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


1.H2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.000	 	HA :: 4.988	 	HB2 :: 3.096	 	HB3 :: 3.167	 	HD2 :: 7.268	 	HE1 :: 8.663	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)



1.DPN3 Overall Status: Residue type DPN not supported.



1.R4	Overall: Suspicious 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Suspicious 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 6.760	 	HA :: 4.108	 	HB2 :: 0.770(S)	 	HB3 :: 1.270	 	HG2 :: 0.466(S)	 	HG3 :: 0.487(S)	
			 	HD2 :: 2.760	 	HD3 :: 2.760	 	HE :: 7.297	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)



1.W5	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.005	 	HA :: 4.707	 	HB2 :: 3.236	 	HB3 :: 3.416	 	HD1 :: 7.282	 	HE1 :: 10.704	
			 	HE3 :: 7.643	 	HZ2 :: 7.437	 	HZ3 :: 7.014	 	HH2 :: 7.075	
	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.D6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.965	 	HA :: 4.716	 	HB2 :: 2.783	 	HB3 :: 2.783	
	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)



1.NH27 Overall Status: Residue type NH2 not supported.



1.AC51 Overall Status: Residue type AC5 not supported.





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

Overall Results:

	      #Consistent:   3      #Clerical:   0      #Suspicious:   1      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

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


Shift Relative Order (SRO) Results:

	      #Consistent:   4      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:  26      #Duplicate:   0      #Unknown:   0      #Suspicious:   3      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.R4	HB2 = 0.770(S),	 Expected =  1.79, Std = 0.2700, ChiSquare = 1.5823e-04
1.R4	HG2 = 0.466(S),	 Expected =  1.57, Std = 0.2700, ChiSquare = 4.3344e-05
1.R4	HG3 = 0.487(S),	 Expected =  1.54, Std = 0.2900, ChiSquare = 2.8229e-04