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

	H Shift Assignments>> 	HA2 :: 3.971(D)	 	HA3 :: 3.971(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 0.96   C 0.03   

	C Shift Assignments>> 	CA :: 45.294(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.988(D)	 	HA3 :: 3.988(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.A5	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	A 0.85   M 0.13   C 0.01   

	C Shift Assignments>> 	CA :: 52.848(D)	 	CB :: 19.091(D)	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	HA :: 4.343(D)	 	HB1 :: 1.421(D)	 	HB2 :: 1.421(D)	 	HB3 :: 1.421(D)	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



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

	H Shift Assignments>> 	HA2 :: 3.918(D)	 	HA3 :: 3.918(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:   5      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:   0      #Duplicate:  10      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.G2	CA = 45.373(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.8631e-01
1.G2	HA2 = 3.971(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.9784e-01
1.G2	HA3 = 3.971(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.4783e-01
1.G3	CA = 45.294(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.6667e-01
1.G3	HA2 = 3.988(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.6120e-01
1.G3	HA3 = 3.988(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.1201e-01
1.A5	CA = 52.848(D),	 Expected = 53.14, Std = 1.9800, ChiSquare = 8.8276e-01
1.A5	CB = 19.091(D),	 Expected = 19.01, Std = 1.8300, ChiSquare = 9.6470e-01
1.A5	HA = 4.343(D),	 Expected =  4.26, Std = 0.4400, ChiSquare = 8.5038e-01
1.A5	HB1 = 1.421(D),	 Expected =  1.35, Std = 0.2600, ChiSquare = 7.8479e-01
1.A5	HB2 = 1.421(D),	 Expected =  1.35, Std = 0.2600, ChiSquare = 7.8479e-01
1.A5	HB3 = 1.421(D),	 Expected =  1.35, Std = 0.2600, ChiSquare = 7.8479e-01
1.G6	CA = 44.964(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 7.7330e-01
1.G6	HA2 = 3.918(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 8.8823e-01
1.G6	HA3 = 3.918(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.6120e-01