Start a new ARIA project with SPARKY data:

1. Edit the directory names:

For 2D spectra:
Your SPARKY NOE list file contains lines like this:

Assignment w1 w2 Volume Fit Height

L21HA-HB2 1.435 1.877 4.86e+08 ga 319789
?-? 3.776 3.218 3.12e+08 ga 205476
?-? 2.257 2.833



For 3D spectra:
Your SPARKY NOE list file contains lines like this:


Assignment w1 w2 w3 Volume Data Height

?-?-? 3.977 45.152 3.982 9.89e+10 lo 186256688
I41HD#-CD-HD# 0.818 12.622 0.820 4.10e+10 lo 116163264
Y26HD#-E28CA-HA 7.338 56.052 4.257 6.76e+09 lo 670847
W76HE3-CE3-HE3 7.491 120.787 7.492 -26023680
?-?-? 7.474 38.300 1.776 88271


For 4D spectra:
Your SPARKY NOE list file contains lines like this:


Assignment w1 w2 w3 w4 Volume Data Height

M36HN-N-Y26N-HN 9.519 122.013 119.995 8.770 2.09e+08 ga 598397
?-?-?-? 6.958 120.361 120.502 8.659 2.06e+08 ga 200166


The chemical shift list:
Your SPARKY ppm list file contains lines like this:


Group Atom Nuc Shift SDev Assignments

R2 CA 13C 56.539 0.003 3
R2 CB 13C 30.808 0.009 3
R2 CD 13C 43.363 0.000 1
R2 CG 13C 27.114 0.005 2
R2 CO 13C 176.552 0.000 1
R2 HA 1H 4.373 0.007 2
R2 HB# 1H 1.828 0.000 2
R2 HD# 1H 3.172 0.000 1
R2 HG# 1H 1.647 0.002 2
G3 CA 13C 45.191 0.022 5
G3 CO 13C 174.024 0.000 1
G3 HA# 1H 3.985 0.003 3
G3 HN 1H 8.659 0.002 17
G3 N 15N 111.115 0.009 17
S4 CA 13C 58.312 0.000 1
S4 CB 13C 63.882 0.000 1
S4 HN 1H 8.251 0.002 9
S4 N 15N 115.445 0.027 9
H9 CA 13C 55.976 0.016 2





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

SPECTRUM 1: Name:                         
            NOE list file:	          
            ppm list file:	          
            NOE volume or intensity:      
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 2: Name:                         
            NOE list file:		  
            ppm list file:                
            NOE volume or intensity:      
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 3: Name:                         
            NOE list file:                
            ppm list file:                
            NOE volume or intensity:      
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 4: Name:                         
            NOE list fe:                  
            ppm list file:                
            NOE volume or intensity:      
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 5: Name:                         
            NOE list file:                
            ppm list file:                
            NOE volume or intensity:      
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            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.