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


1.P1	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 173.033(D)	 	CA :: 62.615(D)	 	CB :: 32.353(D)	 	CG :: 26.672(D)	 	CD :: 49.268(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 :: 4.442(D)	 	HB2 :: 2.488(D)	 	HB3 :: 2.107(D)	 	HG2 :: 2.084(D)	 	HG3 :: 2.084(D)	 	HD2 :: 3.443(D)	
			 	HD3 :: 3.405(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.G2	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.99   

	C Shift Assignments>> 	C :: 174.242(D)	 	CA :: 45.271(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.G3	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.99   

	C Shift Assignments>> 	C :: 174.609(D)	 	CA :: 45.236(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 4.019(D)	 	HA3 :: 4.019(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.G4	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Indeterminable

	PRTL>>	G 0.99   

	C Shift Assignments>> 	C :: 176.759(D)	 	CA :: 44.762(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.946(D)	 	HA3 :: 3.946(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.NH25 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:  11      #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.P1	C = 173.033(D),	 Expected = 176.75, Std = 1.5100, ChiSquare = 1.3832e-02
1.P1	CA = 62.615(D),	 Expected = 63.33, Std = 1.5200, ChiSquare = 6.3807e-01
1.P1	CB = 32.353(D),	 Expected = 31.85, Std = 1.1800, ChiSquare = 6.6991e-01
1.P1	CG = 26.672(D),	 Expected = 27.17, Std = 1.0900, ChiSquare = 6.4776e-01
1.P1	CD = 49.268(D),	 Expected = 50.32, Std = 0.9900, ChiSquare = 2.8795e-01
1.P1	HA = 4.442(D),	 Expected =  4.40, Std = 0.3300, ChiSquare = 8.9872e-01
1.P1	HB2 = 2.488(D),	 Expected =  2.08, Std = 0.3500, ChiSquare = 2.4373e-01
1.P1	HB3 = 2.107(D),	 Expected =  2.00, Std = 0.3600, ChiSquare = 7.6630e-01
1.P1	HG2 = 2.084(D),	 Expected =  1.93, Std = 0.3100, ChiSquare = 6.1935e-01
1.P1	HG3 = 2.084(D),	 Expected =  1.90, Std = 0.3300, ChiSquare = 5.7713e-01
1.P1	HD2 = 3.443(D),	 Expected =  3.65, Std = 0.3500, ChiSquare = 5.5423e-01
1.P1	HD3 = 3.405(D),	 Expected =  3.61, Std = 0.3900, ChiSquare = 5.9914e-01
1.G2	C = 174.242(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 8.4314e-01
1.G2	CA = 45.271(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.5299e-01
1.G2	HA2 = 4.084(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 7.5800e-01
1.G2	HA3 = 4.084(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 6.1898e-01
1.G3	C = 174.609(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 6.9426e-01
1.G3	CA = 45.236(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.3220e-01
1.G3	HA2 = 4.019(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 8.9464e-01
1.G3	HA3 = 4.019(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 7.4774e-01
1.G4	C = 176.759(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 1.2437e-01
1.G4	CA = 44.762(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 6.6080e-01
1.G4	HA2 = 3.946(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.4828e-01
1.G4	HA3 = 3.946(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 9.0106e-01