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


1.4J26 Overall Status: Residue type 4J2 not supported.



1.ACE1 Overall Status: Residue type ACE not supported.



1.NLE2 Overall Status: Residue type NLE not supported.



1.D3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.807	 	HA :: 5.506	 	HB2 :: 2.541	 	HB3 :: 2.933	
	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.W4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.928	 	HA :: 3.959	 	HB2 :: 3.063	 	HB3 :: 3.101	 	HD1 :: 6.975	 	HE1 :: 10.677	
			 	HE3 :: 6.253	 	HZ2 :: 7.420	 	HZ3 :: 6.661	 	HH2 :: 7.001	
	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.P5	Overall: Suspicious 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Suspicious 	N Shifts: Indeterminable


	H Shift Assignments>> 	HA :: 2.715(S)	 	HB2 :: 0.228(S)	 	HB3 :: 1.628	 	HG2 :: 1.175	 	HG3 :: 1.615	 	HD2 :: 3.050	
			 	HD3 :: 3.311	
	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.R7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.308	 	HA :: 4.726	 	HB2 :: 1.674	 	HB3 :: 1.876	 	HG2 :: 1.455	 	HG3 :: 1.534	
			 	HD2 :: 3.157	 	HD3 :: 3.157	 	HE :: 7.151	
	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.W8	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 9.085	 	HA :: 5.171	 	HB2 :: 3.148	 	HB3 :: 3.389	 	HD1 :: 7.299	 	HE1 :: 10.671	
			 	HE3 :: 7.697	 	HZ2 :: 7.498	 	HZ3 :: 6.962	 	HH2 :: 7.078	
	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.K9	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Unknown 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.689	 	HA :: 4.176	 	HB2 :: 1.531	 	HB3 :: 1.745	 	HG2 :: 1.199	 	HG3 :: 1.307	
			 	HD2 :: 1.448	 	HD3 :: 1.448	 	HE2 :: 3.059	 	HE3 :: 3.384	 	HZ1 :: 7.881(U)	 	HZ2 :: 7.881(U)	
			 	HZ3 :: 7.881(U)	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)



1.NH210 Overall Status: Residue type NH2 not supported.





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

Overall Results:

	      #Consistent:   4      #Clerical:   1      #Suspicious:   1      #Anomalous:   0      #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:  48      #Duplicate:   0      #Unknown:   3      #Suspicious:   2      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.P5	HA = 2.715(S),	 Expected =  4.40, Std = 0.3300, ChiSquare = 3.2894e-07
1.P5	HB2 = 0.228(S),	 Expected =  2.08, Std = 0.3500, ChiSquare = 1.2136e-07
1.K9	HZ1 = 7.881(U)
1.K9	HZ2 = 7.881(U)
1.K9	HZ3 = 7.881(U)