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


1.C1	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.41	 	HA :: 4.70	 	HB2 :: 2.86	 	HB3 :: 2.86	 	HG :: 4.8	
	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.Y2	Overall: Anomalous 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Anomalous 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.25	 	HA :: 4.86	 	HB2 :: 3.27	 	HB3 :: 3.00	 	HD1 :: 7.25	 	HD2 :: 7.25	
			 	HE1 :: 6.91	 	HE2 :: 6.91	 	HH :: 4.8(A)	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)



1.I3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.85	 	HA :: 4.22	 	HB :: 2.00	 	HG12 :: 1.09	 	HG13 :: 1.30	 	HG21 :: 0.94	
			 	HG22 :: 0.94	 	HG23 :: 0.94	 	HD11 :: 0.94	 	HD12 :: 0.94	 	HD13 :: 0.94	
	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.Q4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.22	 	HA :: 4.16	 	HB2 :: 2.11	 	HB3 :: 2.11	 	HG2 :: 2.44	 	HG3 :: 2.44	
			 	HE21 :: 7.60	 	HE22 :: 6.96	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)



1.N5	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.34	 	HA :: 4.74	 	HB2 :: 2.88	 	HB3 :: 2.88	 	HD21 :: 7.65	 	HD22 :: 6.96	
	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.C6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.92	 	HA :: 4.61	 	HB2 :: 3.15	 	HB3 :: 3.00	 	HG :: 4.8	
	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.P7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	HA :: 4.49	 	HB2 :: 1.98	 	HB3 :: 2.33	 	HG2 :: 2.08	 	HG3 :: 2.08	 	HD2 :: 3.77	
			 	HD3 :: 3.77	
	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.L8	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.51	 	HA :: 4.35	 	HB2 :: 1.72	 	HB3 :: 1.72	 	HG :: 1.67	 	HD11 :: 0.97	
			 	HD12 :: 0.97	 	HD13 :: 0.97	 	HD21 :: 0.93	 	HD22 :: 0.93	 	HD23 :: 0.93	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)



1.G9	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.43	 	HA2 :: 3.97	 	HA3 :: 3.92	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



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





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

Overall Results:

	      #Consistent:   8      #Clerical:   0      #Suspicious:   0      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   0      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   9


Shift Relative Order (SRO) Results:

	      #Consistent:   9      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:  64      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


N Shift Results:

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



Error Summary:

1.Y2	HH = 4.8(A),	 Expected =  9.30, Std = 1.3600, ChiSquare = 9.3689e-04