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ANALYSIS FOR PARA-IODO NITROBENZENE                  [ILJ] 
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Formula           : C6,H4,N1,O2,I1                                     
Solution chemistry: [C6,H4]1,[N1,O2]1,[I]1 -0                          
All distances below are to the element  I [ iodine       ]


PROTEIN:  2SNS STAPHYLOCOCCAL NUCLEASE                             


Bound Ligands :   CA CALCIUM(II) ION: PTP THYMIDINE INHIBITOR:
Hev Atom conc.: 	 75% SATURATION  
Precip & conc.: 	   0.000 M	                                                    
Buffer & conc.: 	   0.000 M	                                                    
Addict & conc.: 	   0.000 M	                                                    
Comments      :                                                     
Reference     : ARNONE et.al. 1969 :1971 :COTTON et.al. 1966 :1979 :                                                                                                    
pH          Soak time =           Hours   Reference number = 241.01  
Site 1:  35  ARG   NH1   3.46 ( 5.37) . s E [Het:  CACA   - NH2  3.40]  
      :  36  LEU   O     3.08 ( 4.77) . . E [Het: PTP C5M - O    4.00]  
      :  37  LEU   CD2   4.86 ( 3.98) . . T [Het: PTP O4  - CD2  3.70]  
      :  38  LEU   C     5.37 ( 5.13) . . T                             
      :  39  VAL   O     4.13 ( 5.61) . . T                             
      :  83  ASP   OD2   5.98 ( 8.17) . . T [Het: PTP N1  - CB   4.10]  
      :  87  ARG   NH1   5.73 ( 9.21) . s T [Het: PTP C6  - NH1  3.80]  
      :  89  LEU   CD1   5.25 ( 5.89) . . T [Het: PTP N3  - CD2  4.00]  
      : 112  ALA   O     5.04 ( 6.84) . . T                             
      : 113  TYR   CE1   4.86 ( 5.85) . . T [Het: PTP C4  - CB   4.00]  
      : 115  TYR   CE2   5.93 ( 8.90) . . T [Het: PTP C2  - OH   3.70]  
      :   2  PTP   O4*   5.83 (-1.00) . s .