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 :: 175.157(D)	 	CA :: 45.365(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.250(D)	 	HA2 :: 3.979(D)	 	HA3 :: 3.979(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 114.168(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 0.03   

	C Shift Assignments>> 	C :: 174.729(D)	 	CA :: 45.183(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.402(D)	 	HA2 :: 3.999(D)	 	HA3 :: 3.999(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 108.802(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	G 0.94   C 0.04   D 0.01   

	C Shift Assignments>> 	C :: 173.780(D)	 	CA :: 45.005(D)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.330(D)	 	HA2 :: 3.997(D)	 	HA3 :: 3.997(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 108.680(D)	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.D5	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Duplicate

	PRTL>>	D 0.63   C 0.36   

	C Shift Assignments>> 	C :: 177.294(D)	 	CA :: 52.025(D)	 	CB :: 38.435(D)	 	CG :: 177.511(D)	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.349(D)	 	HA :: 4.791(D)	 	HB2 :: 2.969(D)	 	HB3 :: 2.969(D)	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 119.328(D)	
	Ave N Shift Values>> 	N :: 120.65(3.86)





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

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:  10      #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:   4      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.G2	C = 175.157(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 4.9361e-01
1.G2	CA = 45.365(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.9107e-01
1.G2	H = 8.250(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.0205e-01
1.G2	HA2 = 3.979(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.8059e-01
1.G2	HA3 = 3.979(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 8.3093e-01
1.G2	N = 114.168(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 2.4512e-01
1.G3	C = 174.729(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 6.4773e-01
1.G3	CA = 45.183(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 9.0082e-01
1.G3	H = 8.402(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.1180e-01
1.G3	HA2 = 3.999(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.3753e-01
1.G3	HA3 = 3.999(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 7.8903e-01
1.G3	N = 108.802(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 8.2253e-01
1.G4	C = 173.780(D),	 Expected = 173.87, Std = 1.8800, ChiSquare = 9.6182e-01
1.G4	CA = 45.005(D),	 Expected = 45.35, Std = 1.3400, ChiSquare = 7.9682e-01
1.G4	H = 8.330(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 1.0000e+00
1.G4	HA2 = 3.997(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 9.4183e-01
1.G4	HA3 = 3.997(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 7.9320e-01
1.G4	N = 108.680(D),	 Expected = 109.67, Std = 3.8700, ChiSquare = 7.9809e-01
1.D5	C = 177.294(D),	 Expected = 176.40, Std = 1.7500, ChiSquare = 6.0945e-01
1.D5	CA = 52.025(D),	 Expected = 54.69, Std = 2.0300, ChiSquare = 1.8925e-01
1.D5	CB = 38.435(D),	 Expected = 40.88, Std = 1.6200, ChiSquare = 1.3123e-01
1.D5	CG = 177.511(D),	 Expected = 179.17, Std = 1.7900, ChiSquare = 3.5402e-01
1.D5	H = 8.349(D),	 Expected =  8.31, Std = 0.5800, ChiSquare = 9.4639e-01
1.D5	HA = 4.791(D),	 Expected =  4.59, Std = 0.3200, ChiSquare = 5.2992e-01
1.D5	HB2 = 2.969(D),	 Expected =  2.72, Std = 0.2600, ChiSquare = 3.3822e-01
1.D5	HB3 = 2.969(D),	 Expected =  2.66, Std = 0.2800, ChiSquare = 2.6978e-01
1.D5	N = 119.328(D),	 Expected = 120.65, Std = 3.8600, ChiSquare = 7.3198e-01