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


1.DPR1 Overall Status: Residue type DPR not supported.



1.MAA2 Overall Status: Residue type MAA not supported.



1.A3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.84   M 0.15   

	C Shift Assignments>> 	C :: 174.0	 	CA :: 49.6	 	CB :: 16.3	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.69	 	HA :: 4.47	 	HB1 :: 1.40	 	HB2 :: 1.40	 	HB3 :: 1.40	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 118.6	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.DVA4 Overall Status: Residue type DVA not supported.



1.MLE5 Overall Status: Residue type MLE not supported.



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

	PRTL>>	A 0.91   L 0.08   

	C Shift Assignments>> 	CA :: 50.4	 	CB :: 41.1	 	CG :: 25.0	 	CD1 :: 21.3	 	CD2 :: 23.4	
	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 :: 6.93	 	HA :: 4.58	 	HB2 :: 1.51	 	HB3 :: 1.87	 	HG :: 1.70	 	HD11 :: 0.96	
			 	HD12 :: 0.96	 	HD13 :: 0.96	 	HD21 :: 0.98	 	HD22 :: 0.98	 	HD23 :: 0.98	
	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)

	N Shift Assignments>> 	N :: 116.3	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.L7	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	A 0.99   

	C Shift Assignments>> 	CA :: 51.8	 	CB :: 38.7	 	CG :: 24.7	 	CD1 :: 20.4	 	CD2 :: 23.4	
	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 :: 5.82(S)	 	HA :: 4.11	 	HB2 :: 1.69	 	HB3 :: 1.26	 	HG :: 1.78	 	HD11 :: 0.86	
			 	HD12 :: 0.86	 	HD13 :: 0.86	 	HD21 :: 0.98	 	HD22 :: 0.98	 	HD23 :: 0.98	
	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.P8	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.99   

	C Shift Assignments>> 	C :: 170.4(S)	 	CA :: 60.7	 	CB :: 31.7	 	CG :: 22.0(S)	 	CD :: 46.9(S)	
	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 :: 4.28	 	HB2 :: 2.60	 	HB3 :: 2.00	 	HG2 :: 1.88	 	HG3 :: 1.67	 	HD2 :: 3.51	
			 	HD3 :: 3.38	
	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.DLE9 Overall Status: Residue type DLE not supported.





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

Overall Results:

	      #Consistent:   2      #Clerical:   0      #Suspicious:   1      #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:  15      #Duplicate:   0      #Unknown:   0      #Suspicious:   3      #Anomalous:   0


H Shift Results:

	      #Consistent:  33      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.L7	H = 5.82(S),	 Expected =  8.23, Std = 0.6500, ChiSquare = 2.0916e-04
1.P8	Typing: Mistyped
1.P8	C = 170.4(S),	 Expected = 176.75, Std = 1.5100, ChiSquare = 2.6074e-05
1.P8	CG = 22.0(S),	 Expected = 27.17, Std = 1.0900, ChiSquare = 2.1045e-06
1.P8	CD = 46.9(S),	 Expected = 50.32, Std = 0.9900, ChiSquare = 5.5122e-04