Assignment Validation Software (AVS)
(c) Hunter Moseley and Gaetano Montelione, 2004


1.ACE1 Overall Status: Residue type ACE not supported.



1.G2	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.96   C 0.03   

	C Shift Assignments>> 	CA :: 45.377(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.962(D)	 	HA3 :: 3.962(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.G3	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.95   C 0.04   

	C Shift Assignments>> 	CA :: 45.053(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.984(D)	 	HA3 :: 3.984(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.MHO4 Overall Status: Residue type MHO not supported.



1.P5	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	P 0.78   C 0.21   

	C Shift Assignments>> 	CA :: 63.774(D)	 	CB :: 32.158(D)	 	CG :: 27.643(D)	 	CD :: 50.871(D)	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.444(D)	 	HB2 :: 2.318(D)	 	HB3 :: 1.974(D)	 	HG2 :: 2.084(D)	 	HG3 :: 2.027(D)	 	HD2 :: 3.826(D)	
			 	HD3 :: 3.678(D)	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.G6	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.95   C 0.04   

	C Shift Assignments>> 	CA :: 44.982(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.934(D)	 	HA3 :: 3.934(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.NH27 Overall Status: Residue type NH2 not supported.





###########################################################################

Overall Results:

	      #Consistent:   0      #Clerical:   4      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   4      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:   4      #Suspicious:   0


C Shift Results:

	      #Consistent:   0      #Duplicate:   7      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:   0      #Duplicate:  13      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:   0      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.G2	CA = 45.377(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.8392e-01
1.G2	HA2 = 3.962(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.8275e-01
1.G2	HA3 = 3.962(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.6692e-01
1.G3	CA = 45.053(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 8.2459e-01
1.G3	HA2 = 3.984(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.6982e-01
1.G3	HA3 = 3.984(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.2040e-01
1.P5	CA = 63.774(D),	 Expected = 63.33, Std = 1.5200, ChiSquare = 7.7021e-01
1.P5	CB = 32.158(D),	 Expected = 31.85, Std = 1.1800, ChiSquare = 7.9408e-01
1.P5	CG = 27.643(D),	 Expected = 27.17, Std = 1.0900, ChiSquare = 6.6433e-01
1.P5	CD = 50.871(D),	 Expected = 50.32, Std = 0.9900, ChiSquare = 5.7782e-01
1.P5	HA = 4.444(D),	 Expected =  4.40, Std = 0.3300, ChiSquare = 8.9393e-01
1.P5	HB2 = 2.318(D),	 Expected =  2.08, Std = 0.3500, ChiSquare = 4.9650e-01
1.P5	HB3 = 1.974(D),	 Expected =  2.00, Std = 0.3600, ChiSquare = 9.4243e-01
1.P5	HG2 = 2.084(D),	 Expected =  1.93, Std = 0.3100, ChiSquare = 6.1935e-01
1.P5	HG3 = 2.027(D),	 Expected =  1.90, Std = 0.3300, ChiSquare = 7.0035e-01
1.P5	HD2 = 3.826(D),	 Expected =  3.65, Std = 0.3500, ChiSquare = 6.1506e-01
1.P5	HD3 = 3.678(D),	 Expected =  3.61, Std = 0.3900, ChiSquare = 8.6158e-01
1.G6	CA = 44.982(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 7.8360e-01
1.G6	HA2 = 3.934(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.2249e-01
1.G6	HA3 = 3.934(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.2678e-01