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


1.F1	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.99   

	C Shift Assignments>> 	CA :: 55.350	 	CB :: 53.266(A)	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 8.207	 	HA :: 4.431	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)



1.DHA2 Overall Status: Residue type DHA not supported.



1.DAL3 Overall Status: Residue type DAL not supported.



1.L4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	D 0.4   L 0.29   F 0.19   C 0.1   

	C Shift Assignments>> 	C :: 173.692	 	CA :: 55.109	 	CB :: 40.823	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.396	 	HA :: 4.186	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)



1.DHA5 Overall Status: Residue type DHA not supported.



1.L6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	D 0.43   L 0.37   F 0.12   C 0.07   

	C Shift Assignments>> 	C :: 174.745	 	CA :: 54.290	 	CB :: 41.597	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.431	 	HA :: 4.372	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)



1.C7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.76   F 0.21   H 0.01   

	C Shift Assignments>> 	C :: 173.022	 	CA :: 57.298	 	CB :: 36.375	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.941	 	HA :: 4.539	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)



1.A8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.94   C 0.02   L 0.02   

	C Shift Assignments>> 	C :: 176.921	 	CA :: 50.844	 	CB :: 20.480	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.299	 	HA :: 4.174	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)





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

Overall Results:

	      #Consistent:   4      #Clerical:   0      #Suspicious:   0      #Anomalous:   0      #Mistyped:   1      #Indeterminable:   0


Typing Results:

	      #Consistent:   4      #Suspicious:   0      #Mistyped:   1      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:   5      #Suspicious:   0


C Shift Results:

	      #Consistent:  13      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


H Shift Results:

	      #Consistent:  10      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.F1	Typing: Mistyped
1.F1	CB = 53.266(A),	 Expected = 39.99, Std = 2.0900, ChiSquare = 2.1232e-10