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ANALYSIS FOR PHENYL MERCURI BENZOATE (PMB)           [HBF] 
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Formula           : C7,H6,O2,HG1                                       
Solution chemistry: [C6,H5]1,[(HG1),(C1,O2)]1 -1                       
All distances below are to the element HG [ mercury      ]


PROTEIN:  4HHB HAEMOGLOBIN (HUMAN, DEOXY, UNRESTRAINED)            


Bound Ligands :  HEM PROTOPORPHYRIN IX GRP CONTAINS FE(2+): PO4 PHOSPHATE GROUP:
Hev Atom conc.: 	   0.062 mM  
Precip & conc.: 	          	AMMONIUM SULPHATE                                   
Buffer & conc.: 	          	                                                    
Addict & conc.: 	          	                                                    
Comments      : CO-XL:MIX 30ML 6% OXYHB IN .01M PHOS,PH 7.6 WITH 1  
Reference     : ARNONE et.al. 1976 :GEER et.al. 1970 :MUIRHEAD et.al. 1967 :                                                                                            
pH    6.5   Soak time =      1.00 Hours   Reference number =   4.00  
Site 1:  90  GLU D O     5.77 ( 6.98) . . H  
      :  93  CYS D SG    2.10 ( 3.85) . . H  
      :  94  ASP D OD1   2.58 ( 3.62) . . .  
      :  95  LYS D N     5.84 ( 7.28) . . .  
      :  97  HIS D ND1   5.49 ( 6.66) . . .  
      : 144  LYS D O     5.67 ( 7.80) . . .  
      : 145  TYR D CD1   5.63 ( 5.63) . . .  
      : 146  HIS D OXT   5.71 ( 5.35) . . .  
      :  46  HOH   O     4.27 (-1.00) . . .  
      : 106  HOH   O     2.77 (-1.00) . . .  
      : 120  HOH   O     3.81 (-1.00) . . .  
Site 2:  90  GLU B O     5.52 ( 7.00) . . H  
      :  93  CYS B SG    2.09 ( 4.13) . . H  
      :  94  ASP B OD1   2.58 ( 3.64) . . .  
      : 144  LYS B O     5.63 ( 7.81) . . .  
      : 145  TYR B CE1   5.97 ( 5.52) . . .  
      : 146  HIS B OXT   5.44 ( 4.97) . . .  
      :  13  HOH   O     4.16 (-1.00) . . .  
      :  85  HOH   O     4.20 (-1.00) . . .  
      : 179  HOH   O     2.96 (-1.00) . . .