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


1.G1	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Y 0.41   I 0.24   N 0.19   C 0.13   

	C Shift Assignments>> 	CA :: 40.6(S)	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.62	 	HA3 :: 3.62	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



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

	PRTL>>	C 0.98   

	C Shift Assignments>> 	CA :: 51.1	 	CB :: 36.3	 	CD1 :: 130.6	 	CD2 :: 130.6	 	CE1 :: 115.2	 	CE2 :: 115.2	
	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 :: 7.45	 	HA :: 4.84	 	HB2 :: 2.85	 	HB3 :: 2.97	 	HD1 :: 7.06	 	HD2 :: 7.06	
			 	HE1 :: 6.73	 	HE2 :: 6.73	
	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 :: 120.8	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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



1.Y4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.97   Y 0.01   

	C Shift Assignments>> 	CA :: 50.8	 	CB :: 37.3	 	CD1 :: 130.7	 	CD2 :: 130.7	 	CE1 :: 115.2	 	CE2 :: 115.2	
	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 :: 6.95	 	HA :: 4.90	 	HB2 :: 2.85	 	HB3 :: 2.85	 	HD1 :: 7.00	 	HD2 :: 7.00	
			 	HE1 :: 6.73	 	HE2 :: 6.73	
	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 :: 115.8	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.CPI5 Overall Status: Residue type CPI not supported.



1.Y6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.98   Y 0.01   

	C Shift Assignments>> 	CA :: 51.3	 	CB :: 36.0	 	CD1 :: 130.7	 	CD2 :: 130.7	 	CE1 :: 115.2	 	CE2 :: 115.2	
	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 :: 8.21	 	HA :: 4.73	 	HB2 :: 2.86	 	HB3 :: 2.86	 	HD1 :: 7.04	 	HD2 :: 7.04	
			 	HE1 :: 6.73	 	HE2 :: 6.73	
	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 :: 121.9	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.CPI7 Overall Status: Residue type CPI not supported.



1.NH28 Overall Status: Residue type NH2 not supported.





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

Overall Results:

	      #Consistent:   3      #Clerical:   0      #Suspicious:   0      #Anomalous:   0      #Mistyped:   1      #Indeterminable:   0


Typing Results:

	      #Consistent:   3      #Suspicious:   0      #Mistyped:   1      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:   4      #Suspicious:   0


C Shift Results:

	      #Consistent:  18      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


H Shift Results:

	      #Consistent:  26      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:   3      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.G1	Typing: Mistyped
1.G1	CA = 40.6(S),	 Expected = 45.35, Std = 1.3400, ChiSquare = 3.9295e-04