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


1.ACE1 Overall Status: Residue type ACE not supported.



1.Y2	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Duplicate 	H Shifts: Duplicate 	N Shifts: Duplicate

	PRTL>>	C 0.99   

	C Shift Assignments>> 	CA :: 50.2(D)	 	CB :: 36.3(D)	 	CD1 :: 130.7(D)	 	CD2 :: 130.7(D)	 	CE1 :: 115.2(D)	 	CE2 :: 115.2(D)	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 6.64(D)	 	HA :: 5.03(D)	 	HB2 :: 2.64(D)	 	HB3 :: 2.64(D)	 	HD1 :: 7.04(D)	 	HD2 :: 7.04(D)	
			 	HE1 :: 6.72(D)	 	HE2 :: 6.72(D)	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 120.4(D)	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.CPI3 Overall Status: Residue type CPI not supported.



1.NME4 Overall Status: Residue type NME not supported.





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

Overall Results:

	      #Consistent:   0      #Clerical:   1      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   1      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:   1      #Suspicious:   0


C Shift Results:

	      #Consistent:   0      #Duplicate:   6      #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:   1      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.Y2	CA = 50.2(D),	 Expected = 58.13, Std = 2.5100, ChiSquare = 1.5811e-03
1.Y2	CB = 36.3(D),	 Expected = 39.32, Std = 2.1600, ChiSquare = 1.6207e-01
1.Y2	CD1 = 130.7(D),	 Expected = 132.77, Std = 1.1700, ChiSquare = 7.6855e-02
1.Y2	CD2 = 130.7(D),	 Expected = 132.73, Std = 1.3000, ChiSquare = 1.1840e-01
1.Y2	CE1 = 115.2(D),	 Expected = 117.93, Std = 1.1900, ChiSquare = 2.1784e-02
1.Y2	CE2 = 115.2(D),	 Expected = 117.90, Std = 1.1800, ChiSquare = 2.2130e-02
1.Y2	H = 6.64(D),	 Expected =  8.32, Std = 0.7300, ChiSquare = 2.1371e-02
1.Y2	HA = 5.03(D),	 Expected =  4.63, Std = 0.5600, ChiSquare = 4.7505e-01
1.Y2	HB2 = 2.64(D),	 Expected =  2.91, Std = 0.3700, ChiSquare = 4.6556e-01
1.Y2	HB3 = 2.64(D),	 Expected =  2.84, Std = 0.3900, ChiSquare = 6.0808e-01
1.Y2	HD1 = 7.04(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 7.1387e-01
1.Y2	HD2 = 7.04(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 7.1387e-01
1.Y2	HE1 = 6.72(D),	 Expected =  6.70, Std = 0.2300, ChiSquare = 9.3071e-01
1.Y2	HE2 = 6.72(D),	 Expected =  6.71, Std = 0.2300, ChiSquare = 9.6532e-01
1.Y2	N = 120.4(D),	 Expected = 120.52, Std = 4.2000, ChiSquare = 9.7721e-01