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


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



1.C2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Y 0.35   D 0.21   C 0.17   L 0.17   N 0.06   

	C Shift Assignments>> 	CA :: 56.83	 	CB :: 40.01	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.43	 	HA :: 4.81	 	HB2 :: 3.15	 	HB3 :: 2.75	
	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.R3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.33   R 0.26   H 0.24   E 0.12   V 0.02   

	C Shift Assignments>> 	CA :: 55.54	 	CB :: 32.43	
	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 :: 8.66	 	HA :: 4.53	 	HB2 :: 1.75	 	HB3 :: 1.84	 	HG2 :: 1.63	 	HG3 :: 1.55	
			 	HD2 :: 3.16	 	HD3 :: 3.16	 	HE :: 7.20	
	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.V4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	V 0.67   C 0.28   R 0.01   H 0.01   

	C Shift Assignments>> 	CA :: 62.67	 	CB :: 32.54	
	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 :: 8.43	 	HA :: 4.31	 	HB :: 1.83	 	HG11 :: 0.73	 	HG12 :: 0.73	 	HG13 :: 0.73	
			 	HG21 :: 0.69	 	HG22 :: 0.69	 	HG23 :: 0.69	
	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)



1.V5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	V 0.49   C 0.43   E 0.03   Y 0.02   

	C Shift Assignments>> 	CA :: 61.84	 	CB :: 34.48	
	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 :: 8.78	 	HA :: 4.31	 	HB :: 2.03	 	HG11 :: 0.91	 	HG12 :: 0.91	 	HG13 :: 0.91	
			 	HG21 :: 0.88	 	HG22 :: 0.88	 	HG23 :: 0.88	
	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)



1.R6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	E 0.26   H 0.24   C 0.23   R 0.22   V 0.01   

	C Shift Assignments>> 	CA :: 57.43	 	CB :: 29.71	
	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 :: 8.90	 	HA :: 4.02	 	HB2 :: 1.89	 	HB3 :: 1.86	 	HG2 :: 1.63	 	HG3 :: 1.58	
			 	HD2 :: 3.17	 	HD3 :: 3.17	 	HE :: 7.26	
	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.G7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	G 0.89   L 0.06   C 0.03   

	C Shift Assignments>> 	CA :: 46.29	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.52	 	HA2 :: 4.09	 	HA3 :: 3.55	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.D8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	N 0.39   D 0.32   L 0.12   C 0.07   Y 0.07   

	C Shift Assignments>> 	CA :: 53.31	 	CB :: 39.86	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.09	 	HA :: 4.72	 	HB2 :: 2.81	 	HB3 :: 2.72	
	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.Y9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Y 0.55   C 0.29   D 0.05   L 0.05   N 0.01   E 0.01   

	C Shift Assignments>> 	CA :: 58.44	 	CB :: 39.20	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.09	 	HA :: 4.72	 	HB2 :: 2.81	 	HB3 :: 2.72	
	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.L10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	L 0.37   R 0.33   D 0.11   G 0.08   C 0.05   Y 0.03   

	C Shift Assignments>> 	CA :: 55.09	 	CB :: 43.55	
	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 :: 8.48	 	HA :: 4.50	 	HB2 :: 1.52	 	HB3 :: 1.52	 	HG :: 1.47	 	HD11 :: 0.78	
			 	HD12 :: 0.78	 	HD13 :: 0.78	
	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.D11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	D 0.38   N 0.24   L 0.19   Y 0.09   C 0.07   

	C Shift Assignments>> 	CA :: 53.92	 	CB :: 40.44	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.76	 	HA :: 4.66	 	HB2 :: 2.94	 	HB3 :: 2.66	
	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.C12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	L 0.37   R 0.27   D 0.14   G 0.12   C 0.05   Y 0.02   

	C Shift Assignments>> 	CA :: 54.11	 	CB :: 43.63	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.73	 	HA :: 4.80	 	HB2 :: 3.26	 	HB3 :: 2.93	
	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.NH213 Overall Status: Residue type NH2 not supported.





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

Overall Results:

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


Typing Results:

	      #Consistent:  11      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:  11      #Suspicious:   0


C Shift Results:

	      #Consistent:  21      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent:  67      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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