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Solvent pH is 1.000
GL4 17 : Offset inf Pred inf Frac Prot 1.000 Transitions 0
AS4 42 : Offset inf Pred inf Frac Prot 1.000 Transitions 0
AS4 59 : Offset -0.275 Pred 0.725 Frac Prot 0.347 Transitions 5
Average total molecular protonation: 2.347
Solvent pH is 2.000
GL4 17 : Offset inf Pred inf Frac Prot 1.000 Transitions 0
AS4 42 : Offset inf Pred inf Frac Prot 1.000 Transitions 0
AS4 59 : Offset -0.489 Pred 1.511 Frac Prot 0.245 Transitions 5
Average total molecular protonation: 2.245
Solvent pH is 3.000
GL4 17 : Offset 1.371 Pred 4.371 Frac Prot 0.959 Transitions 4
AS4 42 : Offset inf Pred inf Frac Prot 1.000 Transitions 0
AS4 59 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
Average total molecular protonation: 1.959
Solvent pH is 4.000
GL4 17 : Offset 0.538 Pred 4.538 Frac Prot 0.776 Transitions 8
AS4 42 : Offset -0.355 Pred 3.645 Frac Prot 0.306 Transitions 14
AS4 59 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
Average total molecular protonation: 1.082
Solvent pH is 5.000
GL4 17 : Offset -0.236 Pred 4.764 Frac Prot 0.367 Transitions 11
AS4 42 : Offset -1.371 Pred 3.629 Frac Prot 0.041 Transitions 2
AS4 59 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
Average total molecular protonation: 0.408
Solvent pH is 6.000
GL4 17 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
AS4 42 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
AS4 59 : Offset inf Pred inf Frac Prot 0.000 Transitions 0
Average total molecular protonation: 0.000
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