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: Duplicate

	PRTL>>	G 0.96   C 0.03   

	C Shift Assignments>> 	C :: 175.000(D)	 	CA :: 45.394(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.254(D)	 	HA2 :: 3.969(D)	 	HA3 :: 3.969(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 114.110(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	G 0.95   C 0.04   

	C Shift Assignments>> 	C :: 173.809(D)	 	CA :: 44.968(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.345(D)	 	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)

	N Shift Assignments>> 	N :: 108.503(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.IAS4 Overall Status: Residue type IAS not supported.



1.G5	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Duplicate

	PRTL>>	G 0.95   C 0.04   

	C Shift Assignments>> 	C :: 174.822(D)	 	CA :: 44.997(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.416(D)	 	HA2 :: 3.983(D)	 	HA3 :: 3.983(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 114.041(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	G 0.94   C 0.05   

	C Shift Assignments>> 	C :: 176.910(D)	 	CA :: 44.801(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.327(D)	 	HA2 :: 3.945(D)	 	HA3 :: 3.945(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 109.580(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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:   8      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:   0      #Duplicate:  12      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:   0      #Duplicate:   4      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.G2	C = 175.000(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 5.4780e-01
1.G2	CA = 45.394(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.7381e-01
1.G2	H = 8.254(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.0692e-01
1.G2	HA2 = 3.969(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.9784e-01
1.G2	HA3 = 3.969(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.5206e-01
1.G2	N = 114.110(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 2.5126e-01
1.G3	C = 173.809(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 9.7412e-01
1.G3	CA = 44.968(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 7.7559e-01
1.G3	H = 8.345(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.8159e-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.G3	N = 108.503(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 7.6299e-01
1.G5	C = 174.822(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 6.1259e-01
1.G5	CA = 44.997(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 7.9222e-01
1.G5	H = 8.416(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 8.9474e-01
1.G5	HA2 = 3.983(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.7197e-01
1.G5	HA3 = 3.983(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.2250e-01
1.G5	N = 114.041(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 2.5870e-01
1.G6	C = 176.910(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 1.0587e-01
1.G6	CA = 44.801(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 6.8202e-01
1.G6	H = 8.327(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.9632e-01
1.G6	HA2 = 3.945(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.4613e-01
1.G6	HA3 = 3.945(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.0320e-01
1.G6	N = 109.580(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 9.8145e-01