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


1.X1 Overall Status: Residue type X not supported.



1.P2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 62.89	 	CB :: 32.72	 	CG :: 27.11	 	CD :: 51.48	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.47	 	HB2 :: 2.31	 	HB3 :: 1.96	 	HG2 :: 2.00	 	HG3 :: 2.00	 	HD2 :: 3.65	
			 	HD3 :: 3.65	
	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.T3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 1   

	C Shift Assignments>> 	CA :: 61.57	 	CB :: 69.82	 	CG2 :: 21.52	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.31	 	HA :: 4.44	 	HB :: 4.28	 	HG21 :: 1.23	 	HG22 :: 1.23	 	HG23 :: 1.23	
	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)

	N Shift Assignments>> 	N :: 113.80	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.T4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 1   

	C Shift Assignments>> 	CA :: 61.53	 	CB :: 69.95	 	CG2 :: 21.58	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.14	 	HA :: 4.42	 	HB :: 4.22	 	HG21 :: 1.19	 	HG22 :: 1.19	 	HG23 :: 1.19	
	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)

	N Shift Assignments>> 	N :: 116.30	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.T5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 1   

	C Shift Assignments>> 	CA :: 59.79	 	CB :: 69.83	 	CG2 :: 21.58	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.22	 	HA :: 4.61	 	HB :: 4.14	 	HG21 :: 1.24	 	HG22 :: 1.24	 	HG23 :: 1.24	
	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)

	N Shift Assignments>> 	N :: 119.30	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 63.18	 	CB :: 32.16	 	CG :: 27.40	 	CD :: 51.16	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.40	 	HB2 :: 2.29	 	HB3 :: 1.88	 	HG2 :: 2.02	 	HG3 :: 2.00	 	HD2 :: 3.86	
			 	HD3 :: 3.71	
	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.L7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.99   

	HN Overlap>>	 1.K8 1.K8

	C Shift Assignments>> 	CA :: 55.25	 	CB :: 42.19	 	CG :: 27.03	 	CD1 :: 23.56	 	CD2 :: 24.83	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.31	 	HA :: 4.29	 	HB2 :: 1.65	 	HB3 :: 1.57	 	HG :: 1.65	 	HD11 :: 0.93	
			 	HD12 :: 0.93	 	HD13 :: 0.93	 	HD21 :: 0.88	 	HD22 :: 0.88	 	HD23 :: 0.88	
	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)

	N Shift Assignments>> 	N :: 122.70	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	K 0.99   

	HN Overlap>>	 1.L7 1.L7

	C Shift Assignments>> 	CA :: 55.86	 	CB :: 33.14	 	CG :: 24.75	 	CD :: 29.06	 	CE :: 42.17	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.25	 	HA :: 4.28	 	HB2 :: 1.83	 	HB3 :: 1.75	 	HG2 :: 1.45	 	HG3 :: 1.40	
			 	HD2 :: 1.67	 	HD3 :: 1.67	 	HE2 :: 2.99	 	HE3 :: 2.99	
	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)

	N Shift Assignments>> 	N :: 122.70	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.X9 Overall Status: Residue type X not supported.





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

Overall Results:

	      #Consistent:   7      #Clerical:   0      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   7      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:   7      #Suspicious:   0


C Shift Results:

	      #Consistent:  27      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:  53      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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