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: Indeterminable

	PRTL>>	I 0.99   

	C Shift Assignments>> 	CA :: 60.891	 	CB :: 38.458	 	CG1 :: 27.205	 	CG2 :: 17.591	 	CD1 :: 12.646	
	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>> 	HA :: 4.180	 	HB :: 1.891	 	HG12 :: 1.470	 	HG13 :: 1.198	 	HG21 :: 0.933	 	HG22 :: 0.933	
			 	HG23 :: 0.933	 	HD11 :: 0.859	 	HD12 :: 0.859	 	HD13 :: 0.859	
	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)



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 :: 58.234	 	CB :: 63.952	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.389	 	HA :: 4.435	 	HB2 :: 3.835	 	HB3 :: 3.835	
	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 :: 119.929	
	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 :: 60.975	 	CB :: 39.111	 	CG1 :: 27.464	 	CG2 :: 17.158	 	CD1 :: 12.649	
	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 :: 8.321	 	HA :: 4.190	 	HB :: 1.801	 	HG12 :: 1.155	 	HG13 :: 1.452	 	HG21 :: 0.889	
			 	HG22 :: 0.889	 	HG23 :: 0.889	 	HD11 :: 0.868	 	HD12 :: 0.868	 	HD13 :: 0.868	
	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 :: 123.485	
	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: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 59.297	 	CB :: 63.452	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.703	 	HA :: 4.475	 	HB2 :: 3.913	 	HB3 :: 3.958	
	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 :: 121.907	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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 0.91   I 0.08   

	C Shift Assignments>> 	CA :: 55.226	 	CB :: 18.334	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.088	 	HA :: 4.186	 	HB1 :: 1.462	 	HB2 :: 1.462	 	HB3 :: 1.462	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.266	
	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: Indeterminable

	PRTL>>	I 0.99   

	C Shift Assignments>> 	CA :: 61.402	 	CB :: 38.484	 	CG1 :: 26.989	 	CG2 :: 17.273	 	CD1 :: 12.818	
	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>> 	HA :: 3.938	 	HB :: 1.543	 	HG12 :: 0.924	 	HG13 :: 0.719	 	HG21 :: 0.662	 	HG22 :: 0.662	
			 	HG23 :: 0.662	 	HD11 :: 0.675	 	HD12 :: 0.675	 	HD13 :: 0.675	
	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)





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

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:  44      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:   4      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0