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


1.W1	Overall: Suspicious 	Typing: Suspicious 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.99   

	C Shift Assignments>> 	CA :: 59.22	 	CB :: 28.97	 	CD1 :: 122.21	 	CE3 :: 121.06	 	CZ2 :: 121.94(S)	 	CZ3 :: 114.73(S)	
			 	CH2 :: 124.66	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 7.71	 	HA :: 4.58	 	HB2 :: 3.06	 	HD1 :: 7.15	 	HE1 :: 10.06	 	HE3 :: 7.62	
			 	HZ2 :: 7.18	 	HZ3 :: 7.48	 	HH2 :: 7.24	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)



1.DTR2 Overall Status: Residue type DTR not supported.



1.V3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	V 0.98   A 0.01   

	C Shift Assignments>> 	CA :: 59.22	 	CB :: 32.18	 	CG1 :: 21.08	 	CG2 :: 19.12	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 7.97	 	HA :: 4.48	 	HB :: 1.93	 	HG11 :: 0.68	 	HG12 :: 0.68	 	HG13 :: 0.68	
			 	HG21 :: 0.49	 	HG22 :: 0.49	 	HG23 :: 0.49	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)



1.DPR4 Overall Status: Residue type DPR not supported.



1.E5	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	E 0.99   

	C Shift Assignments>> 	CA :: 56.76	 	CB :: 29.59	 	CG :: 35.98	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.85	 	HA :: 4.22	 	HB2 :: 2.86(S)	 	HB3 :: 2.16	 	HG2 :: 2.23	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)



1.A6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.99   

	C Shift Assignments>> 	CA :: 52.83	 	CB :: 18.88	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.02	 	HA :: 4.27	 	HB1 :: 1.35	 	HB2 :: 1.35	 	HB3 :: 1.35	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



1.DLY7 Overall Status: Residue type DLY not supported.



1.D8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	D 0.46   L 0.27   Y 0.25   

	C Shift Assignments>> 	CA :: 55.22	 	CB :: 40.16	
	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 :: 7.87	 	HA :: 4.43	 	HB2 :: 2.50	 	HB3 :: 2.15	
	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)





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

Overall Results:

	      #Consistent:   3      #Clerical:   0      #Suspicious:   2      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

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


Shift Relative Order (SRO) Results:

	      #Consistent:   5      #Suspicious:   0


C Shift Results:

	      #Consistent:  16      #Duplicate:   0      #Unknown:   0      #Suspicious:   2      #Anomalous:   0


H Shift Results:

	      #Consistent:  31      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.W1	Typing: Suspicious
1.W1	CZ2 = 121.94(S),	 Expected = 114.26, Std = 1.1200, ChiSquare = 7.0251e-12
1.W1	CZ3 = 114.73(S),	 Expected = 121.35, Std = 1.5300, ChiSquare = 1.5129e-05
1.E5	HB2 = 2.86(S),	 Expected =  2.02, Std = 0.2100, ChiSquare = 6.3342e-05