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


1.G1	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.G4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S5	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




1.G7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	G 0.71   L 0.11   C 0.08   R 0.05   

	C Shift Assignments>> 	C :: 173.866	 	CA :: 45.110	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	HA2 :: 4.022	 	HA3 :: 3.964	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)



1.V8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.74   C 0.25   

	C Shift Assignments>> 	C :: 177.409	 	CA :: 62.398	 	CB :: 32.809	 	CG1 :: 21.536	 	CG2 :: 21.392	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 9.504	 	HA :: 4.184	 	HB :: 2.089	 	HG11 :: 0.883	 	HG12 :: 0.883	 	HG13 :: 0.883	
			 	HG21 :: 0.876	 	HG22 :: 0.876	 	HG23 :: 0.876	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 119.451	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.T9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.92   C 0.07   

	C Shift Assignments>> 	C :: 175.029	 	CA :: 62.929	 	CB :: 69.336	 	CG2 :: 22.619	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.272	 	HA :: 4.088	 	HB :: 3.863	 	HG21 :: 1.087	 	HG22 :: 1.087	 	HG23 :: 1.087	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 117.128	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.L10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.55   C 0.24   R 0.1   G 0.08   A 0.01   

	C Shift Assignments>> 	C :: 176.568	 	CA :: 54.905	 	CB :: 43.299	 	CG :: 27.082	 	CD1 :: 25.420	 	CD2 :: 23.815	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.689	 	HA :: 4.374	 	HB2 :: 1.602	 	HB3 :: 1.400	 	HG :: 1.730	 	HD11 :: 0.846	
			 	HD12 :: 0.846	 	HD13 :: 0.846	 	HD21 :: 0.832	 	HD22 :: 0.832	 	HD23 :: 0.832	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 126.747	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.S11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.533	 	CA :: 57.914	 	CB :: 63.393	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.781	 	HA :: 4.998	 	HB2 :: 3.783	 	HB3 :: 3.783	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 120.280	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.L12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.4   G 0.21   C 0.19   R 0.09   A 0.08   

	C Shift Assignments>> 	C :: 175.959	 	CA :: 53.076	 	CB :: 43.796	 	CG :: 27.013	 	CD1 :: 26.845	 	CD2 :: 22.740	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.663	 	HA :: 5.286	 	HB2 :: 1.813	 	HB3 :: 1.341	 	HG :: 1.497	 	HD11 :: 0.336	
			 	HD12 :: 0.336	 	HD13 :: 0.336	 	HD21 :: 0.635	 	HD22 :: 0.635	 	HD23 :: 0.635	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 124.667	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.T13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.62   T 0.35   A 0.02   

	C Shift Assignments>> 	C :: 175.102	 	CA :: 59.079	 	CB :: 73.558	 	CG2 :: 21.413	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 9.278	 	HA :: 4.419	 	HB :: 4.515	 	HG21 :: 1.155	 	HG22 :: 1.155	 	HG23 :: 1.155	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 111.359	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.K14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   K 0.35   R 0.2   M 0.04   G 0.01   

	HN Overlap>>	 1.S119 1.S119

	C Shift Assignments>> 	C :: 177.006	 	CA :: 59.168	 	CB :: 31.807	 	CG :: 23.758	 	CD :: 29.444	 	CE :: 42.169	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.297	 	HA :: 4.080	 	HB2 :: 2.083	 	HB3 :: 2.026	 	HG2 :: 1.448	 	HG3 :: 1.604	
			 	HD2 :: 1.757	 	HE2 :: 3.053	 	HE3 :: 3.053	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 117.871	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.D15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.21   L 0.18   F 0.13   C 0.11   D 0.11   Y 0.1   R 0.08   I 0.01   N 0.01   

	C Shift Assignments>> 	C :: 176.463	 	CA :: 56.647	 	CB :: 41.594	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 7.981	 	HA :: 4.594	 	HB2 :: 2.701	 	HB3 :: 2.354	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 117.443	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.N16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.41   D 0.25   C 0.13   Y 0.06   F 0.06   L 0.05   

	C Shift Assignments>> 	C :: 176.172	 	CA :: 52.707	 	CB :: 39.460	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 7.603	 	HA :: 5.052	 	HB2 :: 3.231	 	HB3 :: 2.682	 	HD21 :: 7.567	 	HD22 :: 6.330	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 115.171	 	ND2 :: 106.671	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.F17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.72   C 0.27   

	C Shift Assignments>> 	C :: 175.997	 	CA :: 63.467	 	CB :: 40.335	 	CD1 :: 132.901	 	CD2 :: 132.901	 	CE1 :: 130.226	
			 	CE2 :: 130.226	 	CZ :: 130.270	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 8.439	 	HA :: 3.676	 	HB2 :: 3.111	 	HB3 :: 2.973	 	HD1 :: 6.906	 	HD2 :: 6.906	
			 	HE1 :: 6.814	 	HE2 :: 6.814	 	HZ :: 6.357	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 120.832	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.D18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.25   Y 0.22   C 0.16   K 0.08   L 0.08   I 0.07   D 0.06   R 0.01   N 0.01   

	C Shift Assignments>> 	C :: 177.539	 	CA :: 57.944	 	CB :: 40.424	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.527	 	HA :: 4.183	 	HB2 :: 2.548	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 116.854	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.D19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.21   Y 0.18   C 0.15   K 0.14   L 0.12   D 0.09   I 0.04   R 0.02   N 0.01   

	C Shift Assignments>> 	C :: 178.592	 	CA :: 57.422	 	CB :: 40.801	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.185	 	HA :: 4.150	 	HB2 :: 2.553	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 118.433	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.V20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.94   C 0.05   

	C Shift Assignments>> 	C :: 178.915	 	CA :: 65.682	 	CB :: 32.062	 	CG1 :: 20.744	 	CG2 :: 22.026	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 7.572	 	HA :: 3.594	 	HB :: 1.656	 	HG11 :: 0.508	 	HG12 :: 0.508	 	HG13 :: 0.508	
			 	HG21 :: 0.883	 	HG22 :: 0.883	 	HG23 :: 0.883	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 117.403	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.V21	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.94   C 0.05   

	C Shift Assignments>> 	C :: 178.902	 	CA :: 66.241	 	CB :: 30.823	 	CG1 :: 20.278	 	CG2 :: 20.915	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.479	 	HA :: 3.246	 	HB :: 1.282	 	HG11 :: -0.266(S)	 	HG12 :: -0.266(S)	 	HG13 :: -0.266(S)	
			 	HG21 :: -0.176(S)	 	HG22 :: -0.176(S)	 	HG23 :: -0.176(S)	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 116.514	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.N22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.28   E 0.18   Y 0.15   N 0.14   F 0.08   M 0.05   D 0.03   I 0.02   K 0.02   

	HN Overlap>>	 1.Q112 1.Q112

	C Shift Assignments>> 	C :: 176.465	 	CA :: 55.466	 	CB :: 37.119	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 8.596	 	HA :: 4.132	 	HB2 :: 2.926	 	HB3 :: 2.606	 	HD21 :: 7.442	 	HD22 :: 6.860	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 117.335	 	ND2 :: 108.834	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.N23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   N 0.2   L 0.13   C 0.12   F 0.07   Y 0.07   K 0.05   

	C Shift Assignments>> 	C :: 174.372	 	CA :: 53.563	 	CB :: 40.493	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 6.714	 	HA :: 4.678	 	HB2 :: 2.803	 	HB3 :: 2.557	 	HD21 :: 8.276	 	HD22 :: 7.075	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 112.349	 	ND2 :: 116.825	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.A24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.82   M 0.15   C 0.01   

	C Shift Assignments>> 	C :: 177.207	 	CA :: 51.557	 	CB :: 18.445	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.096	 	HA :: 4.415	 	HB1 :: 1.125	 	HB2 :: 1.125	 	HB3 :: 1.125	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.881	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.D25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.25   Y 0.2   C 0.16   K 0.12   I 0.08   L 0.08   D 0.04   R 0.02   

	C Shift Assignments>> 	C :: 177.026	 	CA :: 58.534	 	CB :: 40.802	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.931	 	HA :: 4.262	 	HB2 :: 2.658	 	HB3 :: 2.658	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 127.049	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.I26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.52   C 0.47   

	C Shift Assignments>> 	C :: 172.171	 	CA :: 60.418	 	CB :: 39.785	 	CG1 :: 29.709	 	CG2 :: 15.191	 	CD1 :: 14.644	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 7.770	 	HA :: 5.265	 	HB :: 1.974	 	HG12 :: 1.449	 	HG13 :: 0.742	 	HG21 :: 0.818	
			 	HG22 :: 0.818	 	HG23 :: 0.818	 	HD11 :: 0.688	 	HD12 :: 0.688	 	HD13 :: 0.688	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 112.613	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.I27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.58   C 0.41   

	C Shift Assignments>> 	C :: 171.584	 	CA :: 59.610	 	CB :: 41.456	 	CG1 :: 27.293	 	CG2 :: 17.025	 	CD1 :: 14.892	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.585	 	HA :: 4.701	 	HB :: 1.600	 	HG12 :: 1.605	 	HG13 :: 0.581	 	HG21 :: 0.840	
			 	HG22 :: 0.840	 	HG23 :: 0.840	 	HD11 :: 0.405	 	HD12 :: 0.405	 	HD13 :: 0.405	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 124.363	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.L28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.56   G 0.2   C 0.18   R 0.03   A 0.01   

	C Shift Assignments>> 	C :: 173.469	 	CA :: 53.518	 	CB :: 43.790	 	CG :: 26.259	 	CD1 :: 24.045	 	CD2 :: 25.541	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.553	 	HA :: 5.107	 	HB2 :: 1.987	 	HB3 :: 1.293	 	HG :: 1.988	 	HD11 :: 0.766	
			 	HD12 :: 0.766	 	HD13 :: 0.766	 	HD21 :: 0.695	 	HD22 :: 0.695	 	HD23 :: 0.695	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 129.122	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.V29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.56   C 0.42   

	C Shift Assignments>> 	C :: 172.957	 	CA :: 61.192	 	CB :: 34.849	 	CG1 :: 22.379	 	CG2 :: 22.077	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 9.380	 	HA :: 4.252	 	HB :: 2.035	 	HG11 :: 0.242	 	HG12 :: 0.242	 	HG13 :: 0.242	
			 	HG21 :: 0.599	 	HG22 :: 0.599	 	HG23 :: 0.599	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 124.956	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.E30	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.29   K 0.26   M 0.17   R 0.16   Q 0.08   

	C Shift Assignments>> 	C :: 174.771	 	CA :: 53.770	 	CB :: 29.443	 	CG :: 31.671	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.135	 	HA :: 4.850	 	HB2 :: 1.949	 	HB3 :: 1.222(S)	 	HG2 :: 1.798	 	HG3 :: 1.682	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 127.094	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.F31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.37   F 0.36   C 0.25   

	C Shift Assignments>> 	C :: 175.280	 	CA :: 56.958	 	CB :: 40.289	 	CD1 :: 132.174	 	CD2 :: 132.174	 	CE1 :: 129.932	
			 	CE2 :: 129.932	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 9.982	 	HA :: 5.541	 	HB2 :: 3.419	 	HB3 :: 2.790	 	HD1 :: 7.134	 	HD2 :: 7.134	
			 	HE1 :: 6.906	 	HE2 :: 6.906	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 128.615	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.Y32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.5   C 0.37   G 0.11   

	C Shift Assignments>> 	C :: 170.654	 	CA :: 54.837	 	CB :: 43.002	 	CD1 :: 133.195	 	CD2 :: 133.195	 	CE1 :: 117.451	
			 	CE2 :: 117.451	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 9.054	 	HA :: 5.285	 	HB2 :: 2.775	 	HB3 :: 2.543	 	HD1 :: 6.535	 	HD2 :: 6.535	
			 	HE1 :: 6.446	 	HE2 :: 6.446	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 121.142	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.A33	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.69   A 0.26   C 0.01   M 0.01   

	C Shift Assignments>> 	C :: 176.888	 	CA :: 47.805	 	CB :: 19.701	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.228	 	HA :: 4.336	 	HB1 :: -0.576(S)	 	HB2 :: -0.576(S)	 	HB3 :: -0.576(S)	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 119.997	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.P34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.8   C 0.19   

	C Shift Assignments>> 	C :: 175.782	 	CA :: 64.592	 	CB :: 32.089	 	CG :: 27.634	 	CD :: 51.299	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.258	 	HB2 :: 2.366	 	HB3 :: 2.030	 	HG2 :: 2.092	 	HG3 :: 2.092	 	HD2 :: 3.476	
			 	HD3 :: 3.277	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.W35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.46   W 0.38   H 0.14   

	C Shift Assignments>> 	C :: 176.120	 	CA :: 53.786	 	CB :: 29.411	 	CD1 :: 128.460	 	CE3 :: 120.982	 	CZ2 :: 114.941	
			 	CZ3 :: 122.323	 	CH2 :: 125.574	
	Ave C Shift Values>> 	C :: 176.1(1.89) 	CA :: 57.71(2.65) 	CB :: 30.16(2.19) 	CG :: 110.37(1.55) 	CD1 :: 126.16(1.76) 	CD2 :: 127.4(1.33)
			 	CE2 :: 137.38(2.86) 	CE3 :: 120.38(1.5) 	CZ2 :: 114.19(1.09) 	CZ3 :: 121.57(1.76) 	CH2 :: 123.75(1.34)

	H Shift Assignments>> 	H :: 5.993	 	HA :: 4.582	 	HB2 :: 3.589	 	HB3 :: 3.206	 	HD1 :: 7.362	 	HE1 :: 10.312	
			 	HE3 :: 7.370	 	HZ2 :: 7.487	 	HZ3 :: 7.300	 	HH2 :: 7.412	
	Ave H Shift Values>> 	H :: 8.35(0.84) 	HA :: 4.74(0.55) 	HB2 :: 3.22(0.36) 	HB3 :: 3.18(0.36) 	HD1 :: 7.16(0.34) 	HE1 :: 10.13(0.53)
			 	HE3 :: 7.17(1.03) 	HZ2 :: 7.14(0.89) 	HZ3 :: 6.68(1.02) 	HH2 :: 6.82(0.94)

	N Shift Assignments>> 	N :: 109.749	 	NE1 :: 130.741	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)



1.C36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.16   C 0.15   I 0.13   E 0.11   R 0.09   H 0.07   V 0.06   Q 0.06   K 0.06   M 0.02   P 0.01   

	C Shift Assignments>> 	C :: 178.003	 	CA :: 60.127	 	CB :: 29.954	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 6.676	 	HA :: 4.394	 	HB2 :: 2.701	 	HB3 :: 2.294	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 126.535	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.G37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.57   C 0.26   P 0.06   A 0.04   L 0.02   N 0.01   

	C Shift Assignments>> 	C :: 177.142	 	CA :: 47.649	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 9.112	 	HA2 :: 4.030	 	HA3 :: 3.812	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 118.934	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.H38	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.39   C 0.33   H 0.27   

	C Shift Assignments>> 	C :: 180.552(A)	 	CA :: 59.316	 	CB :: 31.029	 	CD2 :: 119.959	 	CE1 :: 139.349	
	Ave C Shift Values>> 	C :: 175.19(2.14) 	CA :: 56.37(2.4) 	CB :: 29.95(2.15) 	CG :: 130.59(3.41) 	CD2 :: 119.84(3.3) 	CE1 :: 136.05(3.58)

	H Shift Assignments>> 	H :: 9.521	 	HA :: 4.583	 	HB2 :: 3.458	 	HB3 :: 3.067	 	HD2 :: 7.303	 	HE1 :: 7.829	
	Ave H Shift Values>> 	H :: 8.25(0.74) 	HA :: 4.62(0.51) 	HB2 :: 3.12(0.43) 	HB3 :: 3.11(0.45) 	HD1 :: 10.14(3.5) 	HD2 :: 7.08(0.5)
			 	HE1 :: 8.08(0.57) 	HE2 :: 10.43(3.11)

	N Shift Assignments>> 	N :: 127.559	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.C39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.49   P 0.28   V 0.09   C 0.08   W 0.03   

	C Shift Assignments>> 	C :: 178.461	 	CA :: 64.382	 	CB :: 28.772	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 9.788	 	HA :: 3.951	 	HB2 :: 3.534	 	HB3 :: 2.744	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 128.365	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.K40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.38   C 0.37   R 0.21   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 178.846	 	CA :: 60.097	 	CB :: 32.668	 	CG :: 25.559	 	CD :: 29.583	 	CE :: 42.128	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.769	 	HA :: 3.951	 	HB2 :: 1.866	 	HB3 :: 1.866	 	HG2 :: 1.587	 	HG3 :: 1.587	
			 	HD2 :: 1.677	 	HD3 :: 1.611	 	HE2 :: 2.941	 	HE3 :: 2.941	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 123.127	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.K41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.37   R 0.2   M 0.02   G 0.01   

	C Shift Assignments>> 	C :: 178.055	 	CA :: 58.856	 	CB :: 32.782	 	CG :: 25.224	 	CD :: 29.401	 	CE :: 42.169	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 7.482	 	HA :: 4.103	 	HB2 :: 1.971	 	HG2 :: 1.513	 	HG3 :: 1.602	 	HD2 :: 1.754	
			 	HD3 :: 1.754	 	HE2 :: 3.037	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 118.507	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.L42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.37   C 0.32   R 0.24   G 0.02   K 0.01   

	C Shift Assignments>> 	C :: 177.914	 	CA :: 56.203	 	CB :: 42.456	 	CG :: 27.506	 	CD1 :: 23.433	 	CD2 :: 26.758	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.407	 	HA :: 4.388	 	HB2 :: 1.736	 	HB3 :: 1.598	 	HG :: 1.481	 	HD11 :: 0.985	
			 	HD12 :: 0.985	 	HD13 :: 0.985	 	HD21 :: 0.727	 	HD22 :: 0.727	 	HD23 :: 0.727	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 117.308	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.8   I 0.14   A 0.02   C 0.02   

	C Shift Assignments>> 	C :: 176.117	 	CA :: 57.147	 	CB :: 15.559	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.559	 	HA :: 4.139	 	HB1 :: 1.396	 	HB2 :: 1.396	 	HB3 :: 1.396	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 119.999	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.P44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.82   C 0.17   

	C Shift Assignments>> 	C :: 180.327	 	CA :: 65.702	 	CB :: 31.012	 	CG :: 28.546	 	CD :: 50.117	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.444	 	HB2 :: 2.320	 	HB3 :: 1.957	 	HG2 :: 2.112	 	HG3 :: 2.112	 	HD2 :: 3.967	
			 	HD3 :: 3.704	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.E45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.32   C 0.31   K 0.11   Q 0.09   M 0.07   I 0.07   

	C Shift Assignments>> 	C :: 177.598	 	CA :: 58.142	 	CB :: 29.995	 	CG :: 35.699	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 6.899	 	HA :: 3.977	 	HB2 :: 2.273	 	HB3 :: 2.003	 	HG2 :: 2.711	 	HG3 :: 2.397	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 116.818	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Y46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.74   C 0.25   

	C Shift Assignments>> 	C :: 176.970	 	CA :: 62.511	 	CB :: 39.711	 	CD1 :: 131.949	 	CD2 :: 131.949	 	CE1 :: 117.920	
			 	CE2 :: 117.920	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.553	 	HA :: 3.626	 	HB2 :: 3.041	 	HB3 :: 2.569	 	HD1 :: 6.673	 	HD2 :: 6.673	
			 	HE1 :: 6.219	 	HE2 :: 6.219	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 122.032	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.E47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.3   E 0.28   K 0.15   Q 0.11   I 0.09   M 0.02   R 0.01   

	C Shift Assignments>> 	C :: 178.942	 	CA :: 58.608	 	CB :: 29.014	 	CG :: 35.422	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.018	 	HA :: 3.920	 	HB2 :: 2.104	 	HB3 :: 1.942	 	HG2 :: 2.198	 	HG3 :: 2.422	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 116.179	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.K48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.38   R 0.3   K 0.28   G 0.01   

	C Shift Assignments>> 	C :: 180.062	 	CA :: 59.987	 	CB :: 32.848	 	CG :: 26.322	 	CD :: 29.860	 	CE :: 42.241	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 7.642	 	HA :: 3.931	 	HB2 :: 1.805	 	HB3 :: 1.673	 	HG2 :: 1.736	 	HG3 :: 1.476	
			 	HD2 :: 1.570	 	HD3 :: 1.716	 	HE2 :: 2.855	 	HE3 :: 2.855	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 118.373	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.A49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.51   A 0.42   C 0.02   I 0.02   

	C Shift Assignments>> 	C :: 178.518	 	CA :: 54.790	 	CB :: 18.127	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.165	 	HA :: 3.639	 	HB1 :: 1.246	 	HB2 :: 1.246	 	HB3 :: 1.246	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.605	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.A50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.47   A 0.41   C 0.04   I 0.01   L 0.01   V 0.01   

	C Shift Assignments>> 	C :: 181.163	 	CA :: 55.045	 	CB :: 19.359	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.405	 	HA :: 3.772	 	HB1 :: 1.283	 	HB2 :: 1.283	 	HB3 :: 1.283	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 121.182	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.K51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.38   C 0.36   R 0.21   G 0.01   M 0.01   

	C Shift Assignments>> 	C :: 179.855	 	CA :: 59.852	 	CB :: 32.291	 	CG :: 25.511	 	CD :: 29.375	 	CE :: 42.280	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.103	 	HA :: 3.884	 	HB2 :: 1.949	 	HB3 :: 1.949	 	HG2 :: 1.409	 	HG3 :: 1.606	
			 	HD2 :: 1.687	 	HD3 :: 1.687	 	HE2 :: 2.955	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 118.748	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.E52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.31   E 0.3   K 0.12   I 0.11   Q 0.09   M 0.04   

	C Shift Assignments>> 	C :: 180.293	 	CA :: 59.287	 	CB :: 29.584	 	CG :: 35.449	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.577	 	HA :: 4.046	 	HB2 :: 2.033	 	HB3 :: 2.033	 	HG2 :: 2.351	 	HG3 :: 2.229	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 119.720	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.L53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.4   L 0.38   R 0.15   K 0.04   

	C Shift Assignments>> 	C :: 178.535	 	CA :: 57.402	 	CB :: 41.319	 	CG :: 27.667	 	CD1 :: 27.195	 	CD2 :: 23.487	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.676	 	HA :: 4.029	 	HB2 :: 1.968	 	HB3 :: 1.784	 	HG :: 1.780	 	HD11 :: 0.701	
			 	HD12 :: 0.701	 	HD13 :: 0.701	 	HD21 :: 1.035	 	HD22 :: 1.035	 	HD23 :: 1.035	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 119.563	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.S54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.S115 1.S115

	C Shift Assignments>> 	C :: 174.426	 	CA :: 60.485	 	CB :: 63.212	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.944	 	HA :: 4.299	 	HB2 :: 4.043	 	HB3 :: 4.043	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 115.054	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.K55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.4   C 0.36   R 0.17   M 0.04   G 0.01   

	C Shift Assignments>> 	C :: 177.038	 	CA :: 56.070	 	CB :: 32.861	 	CG :: 24.758	 	CD :: 29.302	 	CE :: 42.141	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 7.151	 	HA :: 4.375	 	HB2 :: 2.022	 	HB3 :: 1.801	 	HG2 :: 1.614	 	HG3 :: 1.456	
			 	HD2 :: 1.672	 	HD3 :: 1.658	 	HE2 :: 2.914	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 119.349	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.R56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.39   C 0.32   K 0.24   G 0.04   

	C Shift Assignments>> 	C :: 174.194	 	CA :: 55.355	 	CB :: 31.524	 	CG :: 27.880	 	CD :: 42.977	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 6.719	 	HA :: 4.160	 	HB2 :: 1.870	 	HB3 :: 1.776	 	HG2 :: 1.718	 	HG3 :: 1.632	
			 	HD2 :: 3.269	 	HD3 :: 2.958	 	HE :: 7.638	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.185	 	NE :: 82.742	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.S57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.95   P 0.02   C 0.02   

	C Shift Assignments>> 	C :: 172.712	 	CA :: 53.873	 	CB :: 64.187	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.229	 	HA :: 4.834	 	HB2 :: 3.781	 	HB3 :: 3.627	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 114.017	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.P58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.58   P 0.4   

	C Shift Assignments>> 	CA :: 62.086	 	CB :: 33.083	 	CG :: 24.801	 	CD :: 50.078	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 5.152	 	HB2 :: 2.425	 	HB3 :: 2.062	 	HG2 :: 1.996	 	HG3 :: 1.869	 	HD2 :: 3.619	
			 	HD3 :: 3.490	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.P59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.78   C 0.21   

	C Shift Assignments>> 	C :: 177.326	 	CA :: 62.900	 	CB :: 32.390	 	CG :: 27.330	 	CD :: 50.051	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.361	 	HB2 :: 2.356	 	HB3 :: 1.822	 	HG2 :: 2.161	 	HG3 :: 2.041	 	HD2 :: 3.814	
			 	HD3 :: 3.687	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.I60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.52   C 0.45   A 0.01   

	C Shift Assignments>> 	C :: 173.056	 	CA :: 58.035	 	CB :: 40.172	 	CG1 :: 27.526	 	CG2 :: 16.595	 	CD1 :: 13.867	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 7.056	 	HA :: 4.601	 	HB :: 1.673	 	HG12 :: 1.649	 	HG13 :: 0.923	 	HG21 :: 0.702	
			 	HG22 :: 0.702	 	HG23 :: 0.702	 	HD11 :: 0.782	 	HD12 :: 0.782	 	HD13 :: 0.782	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 121.295	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.P61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.62   C 0.36   

	C Shift Assignments>> 	C :: 173.510	 	CA :: 62.339	 	CB :: 32.442	 	CG :: 26.159	 	CD :: 51.606	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.329	 	HB2 :: 2.185	 	HB3 :: 1.580	 	HG2 :: 2.100	 	HG3 :: 2.016	 	HD2 :: 3.714	
			 	HD3 :: 4.176	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.L62	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.53   C 0.33   R 0.09   L 0.02   

	C Shift Assignments>> 	C :: 176.269	 	CA :: 54.404	 	CB :: 45.196	 	CG :: 30.503	 	CD1 :: 24.301	 	CD2 :: 25.091	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.987	 	HA :: 4.819	 	HB2 :: 1.421	 	HB3 :: 1.065	 	HG :: 1.532	 	HD11 :: 0.612	
			 	HD12 :: 0.612	 	HD13 :: 0.612	 	HD21 :: -0.178(S)	 	HD22 :: -0.178(S)	 	HD23 :: -0.178(S)	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 122.968	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A63	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.78   C 0.09   L 0.06   G 0.01   K 0.01   R 0.01   

	C Shift Assignments>> 	C :: 176.977	 	CA :: 49.397	 	CB :: 25.348(S)	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.469	 	HA :: 5.628	 	HB1 :: 1.291	 	HB2 :: 1.291	 	HB3 :: 1.291	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 120.944	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.K64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.54   K 0.25   R 0.11   M 0.04   A 0.02   G 0.01   

	C Shift Assignments>> 	C :: 173.038	 	CA :: 54.861	 	CB :: 36.293	 	CG :: 23.627	 	CD :: 29.687	 	CE :: 42.141	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 9.472	 	HA :: 5.556	 	HB2 :: 1.898	 	HB3 :: 1.668	 	HG2 :: 1.443	 	HG3 :: 1.546	
			 	HD2 :: 1.323	 	HD3 :: 1.270	 	HE2 :: 2.686	 	HE3 :: 2.686	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 121.732	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.V65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.63   V 0.35   

	C Shift Assignments>> 	C :: 173.794	 	CA :: 60.424	 	CB :: 36.445	 	CG1 :: 21.427	 	CG2 :: 21.332	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 9.025	 	HA :: 4.292	 	HB :: 1.325	 	HG11 :: 0.701	 	HG12 :: 0.701	 	HG13 :: 0.701	
			 	HG21 :: 0.526	 	HG22 :: 0.526	 	HG23 :: 0.526	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 119.998	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.D66	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	N 0.54   C 0.17   D 0.14   Y 0.05   F 0.04   L 0.02   E 0.01   

	C Shift Assignments>> 	C :: 175.728	 	CA :: 52.265	 	CB :: 38.378	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.785	 	HA :: 3.185(S)	 	HB2 :: 2.806	 	HB3 :: 2.319	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 127.049	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.A67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.59   M 0.26   L 0.06   C 0.05   

	C Shift Assignments>> 	C :: 176.542	 	CA :: 53.369	 	CB :: 20.495	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.859	 	HA :: 3.899	 	HB1 :: 1.484	 	HB2 :: 1.484	 	HB3 :: 1.484	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 130.886	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.T68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.88   C 0.11   

	C Shift Assignments>> 	C :: 174.925	 	CA :: 63.036	 	CB :: 68.518	 	CG2 :: 23.217	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.494	 	HA :: 4.229	 	HB :: 4.330	 	HG21 :: 1.116	 	HG22 :: 1.116	 	HG23 :: 1.116	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 108.517	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.E69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.47   E 0.28   M 0.2   I 0.01   Q 0.01   

	C Shift Assignments>> 	C :: 177.798	 	CA :: 56.902	 	CB :: 32.553	 	CG :: 36.513	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 6.805	 	HA :: 4.461	 	HB2 :: 2.029	 	HB3 :: 1.912	 	HG2 :: 2.326	 	HG3 :: 2.163	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 121.732	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Q70	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Suspicious

	PRTL>>	C 0.39   K 0.29   P 0.1   R 0.09   Q 0.06   M 0.04   

	C Shift Assignments>> 	C :: 176.512	 	CA :: 52.292	 	CB :: 25.398	 	CG :: 33.039	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 8.639	 	HA :: 4.550	 	HB2 :: 2.214	 	HB3 :: 1.954	 	HG2 :: 2.682	 	HG3 :: 2.494	
			 	HE21 :: 8.639	 	HE22 :: 7.644	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 120.003	 	NE2 :: 119.937(S)	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.T71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.96   C 0.03   

	C Shift Assignments>> 	C :: 177.728	 	CA :: 65.144	 	CB :: 68.112	 	CG2 :: 22.417	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 7.515	 	HA :: 3.932	 	HB :: 4.198	 	HG21 :: 1.223	 	HG22 :: 1.223	 	HG23 :: 1.223	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 112.856	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.D72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.25   Y 0.23   C 0.17   L 0.08   D 0.08   I 0.06   K 0.06   N 0.01   

	C Shift Assignments>> 	C :: 179.243	 	CA :: 57.604	 	CB :: 40.195	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.266	 	HA :: 4.421	 	HB2 :: 2.599	 	HB3 :: 2.599	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 121.353	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.L73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.56   C 0.33   R 0.06   G 0.03   

	C Shift Assignments>> 	C :: 177.755	 	CA :: 57.605	 	CB :: 42.625	 	CG :: 26.778	 	CD1 :: 24.638	 	CD2 :: 22.813	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.668	 	HA :: 3.931	 	HB2 :: 1.913	 	HB3 :: 1.199	 	HG :: 1.633	 	HD11 :: 0.554	
			 	HD12 :: 0.554	 	HD13 :: 0.554	 	HD21 :: 0.360	 	HD22 :: 0.360	 	HD23 :: 0.360	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 120.534	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.54   A 0.36   I 0.03   C 0.03   

	C Shift Assignments>> 	C :: 179.408	 	CA :: 55.241	 	CB :: 18.385	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.892	 	HA :: 3.772	 	HB1 :: 1.578	 	HB2 :: 1.578	 	HB3 :: 1.578	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 119.284	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.K75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.4   C 0.37   R 0.19   M 0.02   

	C Shift Assignments>> 	C :: 180.066	 	CA :: 58.748	 	CB :: 32.360	 	CG :: 25.040	 	CD :: 29.155	 	CE :: 42.072	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 7.980	 	HA :: 4.103	 	HB2 :: 1.867	 	HB3 :: 1.867	 	HG2 :: 1.536	 	HG3 :: 1.424	
			 	HD2 :: 1.664	 	HD3 :: 1.664	 	HE2 :: 2.934	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 117.143	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.R76	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.41   R 0.28   G 0.25   K 0.02   

	C Shift Assignments>> 	C :: 177.019	 	CA :: 58.762	 	CB :: 30.561	 	CG :: 25.583	 	CD :: 44.369	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 7.779	 	HA :: 3.695	 	HB2 :: 1.604	 	HB3 :: 1.380	 	HG2 :: 0.449(S)	 	HG3 :: 1.411	
			 	HD2 :: 2.934	 	HD3 :: 2.600	 	HE :: 6.981	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 120.926	 	NE :: 83.656	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.F77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.53   C 0.46   

	C Shift Assignments>> 	C :: 173.165	 	CA :: 57.825	 	CB :: 38.464	 	CD1 :: 131.664	 	CD2 :: 131.664	 	CE1 :: 131.640	
			 	CE2 :: 131.640	 	CZ :: 130.129	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 6.852	 	HA :: 4.618	 	HB2 :: 3.201	 	HB3 :: 1.993	 	HD1 :: 7.347	 	HD2 :: 7.347	
			 	HE1 :: 7.153	 	HE2 :: 7.153	 	HZ :: 7.539	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 112.509	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.D78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.21   N 0.19   C 0.17   Y 0.15   F 0.14   L 0.07   I 0.01   E 0.01   K 0.01   

	C Shift Assignments>> 	C :: 174.892	 	CA :: 55.008	 	CB :: 39.384	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 7.737	 	HA :: 4.162	 	HB2 :: 2.907	 	HB3 :: 2.415	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 118.489	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.V79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.85   C 0.14   

	C Shift Assignments>> 	C :: 176.459	 	CA :: 63.811	 	CB :: 30.979	 	CG1 :: 21.541	 	CG2 :: 21.239	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 7.992	 	HA :: 3.712	 	HB :: 1.751	 	HG11 :: 0.752	 	HG12 :: 0.752	 	HG13 :: 0.752	
			 	HG21 :: 0.186	 	HG22 :: 0.186	 	HG23 :: 0.186	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 118.337	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 172.989	 	CA :: 57.510	 	CB :: 64.477	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.904	 	HA :: 4.443	 	HB2 :: 3.828	 	HB3 :: 3.613	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 123.860	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.31   L 0.27   G 0.19   C 0.09   D 0.03   F 0.03   Y 0.02   K 0.02   

	C Shift Assignments>> 	C :: 171.320	 	CA :: 43.858	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.251	 	HA2 :: 3.583	 	HA3 :: 3.489	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.126	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.Y82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.63   C 0.36   

	C Shift Assignments>> 	C :: 173.299	 	CA :: 53.843	 	CB :: 41.082	 	CD1 :: 133.187	 	CD2 :: 133.187	 	CE1 :: 117.565	
			 	CE2 :: 117.565	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.205	 	HA :: 5.050	 	HB2 :: 2.992	 	HB3 :: 2.840	 	HD1 :: 6.717	 	HD2 :: 6.717	
			 	HE1 :: 6.532	 	HE2 :: 6.532	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 117.495	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.P83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.64   P 0.34   

	C Shift Assignments>> 	C :: 177.679	 	CA :: 63.116	 	CB :: 34.197	 	CG :: 24.692	 	CD :: 49.707	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 5.142	 	HB2 :: 2.826	 	HB3 :: 1.690	 	HG2 :: 1.878	 	HG3 :: 1.847	 	HD2 :: 3.764	
			 	HD3 :: 3.397	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.T84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.94   C 0.05   

	C Shift Assignments>> 	C :: 172.734	 	CA :: 63.386	 	CB :: 71.856	 	CG2 :: 21.034	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.906	 	HA :: 4.752	 	HB :: 4.109	 	HG21 :: 1.277	 	HG22 :: 1.277	 	HG23 :: 1.277	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 117.347	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.L85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.33   G 0.32   R 0.26   L 0.07   

	C Shift Assignments>> 	C :: 175.102	 	CA :: 54.861	 	CB :: 44.554	 	CG :: 29.793	 	CD1 :: 25.344	 	CD2 :: 25.940	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 9.561	 	HA :: 5.575	 	HB2 :: 1.672	 	HB3 :: 1.137	 	HG :: 1.338	 	HD11 :: 0.708	
			 	HD12 :: 0.708	 	HD13 :: 0.708	 	HD21 :: 0.521	 	HD22 :: 0.521	 	HD23 :: 0.521	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 131.372	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.K86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   R 0.32   K 0.13   G 0.02   

	C Shift Assignments>> 	C :: 175.035	 	CA :: 54.279	 	CB :: 37.644	 	CG :: 25.420	 	CD :: 28.740	 	CE :: 42.213	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 9.224	 	HA :: 4.959	 	HB2 :: 1.646	 	HB3 :: 1.465	 	HG2 :: 1.226	 	HG3 :: 1.394	
			 	HD2 :: 1.738	 	HD3 :: 1.389	 	HE2 :: 2.908	 	HE3 :: 2.589	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 120.787	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.I87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.53   C 0.46   

	C Shift Assignments>> 	C :: 174.984	 	CA :: 60.186	 	CB :: 40.774	 	CG1 :: 30.125	 	CG2 :: 17.857	 	CD1 :: 14.596	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.754	 	HA :: 4.871	 	HB :: 1.639	 	HG12 :: 1.987	 	HG13 :: 1.052	 	HG21 :: 0.829	
			 	HG22 :: 0.829	 	HG23 :: 0.829	 	HD11 :: 1.165	 	HD12 :: 1.165	 	HD13 :: 1.165	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 123.413	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.F88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.62   C 0.31   G 0.05   

	C Shift Assignments>> 	C :: 176.015	 	CA :: 55.928	 	CB :: 42.734	 	CD1 :: 131.732	 	CD2 :: 131.732	 	CE1 :: 130.848	
			 	CE2 :: 130.848	 	CZ :: 128.236	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 9.219	 	HA :: 5.792	 	HB2 :: 2.906	 	HB3 :: 2.364	 	HD1 :: 6.761	 	HD2 :: 6.761	
			 	HE1 :: 7.062	 	HE2 :: 7.062	 	HZ :: 5.937	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 123.748	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.R89	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.37   C 0.34   K 0.22   G 0.06   

	C Shift Assignments>> 	C :: 176.266	 	CA :: 54.978	 	CB :: 32.244	 	CG :: 27.876	 	CD :: 43.245	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.778	 	HA :: 5.027	 	HB2 :: 1.916	 	HB3 :: 1.833	 	HG2 :: 1.625	 	HG3 :: 1.432	
			 	HD2 :: 3.042	 	HD3 :: 2.665	 	HE :: 7.478	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.044	 	NE :: 85.538	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.K90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.32   K 0.31   C 0.31   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 176.934	 	CA :: 56.543	 	CB :: 30.297	 	CG :: 24.893	 	CD :: 28.728	 	CE :: 42.317	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.895	 	HA :: 3.883	 	HB2 :: 2.055	 	HB3 :: 1.921	 	HG2 :: 1.413	 	HG3 :: 1.585	
			 	HD2 :: 1.623	 	HD3 :: 1.623	 	HE2 :: 3.006	 	HE3 :: 3.006	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 126.521	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.G91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.1   L 0.06   

	C Shift Assignments>> 	C :: 173.407	 	CA :: 46.086	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.464	 	HA2 :: 4.535	 	HA3 :: 3.405	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 103.508	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.R92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.45   C 0.31   G 0.17   K 0.04   

	C Shift Assignments>> 	C :: 174.455	 	CA :: 53.059	 	CB :: 31.040	 	CG :: 26.880	 	CD :: 43.609	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.231	 	HA :: 4.973	 	HB2 :: 2.051	 	HB3 :: 2.002	 	HG2 :: 1.728	 	HG3 :: 1.469	
			 	HD2 :: 3.255	 	HD3 :: 3.255	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 124.059	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.P93	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.69   C 0.3   

	C Shift Assignments>> 	C :: 176.448	 	CA :: 62.015	 	CB :: 32.029	 	CG :: 26.754	 	CD :: 50.999	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.250	 	HB2 :: 1.501	 	HB3 :: 1.331	 	HG2 :: 2.183	 	HG3 :: 2.122	 	HD2 :: 4.062	
			 	HD3 :: 3.800	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.F94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.53   C 0.42   G 0.03   

	C Shift Assignments>> 	C :: 175.051	 	CA :: 56.690	 	CB :: 42.363	 	CD1 :: 132.961	 	CD2 :: 132.961	 	CE1 :: 131.279	
			 	CE2 :: 131.279	 	CZ :: 129.342	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 9.245	 	HA :: 4.515	 	HB2 :: 3.125	 	HB3 :: 2.735	 	HD1 :: 7.381	 	HD2 :: 7.381	
			 	HE1 :: 7.316	 	HE2 :: 7.316	 	HZ :: 7.326	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 119.122	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.D95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.21   L 0.16   F 0.14   C 0.13   Y 0.12   K 0.1   N 0.07   R 0.01   I 0.01   

	C Shift Assignments>> 	C :: 175.534	 	CA :: 55.538	 	CB :: 40.654	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.801	 	HA :: 4.645	 	HB2 :: 2.636	 	HB3 :: 2.525	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 121.694	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.Y96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.55   C 0.44   

	C Shift Assignments>> 	C :: 174.394	 	CA :: 58.250	 	CB :: 40.092	 	CD1 :: 134.034	 	CD2 :: 134.034	 	CE1 :: 118.386	
			 	CE2 :: 118.386	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.082	 	HA :: 4.531	 	HB2 :: 3.015	 	HB3 :: 2.456	 	HD1 :: 7.028	 	HD2 :: 7.028	
			 	HE1 :: 6.525	 	HE2 :: 6.525	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 120.763	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.N97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.49   D 0.21   C 0.14   Y 0.04   F 0.04   L 0.03   

	C Shift Assignments>> 	CA :: 51.908	 	CB :: 39.195	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	HA :: 5.056	 	HB2 :: 2.956	 	HB3 :: 2.427	 	HD21 :: 7.505	 	HD22 :: 7.096	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	ND2 :: 113.450	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.G98	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	R 0.31   L 0.27   G 0.19   C 0.09   D 0.03   F 0.03   Y 0.02   K 0.02   

	C Shift Assignments>> 	CA :: 43.861	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 4.546(S)	 	HA2 :: 3.544	 	HA3 :: 1.804(S)	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)



1.P99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.61   C 0.38   

	C Shift Assignments>> 	C :: 176.625	 	CA :: 62.128	 	CB :: 33.767	 	CG :: 27.741	 	CD :: 49.694	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.650	 	HB2 :: 2.608	 	HB3 :: 1.807	 	HG2 :: 1.978	 	HG3 :: 1.798	 	HD2 :: 3.325	
			 	HD3 :: 2.919	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.R100	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.43   C 0.33   G 0.14   K 0.06   

	C Shift Assignments>> 	C :: 173.459	 	CA :: 54.978	 	CB :: 30.545	 	CG :: 27.940	 	CD :: 43.844	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.868	 	HA :: 4.449	 	HB2 :: 2.184	 	HB3 :: 1.630	 	HG2 :: 1.771	 	HG3 :: 1.432	
			 	HD2 :: 3.145	 	HD3 :: 3.145	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 117.016	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.E101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.35   M 0.27   E 0.26   Q 0.06   K 0.02   

	C Shift Assignments>> 	C :: 175.904	 	CA :: 54.905	 	CB :: 31.647	 	CG :: 35.688	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 6.760	 	HA :: 4.592	 	HB2 :: 2.126	 	HB3 :: 2.126	 	HG2 :: 2.380	 	HG3 :: 2.298	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 115.171	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.K102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.56   K 0.29   R 0.07   M 0.04   G 0.01   

	C Shift Assignments>> 	C :: 176.531	 	CA :: 61.306	 	CB :: 32.755	 	CG :: 23.264	 	CD :: 30.058	 	CE :: 41.838	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 9.589	 	HA :: 3.662	 	HB2 :: 1.858	 	HB3 :: 1.680	 	HG2 :: 0.916	 	HG3 :: 0.870	
			 	HD2 :: 1.325	 	HD3 :: 1.197	 	HE2 :: 2.455	 	HE3 :: 2.455	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 122.122	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.Y103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.58   C 0.4   

	C Shift Assignments>> 	C :: 178.276	 	CA :: 62.000	 	CB :: 36.775	 	CD1 :: 133.307	 	CD2 :: 133.307	 	CE1 :: 118.291	
			 	CE2 :: 118.291	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.481	 	HA :: 4.096	 	HB2 :: 3.147	 	HB3 :: 3.123	 	HD1 :: 7.327	 	HD2 :: 7.327	
			 	HE1 :: 6.875	 	HE2 :: 6.875	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 117.475	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.G104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.7   C 0.21   L 0.03   A 0.01   P 0.01   

	C Shift Assignments>> 	C :: 176.529	 	CA :: 47.280	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.313	 	HA2 :: 4.067	 	HA3 :: 3.792	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.581	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.I105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.95   C 0.04   

	C Shift Assignments>> 	C :: 177.903	 	CA :: 65.817	 	CB :: 38.621	 	CG1 :: 28.321	 	CG2 :: 17.146	 	CD1 :: 13.000	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.445	 	HA :: 3.807	 	HB :: 1.567	 	HG12 :: 1.511	 	HG13 :: 0.980	 	HG21 :: 0.606	
			 	HG22 :: 0.606	 	HG23 :: 0.606	 	HD11 :: 0.489	 	HD12 :: 0.489	 	HD13 :: 0.489	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 123.317	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.V106	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.95   C 0.04   

	C Shift Assignments>> 	C :: 177.224	 	CA :: 67.284	 	CB :: 31.840	 	CG1 :: 21.077	 	CG2 :: 23.662	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 7.726	 	HA :: 3.437	 	HB :: 2.273	 	HG11 :: 0.963	 	HG12 :: 0.963	 	HG13 :: 0.963	
			 	HG21 :: 1.053	 	HG22 :: 1.053	 	HG23 :: 1.053	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 118.162	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.D107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.23   Y 0.19   C 0.15   K 0.13   L 0.1   D 0.07   I 0.05   R 0.02   

	C Shift Assignments>> 	C :: 179.176	 	CA :: 57.825	 	CB :: 40.775	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 8.094	 	HA :: 4.349	 	HB2 :: 2.700	 	HB3 :: 2.700	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 117.463	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.Y108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.64   C 0.35   

	C Shift Assignments>> 	C :: 178.310	 	CA :: 61.603	 	CB :: 39.563	 	CD1 :: 133.767	 	CD2 :: 133.767	 	CE1 :: 118.602	
			 	CE2 :: 118.602	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.585	 	HA :: 4.267	 	HB2 :: 3.250	 	HB3 :: 3.131	 	HD1 :: 7.084	 	HD2 :: 7.084	
			 	HE1 :: 6.554	 	HE2 :: 6.554	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 121.086	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.M109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.65   M 0.29   A 0.05   

	C Shift Assignments>> 	C :: 179.680	 	CA :: 55.451	 	CB :: 28.570	 	CG :: 32.356	 	CE :: 15.092	
	Ave C Shift Values>> 	C :: 176.3(2.13) 	CA :: 56.16(2.34) 	CB :: 32.9(2.23) 	CG :: 32.07(1.45) 	CE :: 17.21(3.42)

	H Shift Assignments>> 	H :: 8.691	 	HA :: 4.651	 	HB2 :: 2.430	 	HB3 :: 1.821	 	HG2 :: 3.069	 	HG3 :: 2.465	
			 	HE1 :: 1.773	 	HE2 :: 1.773	 	HE3 :: 1.773	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.39(0.46) 	HB2 :: 2.03(0.38) 	HB3 :: 2.01(0.36) 	HG2 :: 2.44(0.36) 	HG3 :: 2.41(0.4)
			 	HE :: 1.86(0.47)

	N Shift Assignments>> 	N :: 116.145	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.I110	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.94   C 0.05   

	C Shift Assignments>> 	C :: 180.318	 	CA :: 66.241	 	CB :: 37.790	 	CG1 :: 29.693	 	CG2 :: 16.955	 	CD1 :: 14.529	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.480	 	HA :: 3.438	 	HB :: 1.917	 	HG12 :: 1.882	 	HG13 :: 0.687	 	HG21 :: 0.815	
			 	HG22 :: 0.815	 	HG23 :: 0.815	 	HD11 :: 0.833	 	HD12 :: 0.833	 	HD13 :: 0.833	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 121.616	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E111	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.33   E 0.29   I 0.23   K 0.08   Q 0.03   M 0.01   

	C Shift Assignments>> 	C :: 180.079	 	CA :: 59.831	 	CB :: 28.999	 	CG :: 36.082	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.987	 	HA :: 3.961	 	HB2 :: 2.094	 	HG2 :: 2.256	 	HG3 :: 2.056	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.844	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Q112	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.27   Q 0.25   K 0.24   R 0.09   E 0.08   M 0.02   I 0.01   

	HN Overlap>>	 1.N22 1.N22

	C Shift Assignments>> 	C :: 178.026	 	CA :: 57.228	 	CB :: 27.849	 	CG :: 33.815	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 8.544	 	HA :: 3.665	 	HB2 :: 1.883	 	HB3 :: 1.883	 	HG2 :: 1.723	 	HG3 :: 1.888	
			 	HE21 :: 6.849	 	HE22 :: 6.707	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 117.315	 	NE2 :: 115.996	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.S113	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.984	 	CA :: 60.418	 	CB :: 63.474	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.045	 	HA :: 4.169	 	HB2 :: 4.046	 	HB3 :: 4.006	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 114.676	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G114	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.79   C 0.08   L 0.08   R 0.02   

	C Shift Assignments>> 	C :: 174.112	 	CA :: 45.496	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.551	 	HA2 :: 4.131	 	HA3 :: 3.958	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.851	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.S115	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.S54 1.S54

	C Shift Assignments>> 	C :: 174.646	 	CA :: 58.217	 	CB :: 64.073	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.853	 	HA :: 4.501	 	HB2 :: 3.813	 	HB3 :: 3.813	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 115.106	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G116	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.56   L 0.17   R 0.11   C 0.09   F 0.01   D 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 171.860	 	CA :: 44.727	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.301	 	HA2 :: 4.092	 	HA3 :: 3.991	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.638	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.P117	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.81   C 0.18   

	C Shift Assignments>> 	C :: 177.369	 	CA :: 63.259	 	CB :: 32.198	 	CG :: 27.237	 	CD :: 49.773	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.422	 	HB2 :: 2.246	 	HB3 :: 1.963	 	HG2 :: 1.993	 	HG3 :: 1.993	 	HD2 :: 3.576	
			 	HD3 :: 3.549	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.S118	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.738	 	CA :: 58.401	 	CB :: 63.863	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.489	 	HA :: 4.469	 	HB2 :: 3.892	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 116.228	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.S119	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.K14 1.K14

	C Shift Assignments>> 	C :: 173.928	 	CA :: 58.416	 	CB :: 64.029	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.327	 	HA :: 4.489	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 117.924	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G120	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.11   L 0.05   

	C Shift Assignments>> 	C :: 179.037	 	CA :: 46.208	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.053	 	HA2 :: 3.766	 	HA3 :: 3.766	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 116.871	
	Ave N Shift Values>> 	N :: 109.91(4.29)





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

Overall Results:

	      #Consistent: 110      #Clerical:   0      #Suspicious:   9      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 114      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   6


Shift Relative Order (SRO) Results:

	      #Consistent: 120      #Suspicious:   0


C Shift Results:

	      #Consistent: 516      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   1


H Shift Results:

	      #Consistent: 774      #Duplicate:   0      #Unknown:   0      #Suspicious:  17      #Anomalous:   0


N Shift Results:

	      #Consistent: 111      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0



Error Summary:

1.V21	HG11 = -0.266(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 4.1981e-05
1.V21	HG12 = -0.266(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 4.1981e-05
1.V21	HG13 = -0.266(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 4.1981e-05
1.V21	HG21 = -0.176(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 5.2247e-04
1.V21	HG22 = -0.176(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 5.2247e-04
1.V21	HG23 = -0.176(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 5.2247e-04
1.E30	HB3 = 1.222(S),	 Expected =  2.04, Std = 0.2300, ChiSquare = 3.7580e-04
1.A33	HB1 = -0.576(S),	 Expected =  1.38, Std = 0.2500, ChiSquare = 5.1171e-15
1.A33	HB2 = -0.576(S),	 Expected =  1.38, Std = 0.2500, ChiSquare = 5.1171e-15
1.A33	HB3 = -0.576(S),	 Expected =  1.38, Std = 0.2500, ChiSquare = 5.1171e-15
1.H38	C = 180.552(A),	 Expected = 175.19, Std = 2.1400, ChiSquare = 1.2224e-02
1.L62	HD21 = -0.178(S),	 Expected =  0.76, Std = 0.2800, ChiSquare = 8.0812e-04
1.L62	HD22 = -0.178(S),	 Expected =  0.76, Std = 0.2800, ChiSquare = 8.0812e-04
1.L62	HD23 = -0.178(S),	 Expected =  0.76, Std = 0.2800, ChiSquare = 8.0812e-04
1.A63	CB = 25.348(S),	 Expected = 18.90, Std = 1.8500, ChiSquare = 4.9139e-04
1.D66	HA = 3.185(S),	 Expected =  4.61, Std = 0.3100, ChiSquare = 4.2908e-06
1.Q70	NE2 = 119.937(S),	 Expected = 111.81, Std = 2.2000, ChiSquare = 2.2067e-04
1.R76	HG2 = 0.449(S),	 Expected =  1.58, Std = 0.2700, ChiSquare = 2.8032e-05
1.G98	H = 4.546(S),	 Expected =  8.34, Std = 0.7400, ChiSquare = 2.9435e-07
1.G98	HA3 = 1.804(S),	 Expected =  3.93, Std = 0.4000, ChiSquare = 1.0666e-07