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ANALYSIS FOR BARIUM (II) CHLORIDE                    [BKA] 
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Formula           : BA1,CL2                                            
Solution chemistry: BA1 +2                                             
All distances below are to the element BA [ barium       ]


PROTEIN:  2SNS STAPHYLOCOCCAL NUCLEASE                             


Bound Ligands :   CA CALCIUM(II) ION: PTP THYMIDINE INHIBITOR:
Hev Atom conc.: 	   0.050 mM  
Precip & conc.: 	  40.000 %	MPD                                                 
Buffer & conc.: 	          	TRIS/HCL                                            
Addict & conc.: 	   0.032 M	THYMIDINE 3'5'DIPHOSPHATE                           
Comments      :                                                     
Reference     : ARNONE et.al. 1969 :1971 :COTTON et.al. 1966 :1979 :                                                                                                    
pH    8.2   Soak time =           Hours   Reference number = 241.00  
Site 1:  19  ASP   OD1   4.63 ( 8.04) . . E                             
      :  21  ASP   OD1   2.88 ( 6.23) . s E [Het:  CACA   - CG   3.50]  
      :  35  ARG   NH1   5.87 ( 9.41) . s E [Het:  CACA   - NH2  3.40]  
      :  40  ASP   OD1   2.82 ( 5.04) . s T [Het:  CACA   - CG   3.80]  
      :  41  THR   OG1   3.95 ( 4.39) . s T [Het:  CACA   - N    3.60]  
      :  42  PRO   O     4.77 ( 5.26) . . T                             
      :  43  GLU   OE1   3.87 ( 4.23) . . T                             
      :  44  THR   N     5.45 ( 6.71) . . T                             
      :  52  GLU   OE1   5.90 ( 9.32) . . T                             
      : 113  TYR   OH    5.93 (11.60) . . T [Het: PTP C4  - CB   4.00]  
      :   1   CA  CA     0.70 (-1.00) . . .                             
      :   2  PTP   P5*   4.04 (-1.00) . s .                             
      :  70  LYS   NZ    5.62 (10.81) . . T