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


1.4PQ4 Overall Status: Residue type 4PQ not supported.



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

	H Shift Assignments>> 	HA2 :: 3.879(D)	 	HA3 :: 3.879(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 :: 45.226(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 4.010(D)	 	HA3 :: 4.010(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.G5	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 :: 45.160(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 4.084(D)	 	HA3 :: 4.084(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



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

	PRTL>>	G 0.94   C 0.05   

	C Shift Assignments>> 	CA :: 44.762(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.938(D)	 	HA3 :: 3.938(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:   4      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:   0      #Duplicate:   8      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.G2	CA = 45.212(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.1798e-01
1.G2	HA2 = 3.879(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 8.0572e-01
1.G2	HA3 = 3.879(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.5474e-01
1.G3	CA = 45.226(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.2627e-01
1.G3	HA2 = 4.010(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.1391e-01
1.G3	HA3 = 4.010(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 7.6624e-01
1.G5	CA = 45.160(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 8.8725e-01
1.G5	HA2 = 4.084(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 7.5800e-01
1.G5	HA3 = 4.084(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 6.1898e-01
1.G6	CA = 44.762(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 6.6080e-01
1.G6	HA2 = 3.938(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.3108e-01
1.G6	HA3 = 3.938(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.1820e-01