N.U  vol  int 

 stat  comment  flag0 
0  {30.hn}   8.688   0.034   0.105   ?   0.000   {?}   {30.hn}   8.688   0.112   0.272   ?   0.000   {?}   {30.n}   130.032   0.505   1.402   ?   0.000   {?}  161.73499 161.73499 0 {?} 0
1  {30.HN}   8.691   0.026   0.042   ++   0.000   {?}   {29.HN}   7.553   0.087   0.145   ++   0.000   {?}   {30.N}   130.017   0.451   0.763   ++   0.000   {?}  3.27768 3.27768 0 {?} 0


The converted intermediate file that you should pass to ARIA should look like this:
3D:
18 124.965 7.538 7.040 5.75296 61 N 61 HN 60 Hn
19 124.971 7.536 3.661 4.10775 61 N 61 HN 63 HA1
20 124.994 7.535 3.207 1.85985 999 999 999 999 999 999

999 indicate unassigned protons

Chemical shift file:
Your NMRView chemical shift file should look like this: 
 17.N      122.016 1
 17.HN       8.440 1
 17.CA      56.335 1
 17.HA       4.383 1
 17.CB      30.890 1
 17.HB2      1.795 2
 17.HB1      1.700 2
 17.HD2      3.207 2
 17.C      176.870 1

Sequence file:
You have two possibilities:
  • use a CNS sequence file which should only contain amino acids in 3-letter code (with spaces or linebreaks as dividers) like that: ASP GLU GLY TRP
  • use a PDB file


    • Current ARIA program directory:           
Path of the new project:                  
Run number:	                          

SPECTRUM 1: Name:                         
            .xpk file:	                  
            ppm file:	                  
            dimensionality:               
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 2: Name:                         
            .xpk file:		          
            ppm file:                     
            dimensionality:               
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 3: Name:                         
            .xpk file:                    
            ppm file:                     
            dimensionality:               
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 4: Name:                         
            .xpk file:                    
            ppm file:                     
            dimensionality:               
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 5: Name:                         
            .xpk file:                    
            ppm file:                     
            dimensionality:               
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

Sequence or PDB file:           
Unambiguous distance restraints:
Ambiguous distance restraints:  
Dihedral angle restraints:      
Karplus restraints 1:           
Karplus restraints 2:           
Karplus restraints 3:           
Karplus restraints 4:           
Karplus restraints 5:           
Residual dipolar couplings 1:   
Residual dipolar couplings 2:   
Residual dipolar couplings 3:   
Residual dipolar couplings 4:   
Residual dipolar couplings 5:   
Hbonds restraints:              
CSI file:                       
CSI dihedral restraints errors: 
TALOS pred file:                
TALOS error factor:             
TALOS minimum error:            					  
Segid of the protein:



    2. Please save the updated parameters somewhere in a directory as new.html:




    3. Type ARIA on the UNIX command line in that directory where you have saved your new.html.