_____________________________________________________________ 
ANALYSIS FOR THALLIUM (I) FLUORIDE                   [XZB] 
_____________________________________________________________

Formula           : TL1,F1                                             
Solution chemistry: TL1 +1                                             
All distances below are to the element TL [ thallium     ]


PROTEIN:  2SBT SUBTILISIN NOVO                                     


Bound Ligands :  ACN ACETONE MOLECULE:
Hev Atom conc.: 	   2.000 mM  
Precip & conc.: 	  55.000 %	ACETONE/WATER                                       
Buffer & conc.: 	   0.050 M	GLYCINE/NAOH                                        
Addict & conc.: 	          	                                                    
Comments      :                                                     
Reference     : DRENTH et.al. 1972 :                                                                                                                                    
pH    9.1   Soak time =           Hours   Reference number = 262.00  
Site 1:  64  HIS   NE2   5.43 ( 9.09) . . .  
      : 125  SER   OG    5.84 ( 6.43) . . .  
      : 152  ALA   CB    4.64 ( 5.69) . . E  
      : 153  ALA   O     5.61 ( 6.12) . . .  
      : 154  GLY   O     4.64 ( 6.28) . . .  
      : 189  PHE   CE1   5.97 ( 8.94) . . .  
      : 218  ASN   O     5.84 ( 7.25) . . .  
      : 219  GLY   O     4.30 ( 3.70) . . .  
      : 220  THR   OG1   4.39 ( 2.77) . . .  
      : 221  SER   OG    1.77 ( 2.76) . . .  
      : 222  MET   SD    4.45 ( 5.42) . . .  
      : 223  ALA   N     5.83 ( 6.85) . . .