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


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



1.F2	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.547(D)	 	HA :: 4.573(D)	 	HB2 :: 3.027(D)	 	HB3 :: 2.993(D)	 	HD1 :: 7.199(D)	 	HD2 :: 7.199(D)	
			 	HE1 :: 7.230(D)	 	HE2 :: 7.230(D)	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)



1.P3	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	HA :: 3.793(D)	 	HB2 :: 1.535(D)	 	HB3 :: 1.535(D)	 	HG2 :: 1.744(D)	 	HG3 :: 1.744(D)	 	HD2 :: 2.935(D)	
			 	HD3 :: 3.634(D)	
	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.R4	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.413(D)	 	HA :: 3.914(D)	 	HB2 :: 1.910(D)	 	HB3 :: 1.910(D)	 	HG2 :: 1.618(D)	 	HG3 :: 1.740(D)	
			 	HD2 :: 3.264(D)	 	HD3 :: 3.264(D)	 	HE :: 7.770(D)	
	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.I5	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.109(D)	 	HA :: 3.890(D)	 	HB :: 1.944(D)	 	HG12 :: 1.565(D)	 	HG13 :: 1.565(D)	 	HG21 :: 0.851(D)	
			 	HG22 :: 0.851(D)	 	HG23 :: 0.851(D)	 	HD11 :: 0.919(D)	 	HD12 :: 0.919(D)	 	HD13 :: 0.919(D)	
	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.W6	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.083(D)	 	HA :: 4.375(D)	 	HB2 :: 3.307(D)	 	HB3 :: 3.307(D)	 	HD1 :: 7.318(D)	 	HE1 :: 10.678(D)	
			 	HE3 :: 7.358(D)	 	HZ2 :: 7.451(D)	 	HZ3 :: 6.863(D)	 	HH2 :: 7.033(D)	
	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.L7	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.049(D)	 	HA :: 3.924(D)	 	HB2 :: 1.842(D)	 	HB3 :: 1.842(D)	 	HG :: 1.565(D)	 	HD11 :: 0.915(D)	
			 	HD12 :: 0.915(D)	 	HD13 :: 0.915(D)	 	HD21 :: 0.915(D)	 	HD22 :: 0.915(D)	 	HD23 :: 0.915(D)	
	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.H8	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.300(D)	 	HA :: 4.142(D)	 	HB2 :: 3.269(D)	 	HB3 :: 3.346(D)	 	HD2 :: 7.035(D)	 	HE1 :: 8.052(D)	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)



1.N9	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.536(D)	 	HA :: 4.395(D)	 	HB2 :: 2.735(D)	 	HB3 :: 2.909(D)	 	HD21 :: 6.873(D)	 	HD22 :: 7.649(D)	
	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.L10	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.238(D)	 	HA :: 4.072(D)	 	HB2 :: 1.727(D)	 	HB3 :: 1.727(D)	 	HG :: 1.296(D)	 	HD11 :: 0.805(D)	
			 	HD12 :: 0.805(D)	 	HD13 :: 0.805(D)	 	HD21 :: 0.805(D)	 	HD22 :: 0.805(D)	 	HD23 :: 0.805(D)	
	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.G11	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.609(D)	 	HA2 :: 3.653(D)	 	HA3 :: 3.653(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.Q12	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.396(D)	 	HA :: 3.967(D)	 	HB2 :: 2.310(D)	 	HB3 :: 2.310(D)	 	HG2 :: 2.077(D)	 	HG3 :: 2.077(D)	
			 	HE21 :: 7.003(D)	 	HE22 :: 7.698(D)	
	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.H13	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.074(D)	 	HA :: 4.475(D)	 	HB2 :: 3.259(D)	 	HB3 :: 3.371(D)	 	HD2 :: 6.772(D)	 	HE1 :: 8.005(D)	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)



1.I14	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.592(D)	 	HA :: 3.647(D)	 	HB :: 2.079(D)	 	HG12 :: 1.298(D)	 	HG13 :: 1.220(D)	 	HG21 :: 0.968(D)	
			 	HG22 :: 0.968(D)	 	HG23 :: 0.968(D)	 	HD11 :: 0.861(D)	 	HD12 :: 0.861(D)	 	HD13 :: 0.861(D)	
	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.Y15	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.594(D)	 	HA :: 4.021(D)	 	HB2 :: 3.045(D)	 	HB3 :: 3.162(D)	 	HD1 :: 7.004(D)	 	HD2 :: 7.004(D)	
			 	HE1 :: 6.825(D)	 	HE2 :: 6.825(D)	
	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.E16	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.516(D)	 	HA :: 3.858(D)	 	HB2 :: 1.995(D)	 	HB3 :: 2.116(D)	 	HG2 :: 2.329(D)	 	HG3 :: 2.504(D)	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)



1.T17	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.789(D)	 	HA :: 3.805(D)	 	HB :: 3.698(D)	 	HG21 :: 0.626(D)	 	HG22 :: 0.626(D)	 	HG23 :: 0.626(D)	
	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.Y18	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.041(D)	 	HA :: 3.669(D)	 	HB2 :: 2.679(D)	 	HB3 :: 3.121(D)	 	HD1 :: 7.088(D)	 	HD2 :: 7.088(D)	
			 	HE1 :: 6.709(D)	 	HE2 :: 6.709(D)	
	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.G19	Overall: Clerical 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Duplicate 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.725(D)	 	HA2 :: 3.523(D)	 	HA3 :: 3.795(D)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.NH220 Overall Status: Residue type NH2 not supported.





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

Overall Results:

	      #Consistent:   0      #Clerical:  18      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:   0      #Suspicious:   0      #Mistyped:   0      #Indeterminable:  18


Shift Relative Order (SRO) Results:

	      #Consistent:  18      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent:   0      #Duplicate: 138      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.F2	H = 8.547(D),	 Expected =  8.36, Std = 0.7200, ChiSquare = 7.9508e-01
1.F2	HA = 4.573(D),	 Expected =  4.63, Std = 0.5700, ChiSquare = 9.2034e-01
1.F2	HB2 = 3.027(D),	 Expected =  3.00, Std = 0.3700, ChiSquare = 9.4183e-01
1.F2	HB3 = 2.993(D),	 Expected =  2.93, Std = 0.4000, ChiSquare = 8.7485e-01
1.F2	HD1 = 7.199(D),	 Expected =  7.06, Std = 0.3100, ChiSquare = 6.5387e-01
1.F2	HD2 = 7.199(D),	 Expected =  7.06, Std = 0.3100, ChiSquare = 6.5387e-01
1.F2	HE1 = 7.230(D),	 Expected =  7.08, Std = 0.3100, ChiSquare = 6.2848e-01
1.F2	HE2 = 7.230(D),	 Expected =  7.08, Std = 0.3200, ChiSquare = 6.3925e-01
1.P3	HA = 3.793(D),	 Expected =  4.40, Std = 0.3300, ChiSquare = 6.5857e-02
1.P3	HB2 = 1.535(D),	 Expected =  2.08, Std = 0.3500, ChiSquare = 1.1944e-01
1.P3	HB3 = 1.535(D),	 Expected =  2.00, Std = 0.3600, ChiSquare = 1.9647e-01
1.P3	HG2 = 1.744(D),	 Expected =  1.93, Std = 0.3100, ChiSquare = 5.4851e-01
1.P3	HG3 = 1.744(D),	 Expected =  1.90, Std = 0.3300, ChiSquare = 6.3641e-01
1.P3	HD2 = 2.935(D),	 Expected =  3.65, Std = 0.3500, ChiSquare = 4.1067e-02
1.P3	HD3 = 3.634(D),	 Expected =  3.61, Std = 0.3900, ChiSquare = 9.5093e-01
1.R4	H = 8.413(D),	 Expected =  8.24, Std = 0.6100, ChiSquare = 7.7671e-01
1.R4	HA = 3.914(D),	 Expected =  4.30, Std = 0.4600, ChiSquare = 4.0140e-01
1.R4	HB2 = 1.910(D),	 Expected =  1.79, Std = 0.2700, ChiSquare = 6.5672e-01
1.R4	HB3 = 1.910(D),	 Expected =  1.76, Std = 0.2800, ChiSquare = 5.9216e-01
1.R4	HG2 = 1.618(D),	 Expected =  1.57, Std = 0.2700, ChiSquare = 8.5890e-01
1.R4	HG3 = 1.740(D),	 Expected =  1.54, Std = 0.2900, ChiSquare = 4.9041e-01
1.R4	HD2 = 3.264(D),	 Expected =  3.12, Std = 0.2400, ChiSquare = 5.4851e-01
1.R4	HD3 = 3.264(D),	 Expected =  3.10, Std = 0.2600, ChiSquare = 5.2819e-01
1.R4	HE = 7.770(D),	 Expected =  7.40, Std = 0.6300, ChiSquare = 5.5700e-01
1.I5	H = 8.109(D),	 Expected =  8.28, Std = 0.6800, ChiSquare = 8.0145e-01
1.I5	HA = 3.890(D),	 Expected =  4.18, Std = 0.5600, ChiSquare = 6.0456e-01
1.I5	HB = 1.944(D),	 Expected =  1.78, Std = 0.2900, ChiSquare = 5.7172e-01
1.I5	HG12 = 1.565(D),	 Expected =  1.28, Std = 0.4000, ChiSquare = 4.7616e-01
1.I5	HG13 = 1.565(D),	 Expected =  1.19, Std = 0.4100, ChiSquare = 3.6038e-01
1.I5	HG21 = 0.851(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 7.6418e-01
1.I5	HG22 = 0.851(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 7.6418e-01
1.I5	HG23 = 0.851(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 7.6418e-01
1.I5	HD11 = 0.919(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 4.0986e-01
1.I5	HD12 = 0.919(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 4.0986e-01
1.I5	HD13 = 0.919(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 4.0986e-01
1.W6	H = 8.083(D),	 Expected =  8.29, Std = 0.7900, ChiSquare = 7.9330e-01
1.W6	HA = 4.375(D),	 Expected =  4.68, Std = 0.5300, ChiSquare = 5.6497e-01
1.W6	HB2 = 3.307(D),	 Expected =  3.19, Std = 0.3500, ChiSquare = 7.3816e-01
1.W6	HB3 = 3.307(D),	 Expected =  3.12, Std = 0.3600, ChiSquare = 6.0345e-01
1.W6	HD1 = 7.318(D),	 Expected =  7.14, Std = 0.3600, ChiSquare = 6.2099e-01
1.W6	HE1 = 10.678(D),	 Expected = 10.08, Std = 0.6600, ChiSquare = 3.6490e-01
1.W6	HE3 = 7.358(D),	 Expected =  7.31, Std = 0.4100, ChiSquare = 9.0680e-01
1.W6	HZ2 = 7.451(D),	 Expected =  7.28, Std = 0.3300, ChiSquare = 6.0433e-01
1.W6	HZ3 = 6.863(D),	 Expected =  6.86, Std = 0.4000, ChiSquare = 9.9402e-01
1.W6	HH2 = 7.033(D),	 Expected =  6.98, Std = 0.3900, ChiSquare = 8.9190e-01
1.L7	H = 8.049(D),	 Expected =  8.23, Std = 0.6500, ChiSquare = 7.8066e-01
1.L7	HA = 3.924(D),	 Expected =  4.32, Std = 0.4700, ChiSquare = 3.9948e-01
1.L7	HB2 = 1.842(D),	 Expected =  1.61, Std = 0.3400, ChiSquare = 4.9502e-01
1.L7	HB3 = 1.842(D),	 Expected =  1.52, Std = 0.3600, ChiSquare = 3.7108e-01
1.L7	HG = 1.565(D),	 Expected =  1.51, Std = 0.3300, ChiSquare = 8.6763e-01
1.L7	HD11 = 0.915(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 5.5567e-01
1.L7	HD12 = 0.915(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 5.5567e-01
1.L7	HD13 = 0.915(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 5.5567e-01
1.L7	HD21 = 0.915(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 5.2352e-01
1.L7	HD22 = 0.915(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 5.2352e-01
1.L7	HD23 = 0.915(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 5.2352e-01
1.H8	H = 8.300(D),	 Expected =  8.24, Std = 0.6800, ChiSquare = 9.2969e-01
1.H8	HA = 4.142(D),	 Expected =  4.61, Std = 0.4300, ChiSquare = 2.7643e-01
1.H8	HB2 = 3.269(D),	 Expected =  3.10, Std = 0.3600, ChiSquare = 6.3875e-01
1.H8	HB3 = 3.346(D),	 Expected =  3.04, Std = 0.3800, ChiSquare = 4.2067e-01
1.H8	HD2 = 7.035(D),	 Expected =  7.00, Std = 0.4300, ChiSquare = 9.3513e-01
1.H8	HE1 = 8.052(D),	 Expected =  7.95, Std = 0.4800, ChiSquare = 8.3172e-01
1.N9	H = 8.536(D),	 Expected =  8.34, Std = 0.6300, ChiSquare = 7.5572e-01
1.N9	HA = 4.395(D),	 Expected =  4.67, Std = 0.3600, ChiSquare = 4.4493e-01
1.N9	HB2 = 2.735(D),	 Expected =  2.81, Std = 0.3100, ChiSquare = 8.0883e-01
1.N9	HB3 = 2.909(D),	 Expected =  2.75, Std = 0.3300, ChiSquare = 6.2993e-01
1.N9	HD21 = 6.873(D),	 Expected =  7.35, Std = 0.4800, ChiSquare = 3.2034e-01
1.N9	HD22 = 7.649(D),	 Expected =  7.14, Std = 0.4900, ChiSquare = 2.9891e-01
1.L10	H = 8.238(D),	 Expected =  8.23, Std = 0.6500, ChiSquare = 9.9018e-01
1.L10	HA = 4.072(D),	 Expected =  4.32, Std = 0.4700, ChiSquare = 5.9774e-01
1.L10	HB2 = 1.727(D),	 Expected =  1.61, Std = 0.3400, ChiSquare = 7.3076e-01
1.L10	HB3 = 1.727(D),	 Expected =  1.52, Std = 0.3600, ChiSquare = 5.6529e-01
1.L10	HG = 1.296(D),	 Expected =  1.51, Std = 0.3300, ChiSquare = 5.1667e-01
1.L10	HD11 = 0.805(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 8.4427e-01
1.L10	HD12 = 0.805(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 8.4427e-01
1.L10	HD13 = 0.805(D),	 Expected =  0.75, Std = 0.2800, ChiSquare = 8.4427e-01
1.L10	HD21 = 0.805(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 7.9593e-01
1.L10	HD22 = 0.805(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 7.9593e-01
1.L10	HD23 = 0.805(D),	 Expected =  0.73, Std = 0.2900, ChiSquare = 7.9593e-01
1.G11	H = 8.609(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 6.6776e-01
1.G11	HA2 = 3.653(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 3.9158e-01
1.G11	HA3 = 3.653(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 5.0441e-01
1.Q12	H = 8.396(D),	 Expected =  8.22, Std = 0.5900, ChiSquare = 7.6547e-01
1.Q12	HA = 3.967(D),	 Expected =  4.27, Std = 0.4400, ChiSquare = 4.9105e-01
1.Q12	HB2 = 2.310(D),	 Expected =  2.05, Std = 0.2500, ChiSquare = 2.9834e-01
1.Q12	HB3 = 2.310(D),	 Expected =  2.02, Std = 0.2800, ChiSquare = 3.0034e-01
1.Q12	HG2 = 2.077(D),	 Expected =  2.32, Std = 0.2700, ChiSquare = 3.6812e-01
1.Q12	HG3 = 2.077(D),	 Expected =  2.29, Std = 0.2900, ChiSquare = 4.6265e-01
1.Q12	HE21 = 7.003(D),	 Expected =  7.24, Std = 0.4500, ChiSquare = 5.9842e-01
1.Q12	HE22 = 7.698(D),	 Expected =  7.02, Std = 0.4400, ChiSquare = 1.2334e-01
1.H13	H = 8.074(D),	 Expected =  8.24, Std = 0.6800, ChiSquare = 8.0714e-01
1.H13	HA = 4.475(D),	 Expected =  4.61, Std = 0.4300, ChiSquare = 7.5356e-01
1.H13	HB2 = 3.259(D),	 Expected =  3.10, Std = 0.3600, ChiSquare = 6.5873e-01
1.H13	HB3 = 3.371(D),	 Expected =  3.04, Std = 0.3800, ChiSquare = 3.8373e-01
1.H13	HD2 = 6.772(D),	 Expected =  7.00, Std = 0.4300, ChiSquare = 5.9595e-01
1.H13	HE1 = 8.005(D),	 Expected =  7.95, Std = 0.4800, ChiSquare = 9.0878e-01
1.I14	H = 8.592(D),	 Expected =  8.28, Std = 0.6800, ChiSquare = 6.4636e-01
1.I14	HA = 3.647(D),	 Expected =  4.18, Std = 0.5600, ChiSquare = 3.4121e-01
1.I14	HB = 2.079(D),	 Expected =  1.78, Std = 0.2900, ChiSquare = 3.0252e-01
1.I14	HG12 = 1.298(D),	 Expected =  1.28, Std = 0.4000, ChiSquare = 9.6411e-01
1.I14	HG13 = 1.220(D),	 Expected =  1.19, Std = 0.4100, ChiSquare = 9.4167e-01
1.I14	HG21 = 0.968(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.6336e-01
1.I14	HG22 = 0.968(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.6336e-01
1.I14	HG23 = 0.968(D),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.6336e-01
1.I14	HD11 = 0.861(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 5.3254e-01
1.I14	HD12 = 0.861(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 5.3254e-01
1.I14	HD13 = 0.861(D),	 Expected =  0.68, Std = 0.2900, ChiSquare = 5.3254e-01
1.Y15	H = 8.594(D),	 Expected =  8.32, Std = 0.7300, ChiSquare = 7.0741e-01
1.Y15	HA = 4.021(D),	 Expected =  4.63, Std = 0.5600, ChiSquare = 2.7682e-01
1.Y15	HB2 = 3.045(D),	 Expected =  2.91, Std = 0.3700, ChiSquare = 7.1521e-01
1.Y15	HB3 = 3.162(D),	 Expected =  2.84, Std = 0.3900, ChiSquare = 4.0901e-01
1.Y15	HD1 = 7.004(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 8.0517e-01
1.Y15	HD2 = 7.004(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 8.0517e-01
1.Y15	HE1 = 6.825(D),	 Expected =  6.70, Std = 0.2300, ChiSquare = 5.8680e-01
1.Y15	HE2 = 6.825(D),	 Expected =  6.71, Std = 0.2300, ChiSquare = 6.1707e-01
1.E16	H = 8.516(D),	 Expected =  8.33, Std = 0.5900, ChiSquare = 7.5257e-01
1.E16	HA = 3.858(D),	 Expected =  4.25, Std = 0.4100, ChiSquare = 3.3902e-01
1.E16	HB2 = 1.995(D),	 Expected =  2.02, Std = 0.2100, ChiSquare = 9.0524e-01
1.E16	HB3 = 2.116(D),	 Expected =  1.99, Std = 0.2300, ChiSquare = 5.8381e-01
1.E16	HG2 = 2.329(D),	 Expected =  2.27, Std = 0.2100, ChiSquare = 7.7875e-01
1.E16	HG3 = 2.504(D),	 Expected =  2.25, Std = 0.2200, ChiSquare = 2.4828e-01
1.T17	H = 7.789(D),	 Expected =  8.24, Std = 0.6200, ChiSquare = 4.6697e-01
1.T17	HA = 3.805(D),	 Expected =  4.46, Std = 0.4800, ChiSquare = 1.7238e-01
1.T17	HB = 3.698(D),	 Expected =  4.17, Std = 0.3300, ChiSquare = 1.5263e-01
1.T17	HG21 = 0.626(D),	 Expected =  1.14, Std = 0.2300, ChiSquare = 2.5432e-02
1.T17	HG22 = 0.626(D),	 Expected =  1.14, Std = 0.2300, ChiSquare = 2.5432e-02
1.T17	HG23 = 0.626(D),	 Expected =  1.14, Std = 0.2300, ChiSquare = 2.5432e-02
1.Y18	H = 8.041(D),	 Expected =  8.32, Std = 0.7300, ChiSquare = 7.0232e-01
1.Y18	HA = 3.669(D),	 Expected =  4.63, Std = 0.5600, ChiSquare = 8.6149e-02
1.Y18	HB2 = 2.679(D),	 Expected =  2.91, Std = 0.3700, ChiSquare = 5.3241e-01
1.Y18	HB3 = 3.121(D),	 Expected =  2.84, Std = 0.3900, ChiSquare = 4.7121e-01
1.Y18	HD1 = 7.088(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 5.9842e-01
1.Y18	HD2 = 7.088(D),	 Expected =  6.93, Std = 0.3000, ChiSquare = 5.9842e-01
1.Y18	HE1 = 6.709(D),	 Expected =  6.70, Std = 0.2300, ChiSquare = 9.6879e-01
1.Y18	HE2 = 6.709(D),	 Expected =  6.71, Std = 0.2300, ChiSquare = 9.9653e-01
1.G19	H = 7.725(D),	 Expected =  8.33, Std = 0.6500, ChiSquare = 3.5197e-01
1.G19	HA2 = 3.523(D),	 Expected =  3.97, Std = 0.3700, ChiSquare = 2.2701e-01
1.G19	HA3 = 3.795(D),	 Expected =  3.90, Std = 0.3700, ChiSquare = 7.7658e-01