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


1.N1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.5   D 0.37   Y 0.11   

	C Shift Assignments>> 	CA :: 53.5406	 	CB :: 39.6352	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 7.9676	 	HA :: 4.4280	 	HB2 :: 2.3450	 	HB3 :: 2.2587	 	HD21 :: 7.2434	 	HD22 :: 6.8358	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 123.7442	 	ND2 :: 109.4113	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.DTY2 Overall Status: Residue type DTY not supported.



1.DSG3 Overall Status: Residue type DSG not supported.



1.Q4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.58   K 0.4   

	C Shift Assignments>> 	CA :: 53.5542	 	CB :: 29.6571	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.1256	 	HA :: 4.4335	 	HB2 :: 1.9252	 	HB3 :: 1.7953	 	HG2 :: 2.1295	 	HG3 :: 2.1380	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 116.0043	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.P5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.3   V 0.24   S 0.22   T 0.21   Y 0.01   

	C Shift Assignments>> 	CA :: 63.2751	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.2863	 	HB2 :: 2.1359	 	HB3 :: 1.9953	 	HG2 :: 1.8838	 	HG3 :: 1.8004	 	HD2 :: 3.8084	
			 	HD3 :: 3.6443	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.DSG6 Overall Status: Residue type DSG not supported.



1.S7	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	D 0.51   N 0.34   Y 0.09   K 0.04   

	C Shift Assignments>> 	CA :: 53.4161	 	CB :: 40.5468(A)	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.7829	 	HA :: 4.6124	 	HB2 :: 2.6531(S)	 	HB3 :: 2.2884(S)	
	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)

	N Shift Assignments>> 	N :: 118.9516	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.KV68 Overall Status: Residue type KV6 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:   6      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


H Shift Results:

	      #Consistent:  21      #Duplicate:   0      #Unknown:   0      #Suspicious:   2      #Anomalous:   0


N Shift Results:

	      #Consistent:   4      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.S7	Typing: Mistyped
1.S7	CB = 40.5468(A),	 Expected = 63.80, Std = 1.4800, ChiSquare = 1.2592e-55
1.S7	HB2 = 2.6531(S),	 Expected =  3.88, Std = 0.2500, ChiSquare = 9.2198e-07
1.S7	HB3 = 2.2884(S),	 Expected =  3.85, Std = 0.2700, ChiSquare = 7.3074e-09