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


1.G1	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	HA2 :: 3.88	 	HA3 :: 3.88	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.C2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.51	 	HA :: 4.73	 	HB2 :: 2.57	 	HB3 :: 3.04	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)



1.HYP3 Overall Status: Residue type HYP not supported.



1.DTR4 Overall Status: Residue type DTR not supported.



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


	H Shift Assignments>> 	H :: 6.90	 	HA :: 4.67	 	HB2 :: 0.25(A)	 	HB3 :: 0.62(S)	 	HG2 :: 2.19	 	HG3 :: 2.31	
	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.P6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	HA :: 4.10	 	HB2 :: 2.08	 	HB3 :: 2.39	 	HG2 :: 2.10	 	HG3 :: 2.16	 	HD2 :: 3.41	
			 	HD3 :: 3.62	
	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.W7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 6.29	 	HA :: 4.75	 	HB2 :: 3.25	 	HB3 :: 3.56	 	HD1 :: 7.10	 	HE1 :: 10.35	
			 	HE3 :: 7.61	 	HZ2 :: 7.42	 	HZ3 :: 7.20	 	HH2 :: 7.17	
	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.C8	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.10	 	HA :: 4.26	 	HB2 :: 3.05	 	HB3 :: 3.11	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)



1.NH29 Overall Status: Residue type NH2 not supported.





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Overall Results:

	      #Consistent:   5      #Clerical:   0      #Suspicious:   0      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   0      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   6


Shift Relative Order (SRO) Results:

	      #Consistent:   6      #Suspicious:   0


C Shift Results:

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


H Shift Results:

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


N Shift Results:

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



Error Summary:

1.E5	HB2 = 0.25(A),	 Expected =  2.02, Std = 0.2100, ChiSquare = 3.4991e-17
1.E5	HB3 = 0.62(S),	 Expected =  1.99, Std = 0.2300, ChiSquare = 2.5766e-09