_____________________________________________________________ 
ANALYSIS FOR DIACETOXYMERCURY DIPOPYLENE DIOXIDE (DM [HBU] 
_____________________________________________________________
Formula : C10,H16,O6,HG2 Solution chemistry: [C4,O2,H4]1,[C1,H3]1,[(HG1),(O1),(C1,O1),(C1,H3)]1 All distances below are to the element HG [ mercury ]
PROTEIN: 3FAB IMMUNOGLOBULIN FAB (PRIME) NEW
Hev Atom conc.: 75% SATURATION Precip & conc.: 45.000 % AMMONIUM SULPHATE Buffer & conc.: 1.500 M SODIUM/POTASSIUM PHOSPHATE Addict & conc.: 0.000 M Comments : Reference : POLJAK et.al. 1971 :1972 : pH 6.0 Soak time = Hours Reference number = 137.00 Site 1: 29 GLY L O 5.70 ( 7.26) . . . : 30 ASN L OD1 4.48 ( 4.03) . . . : 31 HIS L CB 5.54 ( 5.88) . . E : 90 TYR L CE1 5.10 ( 4.82) . . E : 91 ASP L N 5.51 ( 6.36) . . E : 100 ILE H CG2 5.12 ( 6.69) . . E : 101 ALA H N 5.77 ( 6.10) . . E : 200 GLU L OE1 3.98 ( 5.06) . . . Site 2: 139 SER L OG 5.32 ( 6.44) . . E : 140 ASP L OD1 5.92 ( 7.51) . . E : 169 GLN L OE1 3.90 ( 7.84) . . E : 167 VAL H O 5.65 ( 6.79) . . E : 168 HIS H ND1 5.32 ( 5.05) . . E : 170 PHE H CE2 5.56 ( 7.67) . . E Site 3: 59 THR H OG1 3.72 ( 5.48) . . . : 60 ASP H O 5.87 ( 6.90) . . . : 61 THR H O 5.85 ( 5.87) . . . : 64 ARG H NH1 5.91 ( 3.71) . . . : 65 SER H N 4.60 ( 5.74) . . . Site 4: 49 HIS L NE2 0.92 ( 4.97) . . . : 50 ASN L OD1 4.83 ( 6.54) . . . : 84 ASP L OD1 4.05 ( 6.95) . . E : 104 LYS L NZ 4.46 ( 6.21) . . E [Het: NDPAO1 - C 4.10] : 43 ARG H NH1 3.82 ( 6.14) . . E