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


1.W1	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.10	 	HA :: 4.63	 	HB2 :: 3.27	 	HB3 :: 3.17	 	HD1 :: 7.28	 	HE1 :: 10.18	
			 	HE3 :: 7.63	 	HZ2 :: 7.45	 	HZ3 :: 7.07	 	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.N2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.36	 	HA :: 4.53	 	HB2 :: 2.54	 	HB3 :: 2.44	 	HD21 :: 7.41	 	HD22 :: 6.77	
	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)



1.DAS3 Overall Status: Residue type DAS not supported.



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


	H Shift Assignments>> 	H :: 8.18	 	HA :: 4.69	 	HB :: 5.51(S)	 	HG21 :: 1.17	 	HG22 :: 1.17	 	HG23 :: 1.17	
	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.G5	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.34	 	HA2 :: 4.02	 	HA3 :: 4.02	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.ORN6 Overall Status: Residue type ORN not supported.



1.D7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.39	 	HA :: 4.49	 	HB2 :: 2.58	 	HB3 :: 2.43	
	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.DAL8 Overall Status: Residue type DAL not supported.



1.D9	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.49	 	HA :: 4.63	 	HB2 :: 2.74	 	HB3 :: 2.67	
	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.G10	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.38	 	HA2 :: 4.01	 	HA3 :: 4.01	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.DSN11 Overall Status: Residue type DSN not supported.



1.MEG12 Overall Status: Residue type MEG not supported.



1.KYN13 Overall Status: Residue type KYN not supported.



2.DKA1 Overall Status: Residue type DKA not supported.





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

Overall Results:

	      #Consistent:   6      #Clerical:   0      #Suspicious:   1      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   0      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   7


Shift Relative Order (SRO) Results:

	      #Consistent:   7      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:  35      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.T4	HB = 5.51(S),	 Expected =  4.17, Std = 0.3300, ChiSquare = 4.8945e-05