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


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



1.S2	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	T 0.99   

	C Shift Assignments>> 	CA :: 56.275	 	CB :: 70.580(S)	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.500	 	HA :: 4.823	 	HB2 :: 3.878	 	HB3 :: 4.087	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)



1.T3	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.98   A 0.01   

	C Shift Assignments>> 	CA :: 59.775	 	CB :: 81.526(A)	 	CG2 :: 21.198	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.821	 	HA :: 4.821	 	HB :: 4.396	 	HG21 :: 1.353	 	HG22 :: 1.353	 	HG23 :: 1.353	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)



1.T4	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.98   A 0.01   

	C Shift Assignments>> 	CA :: 59.532	 	CB :: 79.731(S)	 	CG2 :: 21.383	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.884	 	HA :: 4.561	 	HB :: 4.273	 	HG21 :: 1.291	 	HG22 :: 1.291	 	HG23 :: 1.291	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)



1.A5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.96   C 0.03   

	C Shift Assignments>> 	CA :: 51.372	 	CB :: 20.733	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.398	 	HA :: 4.391	 	HB1 :: 1.375	 	HB2 :: 1.375	 	HB3 :: 1.375	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



1.V6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	V 0.78   C 0.21   

	C Shift Assignments>> 	CA :: 63.760	 	CB :: 32.906	 	CG1 :: 21.489	 	CG2 :: 20.485	
	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 :: 7.785	 	HA :: 3.917	 	HB :: 2.031	 	HG11 :: 0.891	 	HG12 :: 0.891	 	HG13 :: 0.891	
			 	HG21 :: 0.898	 	HG22 :: 0.898	 	HG23 :: 0.898	
	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)



2.A2G1 Overall Status: Residue type A2G not supported.





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

Overall Results:

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


Typing Results:

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


Shift Relative Order (SRO) Results:

	      #Consistent:   5      #Suspicious:   0


C Shift Results:

	      #Consistent:  11      #Duplicate:   0      #Unknown:   0      #Suspicious:   2      #Anomalous:   1


H Shift Results:

	      #Consistent:  30      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.S2	Typing: Mistyped
1.S2	CB = 70.580(S),	 Expected = 63.80, Std = 1.4800, ChiSquare = 4.6258e-06
1.T3	Typing: Mistyped
1.T3	CB = 81.526(A),	 Expected = 69.73, Std = 1.6300, ChiSquare = 4.5936e-13
1.T4	Typing: Mistyped
1.T4	CB = 79.731(S),	 Expected = 69.73, Std = 1.6300, ChiSquare = 8.4848e-10