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


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



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


	H Shift Assignments>> 	H :: 7.86	 	HA :: 4.12	 	HB :: 1.65	 	HG12 :: 1.33	 	HG13 :: 1.33	 	HG21 :: 1.02	
			 	HG22 :: 1.02	 	HG23 :: 1.02	 	HD11 :: 0.75	 	HD12 :: 0.75	 	HD13 :: 0.75	
	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.W3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.13	 	HA :: 4.47	 	HB2 :: 2.99	 	HB3 :: 3.12	 	HD1 :: 7.14	 	HE3 :: 7.54	
			 	HZ2 :: 6.95	 	HZ3 :: 7.04	 	HH2 :: 7.31	
	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.G4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.14	 	HA2 :: 3.57	 	HA3 :: 3.77	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.BCX5 Overall Status: Residue type BCX not supported.



1.S6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.29	 	HA :: 3.97	 	HB2 :: 3.58	 	HB3 :: 3.64	 	HG :: 4.89	
	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.G7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.59	 	HA2 :: 3.46	 	HA3 :: 3.81	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.K8	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Unknown 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.55	 	HA :: 4.26	 	HB2 :: 1.59	 	HB3 :: 1.77	 	HG2 :: 1.36	 	HG3 :: 1.36	
			 	HD2 :: 1.21	 	HD3 :: 1.21	 	HE2 :: 2.79	 	HE3 :: 2.79	 	HZ1 :: 7.59(U)	 	HZ2 :: 7.59(U)	
			 	HZ3 :: 7.59(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.L9	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.08	 	HA :: 4.20	 	HB2 :: 1.62	 	HB3 :: 1.62	 	HG :: 1.53	 	HD11 :: 0.84	
			 	HD12 :: 0.84	 	HD13 :: 0.84	 	HD21 :: 0.90	 	HD22 :: 0.90	 	HD23 :: 0.90	
	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.I10	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.53	 	HA :: 4.15	 	HB :: 1.72	 	HG12 :: 1.42	 	HG13 :: 1.42	 	HG21 :: 1.09	
			 	HG22 :: 1.09	 	HG23 :: 1.09	 	HD11 :: 0.83	 	HD12 :: 0.83	 	HD13 :: 0.83	
	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.C11	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.33	 	HA :: 4.62	 	HB2 :: 2.95	 	HB3 :: 3.04	
	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.T12	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.74	 	HA :: 4.37	 	HB :: 4.00	 	HG1 :: 5.16	 	HG21 :: 1.03	 	HG22 :: 1.03	
			 	HG23 :: 1.03	
	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.T13	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.72	 	HA :: 4.03	 	HB :: 4.13	 	HG1 :: 4.82	 	HG21 :: 1.05	 	HG22 :: 1.05	
			 	HG23 :: 1.05	
	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.A14	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.99	 	HA :: 4.18	 	HB1 :: 1.26	 	HB2 :: 1.26	 	HB3 :: 1.26	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)





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

Overall Results:

	      #Consistent:  11      #Clerical:   1      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   0      #Suspicious:   0      #Mistyped:   0      #Indeterminable:  12


Shift Relative Order (SRO) Results:

	      #Consistent:  12      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:  86      #Duplicate:   0      #Unknown:   3      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.K8	HZ1 = 7.59(U)
1.K8	HZ2 = 7.59(U)
1.K8	HZ3 = 7.59(U)