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


1.28J5 Overall Status: Residue type 28J not supported.



1.ZAE1 Overall Status: Residue type ZAE not supported.



1.I2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	CA :: 60.740	 	CB :: 39.163	 	CG1 :: 26.977	 	CG2 :: 17.617	 	CD1 :: 13.590	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.635	 	HA :: 4.064	 	HB :: 1.454	 	HG12 :: 0.615	 	HG13 :: 0.904	 	HG21 :: 0.596	
			 	HG22 :: 0.596	 	HG23 :: 0.596	 	HD11 :: 0.642	 	HD12 :: 0.642	 	HD13 :: 0.642	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 131.153	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.S3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 58.404	 	CB :: 63.884	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.348	 	HA :: 4.405	 	HB2 :: 3.807	 	HB3 :: 3.807	
	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 :: 119.451	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.DGN4 Overall Status: Residue type DGN not supported.



1.I6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	CA :: 60.256	 	CB :: 39.216	 	CG1 :: 27.625	 	CG2 :: 18.590	 	CD1 :: 13.734	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.271	 	HA :: 4.468	 	HB :: 1.918	 	HG12 :: 1.208	 	HG13 :: 1.560	 	HG21 :: 0.971	
			 	HG22 :: 0.971	 	HG23 :: 0.971	 	HD11 :: 0.879	 	HD12 :: 0.879	 	HD13 :: 0.879	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.864	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.S7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	S 0.93   T 0.06   

	C Shift Assignments>> 	CA :: 59.092	 	CB :: 65.789	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	HA :: 4.652	 	HB2 :: 3.891	 	HB3 :: 4.094	
	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)



1.DTH8 Overall Status: Residue type DTH not supported.



1.A9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.9   I 0.09   

	C Shift Assignments>> 	CA :: 55.476	 	CB :: 18.666	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.958	 	HA :: 4.025	 	HB1 :: 1.405	 	HB2 :: 1.405	 	HB3 :: 1.405	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.415	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.XXX10 Overall Status: Residue type XXX not supported.



1.I11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	CA :: 60.757	 	CB :: 37.489	 	CG1 :: 28.036	 	CG2 :: 17.728	 	CD1 :: 12.352	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.423	 	HA :: 4.103	 	HB :: 1.899	 	HG12 :: 1.195	 	HG13 :: 1.528	 	HG21 :: 0.855	
			 	HG22 :: 0.855	 	HG23 :: 0.855	 	HD11 :: 0.874	 	HD12 :: 0.874	 	HD13 :: 0.874	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 116.793	
	Ave N Shift Values>> 	N :: 121.46(4.28)





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

Overall Results:

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


Typing Results:

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


Shift Relative Order (SRO) Results:

	      #Consistent:   6      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:  45      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:   5      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0