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


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

	PRTL>>	D 0.62   N 0.22   C 0.13   R 0.01   

	C Shift Assignments>> 	CA :: 54.766	 	CB :: 40.867	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	HA :: 4.332	 	HB2 :: 3.220	 	HB3 :: 3.267	
	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.R2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.54   C 0.45   

	C Shift Assignments>> 	CA :: 55.454	 	CB :: 31.537	 	CG :: 26.010	 	CD :: 43.264	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 8.877	 	HA :: 4.519	 	HB2 :: 1.339	 	HB3 :: 1.425	 	HG3 :: 0.993	 	HD2 :: 2.796	
			 	HD3 :: 2.882	 	HE :: 6.896	
	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)

	N Shift Assignments>> 	N :: 122.434	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.DTR3 Overall Status: Residue type DTR not supported.



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

	PRTL>>	T 0.76   C 0.23   

	C Shift Assignments>> 	CA :: 58.653	 	CB :: 69.530	 	CG2 :: 21.323	
	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 :: 7.221	 	HA :: 4.668	 	HB :: 4.399	 	HG21 :: 1.133	 	HG22 :: 1.133	 	HG23 :: 1.133	
	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 :: 113.624	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.84   C 0.15   

	C Shift Assignments>> 	CA :: 64.729	 	CB :: 32.033	 	CG :: 27.425	 	CD :: 51.056	
	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 :: 4.233	 	HB2 :: 2.383	 	HB3 :: 1.985	 	HG3 :: 2.064	 	HD2 :: 3.849	 	HD3 :: 3.716	
	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.V6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.62   C 0.37   

	C Shift Assignments>> 	CA :: 61.829	 	CB :: 32.677	 	CG1 :: 21.252	 	CG2 :: 20.189	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 7.447	 	HA :: 4.184	 	HB :: 2.074	 	HG11 :: 0.895	 	HG12 :: 0.895	 	HG13 :: 0.895	
			 	HG21 :: 0.889	 	HG22 :: 0.889	 	HG23 :: 0.889	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 114.598	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.C7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.52   N 0.26   C 0.21   

	C Shift Assignments>> 	CA :: 55.549	 	CB :: 40.036	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.271	 	HA :: 4.572	 	HB2 :: 2.965	 	HB3 :: 3.163	
	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)

	N Shift Assignments>> 	N :: 121.460	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.NH28 Overall Status: Residue type NH2 not supported.





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

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:  19      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:  36      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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