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


1.M1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	M 0.72   A 0.27   

	C Shift Assignments>> 	CA :: 54.950	 	CB :: 33.175	 	CG :: 31.186	 	CE :: 16.961	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	HA :: 4.002	 	HB2 :: 1.880	 	HB3 :: 1.838	 	HG2 :: 2.340	 	HG3 :: 2.273	 	HE1 :: 1.809	
			 	HE2 :: 1.809	 	HE3 :: 1.809	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)



1.K2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	K 0.89   R 0.08   G 0.01   

	C Shift Assignments>> 	C :: 177.740	 	CA :: 55.250	 	CB :: 34.029	 	CG :: 24.352	 	CD :: 29.037	 	CE :: 41.950	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	HA :: 4.445	 	HB2 :: 1.820	 	HB3 :: 1.704	 	HG2 :: 1.433	 	HG3 :: 1.433	 	HD2 :: 1.660	
			 	HD3 :: 1.660	 	HE2 :: 2.987	 	HE3 :: 2.987	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)



1.V3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 176.620	 	CA :: 65.646	 	CB :: 30.920	 	CG1 :: 21.198	 	CG2 :: 22.461	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.773	 	HA :: 3.448	 	HB :: 1.955	 	HG11 :: 0.910	 	HG12 :: 0.910	 	HG13 :: 0.910	
			 	HG21 :: 0.947	 	HG22 :: 0.947	 	HG23 :: 0.947	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 123.511	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	G 0.46   L 0.28   R 0.18   D 0.03   Y 0.02   

	C Shift Assignments>> 	C :: 174.640	 	CA :: 44.335	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 9.163	 	HA2 :: 3.590	 	HA3 :: 4.490	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 116.698	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 172.580	 	CA :: 60.273	 	CB :: 64.037	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.937	 	HA :: 4.389	 	HB2 :: 3.820	 	HB3 :: 3.709	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 116.600	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Q6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.42   K 0.3   M 0.12   E 0.11   R 0.02   

	C Shift Assignments>> 	C :: 176.190	 	CA :: 54.964	 	CB :: 29.686	 	CG :: 34.036	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 8.680	 	HA :: 5.225	 	HB2 :: 2.133	 	HB3 :: 2.069	 	HG2 :: 2.495	 	HG3 :: 2.428	
			 	HE21 :: 7.626	 	HE22 :: 6.832	
	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)

	N Shift Assignments>> 	N :: 122.347	 	NE2 :: 112.475	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.V7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.6   A 0.24   I 0.14   

	C Shift Assignments>> 	C :: 173.440	 	CA :: 58.693	 	CB :: 36.793	 	CG1 :: 22.466	 	CG2 :: 18.975	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.979	 	HA :: 5.008	 	HB :: 2.088	 	HG11 :: 0.628	 	HG12 :: 0.628	 	HG13 :: 0.628	
			 	HG21 :: 0.526	 	HG22 :: 0.526	 	HG23 :: 0.526	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 116.775	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.I8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.96   A 0.03   

	HN Overlap>>	 1.Y28 1.Y28

	C Shift Assignments>> 	C :: 176.190	 	CA :: 58.155	 	CB :: 39.314	 	CG1 :: 27.160	 	CG2 :: 17.115	 	CD1 :: 11.350	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.850	 	HA :: 4.899	 	HB :: 1.639	 	HG12 :: 1.320	 	HG13 :: 1.160	 	HG21 :: 0.659	
			 	HG22 :: 0.659	 	HG23 :: 0.659	 	HD11 :: 0.754	 	HD12 :: 0.754	 	HD13 :: 0.754	
	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)

	N Shift Assignments>> 	N :: 120.450	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.I9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	HN Overlap>>	 1.V24 1.V24

	C Shift Assignments>> 	C :: 175.680	 	CA :: 61.575	 	CB :: 36.504	 	CG1 :: 27.057	 	CG2 :: 19.332	 	CD1 :: 13.414	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.599	 	HA :: 4.104	 	HB :: 2.202	 	HG12 :: 0.755	 	HG13 :: 1.390	 	HG21 :: 0.811	
			 	HG22 :: 0.811	 	HG23 :: 0.811	 	HD11 :: 0.371	 	HD12 :: 0.371	 	HD13 :: 0.371	
	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)

	N Shift Assignments>> 	N :: 125.263	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.N10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.52   D 0.3   L 0.09   Y 0.06   

	C Shift Assignments>> 	C :: 174.820	 	CA :: 52.757	 	CB :: 39.611	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 9.047	 	HA :: 4.993	 	HB2 :: 2.528	 	HB3 :: 2.689	 	HD21 :: 7.302	 	HD22 :: 6.830	
	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)

	N Shift Assignments>> 	N :: 126.310	 	ND2 :: 112.028	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.T11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 171.810	 	CA :: 60.339	 	CB :: 69.349	 	CG2 :: 20.271	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.014	 	HA :: 4.523	 	HB :: 4.001	 	HG21 :: 0.969	 	HG22 :: 0.969	 	HG23 :: 0.969	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 112.963	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.S12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 56.608	 	CB :: 63.719	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.866	 	HA :: 4.756	 	HB2 :: 3.836	 	HB3 :: 3.624	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 113.777	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.H13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.53   W 0.46   

	C Shift Assignments>> 	CA :: 57.434	 	CB :: 30.896	 	CD2 :: 118.398	 	CE1 :: 136.831	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	HA :: 4.608	 	HB2 :: 3.124	 	HB3 :: 3.346	 	HD2 :: 7.105	 	HE1 :: 8.245	
	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)

	N Shift Assignments>> 	NE2 :: 172.114	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.M14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.51   A 0.48   

	C Shift Assignments>> 	C :: 175.838	 	CA :: 53.621	 	CB :: 34.884	 	CG :: 31.790	 	CE :: 17.441	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.495	 	HA :: 4.729	 	HB2 :: 2.106	 	HB3 :: 1.864	 	HG2 :: 2.569	 	HG3 :: 2.515	
			 	HE1 :: 2.275	 	HE2 :: 2.275	 	HE3 :: 2.275	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 114.777	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	K 0.78   R 0.2   

	C Shift Assignments>> 	CA :: 58.395	 	CB :: 32.143	 	CG :: 24.934	 	CD :: 29.033	 	CE :: 41.940	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	HA :: 4.058	 	HB2 :: 1.851	 	HB3 :: 1.790	 	HG2 :: 1.469	 	HG3 :: 1.551	 	HD2 :: 1.725	
			 	HD3 :: 1.725	 	HE2 :: 3.026	 	HE3 :: 3.026	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)



1.G16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	G 0.91   L 0.07   

	C Shift Assignments>> 	C :: 173.394	 	CA :: 45.885	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 4.104	 	HA3 :: 4.476	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.M17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.93   A 0.04   I 0.01   

	C Shift Assignments>> 	C :: 175.624	 	CA :: 57.142	 	CB :: 35.555	 	CG :: 32.262	 	CE :: 16.186	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.394	 	HA :: 3.980	 	HB2 :: 1.654	 	HB3 :: 1.750	 	HG2 :: 1.710	 	HG3 :: 1.710	
			 	HE1 :: 1.302	 	HE2 :: 1.302	 	HE3 :: 1.302	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 116.275	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.99   

	C Shift Assignments>> 	C :: 178.020	 	CA :: 59.035	 	CB :: 31.522	 	CG :: 24.946	 	CD :: 29.297	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 7.985	 	HA :: 3.778	 	HB2 :: 1.654	 	HB3 :: 1.710	 	HG2 :: 1.261	 	HG3 :: 1.175	
			 	HD2 :: 1.603	 	HD3 :: 1.541	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 119.458	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.G19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.86   L 0.1   R 0.01   

	C Shift Assignments>> 	C :: 173.940	 	CA :: 45.244	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 9.273	 	HA2 :: 3.539	 	HA3 :: 4.140	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 117.811	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.A20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.92   M 0.04   L 0.03   

	C Shift Assignments>> 	C :: 177.220	 	CA :: 52.440	 	CB :: 20.264	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.145	 	HA :: 4.210	 	HB1 :: 1.540	 	HB2 :: 1.540	 	HB3 :: 1.540	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.557	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.E21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.66   M 0.1   K 0.1   I 0.06   Q 0.06   

	C Shift Assignments>> 	C :: 176.540	 	CA :: 56.531	 	CB :: 29.957	 	CG :: 36.552	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.630	 	HA :: 4.650	 	HB2 :: 1.998	 	HB3 :: 2.073	 	HG2 :: 2.202	 	HG3 :: 2.396	
	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)

	N Shift Assignments>> 	N :: 120.220	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.A22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.47   L 0.37   K 0.08   A 0.02   R 0.01   

	C Shift Assignments>> 	C :: 176.020	 	CA :: 50.429	 	CB :: 24.625	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 9.194	 	HA :: 5.571	 	HB1 :: 1.255	 	HB2 :: 1.255	 	HB3 :: 1.255	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 127.497	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.T23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.560	 	CA :: 60.891	 	CB :: 71.576	 	CG2 :: 21.510	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.935	 	HA :: 5.155	 	HB :: 3.814	 	HG21 :: 1.090	 	HG22 :: 1.090	 	HG23 :: 1.090	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 115.561	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.V24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	HN Overlap>>	 1.I9 1.I9

	C Shift Assignments>> 	C :: 177.050	 	CA :: 63.960	 	CB :: 32.282	 	CG1 :: 23.697	 	CG2 :: 21.660	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.652	 	HA :: 4.286	 	HB :: 2.219	 	HG11 :: 1.146	 	HG12 :: 1.146	 	HG13 :: 1.146	
			 	HG21 :: 0.691	 	HG22 :: 0.691	 	HG23 :: 0.691	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 125.186	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.T25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.339	 	CA :: 61.517	 	CB :: 69.025	 	CG2 :: 22.454	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.633	 	HA :: 4.659	 	HB :: 4.404	 	HG1 :: 4.318	 	HG21 :: 1.143	 	HG22 :: 1.143	
			 	HG23 :: 1.143	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 121.794	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.G26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.91   L 0.07   

	C Shift Assignments>> 	C :: 170.090	 	CA :: 45.933	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.001	 	HA2 :: 3.984	 	HA3 :: 4.187	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 110.372	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.A27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.67   A 0.23   K 0.08   

	C Shift Assignments>> 	C :: 175.330	 	CA :: 51.535	 	CB :: 23.251	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.107	 	HA :: 5.110	 	HB1 :: 1.091	 	HB2 :: 1.091	 	HB3 :: 1.091	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.610	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.Y28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.99   

	HN Overlap>>	 1.I8 1.I8

	C Shift Assignments>> 	C :: 173.440	 	CA :: 56.883	 	CB :: 40.902	 	CD1 :: 133.438	 	CD2 :: 133.438	 	CE1 :: 117.475	
			 	CE2 :: 117.475	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.828	 	HA :: 4.484	 	HB2 :: 2.201	 	HB3 :: 2.631	 	HD1 :: 6.928	 	HD2 :: 6.928	
			 	HE1 :: 6.845	 	HE2 :: 6.845	
	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)

	N Shift Assignments>> 	N :: 120.468	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.D29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.37   D 0.35   L 0.14   Y 0.11   

	C Shift Assignments>> 	C :: 175.070	 	CA :: 53.869	 	CB :: 39.803	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.656	 	HA :: 4.838	 	HB2 :: 2.497	 	HB3 :: 2.612	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 126.006	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.T30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.57   S 0.32   A 0.1   

	C Shift Assignments>> 	C :: 172.840	 	CA :: 58.811	 	CB :: 67.461	 	CG2 :: 19.632	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.981	 	HA :: 4.689	 	HB :: 4.014	 	HG21 :: 0.692	 	HG22 :: 0.692	 	HG23 :: 0.692	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 121.346	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.T31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 171.030	 	CA :: 62.097	 	CB :: 69.349	 	CG2 :: 21.201	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.607	 	HA :: 4.514	 	HB :: 3.929	 	HG21 :: 0.482	 	HG22 :: 0.482	 	HG23 :: 0.482	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 118.373	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.A32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.96   L 0.02   

	C Shift Assignments>> 	C :: 174.820	 	CA :: 49.836	 	CB :: 20.788	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.863	 	HA :: 4.603	 	HB1 :: 0.545	 	HB2 :: 0.545	 	HB3 :: 0.545	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 129.397	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.Y33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.99   

	C Shift Assignments>> 	C :: 175.766	 	CA :: 57.092	 	CB :: 40.533	 	CD1 :: 133.593	 	CD2 :: 133.593	 	CE1 :: 117.601	
			 	CE2 :: 117.601	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 9.709	 	HA :: 5.580	 	HB2 :: 2.692	 	HB3 :: 2.896	 	HD1 :: 7.003	 	HD2 :: 7.003	
			 	HE1 :: 6.667	 	HE2 :: 6.667	 	HH :: 10.111	
	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)

	N Shift Assignments>> 	N :: 119.314	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.V34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 177.390	 	CA :: 61.218	 	CB :: 31.839	 	CG1 :: 20.630	 	CG2 :: 23.711	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.218	 	HA :: 4.748	 	HB :: 1.971	 	HG11 :: 0.653	 	HG12 :: 0.653	 	HG13 :: 0.653	
			 	HG21 :: 0.610	 	HG22 :: 0.610	 	HG23 :: 0.610	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 123.981	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.V35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.52   A 0.33   I 0.13   

	C Shift Assignments>> 	C :: 174.560	 	CA :: 58.417	 	CB :: 36.315	 	CG1 :: 22.446	 	CG2 :: 18.422	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.569	 	HA :: 5.594	 	HB :: 2.075	 	HG11 :: 0.837	 	HG12 :: 0.837	 	HG13 :: 0.837	
			 	HG21 :: 0.959	 	HG22 :: 0.959	 	HG23 :: 0.959	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 117.842	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.S36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 173.700	 	CA :: 57.770	 	CB :: 65.546	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.604	 	HA :: 5.635	 	HB2 :: 3.833	 	HB3 :: 3.951	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 117.520	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Y37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.98   G 0.01   

	C Shift Assignments>> 	C :: 171.890	 	CA :: 56.525	 	CB :: 41.812	 	CD1 :: 132.484	 	CD2 :: 132.484	 	CE1 :: 117.205	
			 	CE2 :: 117.205	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.998	 	HA :: 5.229	 	HB2 :: 2.888	 	HB3 :: 2.787	 	HD1 :: 6.432	 	HD2 :: 6.432	
			 	HE1 :: 6.243	 	HE2 :: 6.243	
	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)

	N Shift Assignments>> 	N :: 120.216	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.T38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 171.980	 	CA :: 59.877	 	CB :: 69.602	 	CG2 :: 21.486	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.456	 	HA :: 4.576	 	HB :: 4.085	 	HG21 :: 1.300	 	HG22 :: 1.300	 	HG23 :: 1.300	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 120.212	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 178.708	 	CA :: 62.518	 	CB :: 33.132	 	CG :: 27.785	 	CD :: 51.869	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.684	 	HB2 :: 2.142	 	HB3 :: 2.549	 	HG2 :: 1.925	 	HG3 :: 1.925	 	HD2 :: 3.728	
			 	HD3 :: 3.407	
	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.T40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.387	 	CA :: 63.934	 	CB :: 68.842	 	CG2 :: 20.587	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.730	 	HA :: 4.097	 	HB :: 4.430	 	HG21 :: 1.194	 	HG22 :: 1.194	 	HG23 :: 1.194	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 113.898	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.N41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.76   D 0.07   Y 0.06   M 0.03   E 0.03   L 0.01   

	C Shift Assignments>> 	C :: 175.930	 	CA :: 52.427	 	CB :: 37.572	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 7.897	 	HA :: 4.805	 	HB2 :: 2.699	 	HB3 :: 3.153	 	HD21 :: 6.685	 	HD22 :: 7.655	
	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)

	N Shift Assignments>> 	N :: 115.803	 	ND2 :: 110.859	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.G42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.83   L 0.12   R 0.02   

	C Shift Assignments>> 	C :: 173.960	 	CA :: 45.133	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.810	 	HA2 :: 3.684	 	HA3 :: 4.195	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 108.018	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.G43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.33   R 0.32   G 0.24   D 0.05   Y 0.02   K 0.01   

	C Shift Assignments>> 	C :: 172.670	 	CA :: 43.933	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.560	 	HA2 :: 3.945	 	HA3 :: 3.945	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 104.988	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.Q44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.41   K 0.36   M 0.09   E 0.07   R 0.04   

	C Shift Assignments>> 	C :: 175.330	 	CA :: 55.804	 	CB :: 29.453	 	CG :: 33.668	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 8.054	 	HA :: 4.068	 	HB2 :: 1.963	 	HB3 :: 1.963	 	HG2 :: 2.441	 	HG3 :: 2.441	
			 	HE21 :: 6.879	 	HE22 :: 7.629	
	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)

	N Shift Assignments>> 	N :: 118.139	 	NE2 :: 112.496	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.R45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.8   G 0.11   K 0.07   

	C Shift Assignments>> 	C :: 175.250	 	CA :: 57.618	 	CB :: 30.572	 	CG :: 27.129	 	CD :: 43.386	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 8.257	 	HA :: 3.909	 	HB2 :: 1.646	 	HB3 :: 1.646	 	HG2 :: 1.286	 	HG3 :: 1.286	
			 	HD2 :: 3.004	 	HD3 :: 3.004	 	HE :: 7.492	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 122.103	 	NE :: 85.143	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.V46	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.99   

	HN Overlap>>	 1.K58 1.K58

	C Shift Assignments>> 	C :: 173.780	 	CA :: 62.192	 	CB :: 31.473	 	CG1 :: 21.795	 	CG2 :: 20.572	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.624	 	HA :: 3.747	 	HB :: 0.906(S)	 	HG11 :: 0.767	 	HG12 :: 0.767	 	HG13 :: 0.767	
			 	HG21 :: 0.605	 	HG22 :: 0.605	 	HG23 :: 0.605	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 129.604	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.D47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.36   D 0.23   R 0.22   G 0.07   K 0.05   N 0.02   Y 0.02   

	C Shift Assignments>> 	C :: 175.760	 	CA :: 53.015	 	CB :: 43.082	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.249	 	HA :: 4.750	 	HB2 :: 2.124	 	HB3 :: 2.298	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 125.598	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.H48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.54   H 0.45   

	C Shift Assignments>> 	C :: 173.960	 	CA :: 55.557	 	CB :: 26.117	 	CD2 :: 120.214	 	CE1 :: 139.645	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 9.383	 	HA :: 3.788	 	HB2 :: 2.891	 	HB3 :: 3.129	 	HD2 :: 7.035	 	HE1 :: 8.239	
	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)

	N Shift Assignments>> 	N :: 122.330	 	ND1 :: 185.055	 	NE2 :: 180.419	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.H49	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Anomalous

	PRTL>>	H 0.59   W 0.4   

	C Shift Assignments>> 	C :: 173.780	 	CA :: 58.677	 	CB :: 31.155	 	CD2 :: 117.164	 	CE1 :: 139.342	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 9.560	 	HA :: 4.158	 	HB2 :: 2.841	 	HB3 :: 3.194	 	HD2 :: 6.354	 	HE1 :: 7.877	
	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)

	N Shift Assignments>> 	N :: 120.140	 	ND1 :: 234.529(A)	 	NE2 :: 172.311	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.K50	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	K 0.58   R 0.26   G 0.15   

	C Shift Assignments>> 	C :: 176.280	 	CA :: 50.165	 	CB :: 32.118	 	CG :: 25.900	 	CD :: 29.645	 	CE :: 42.067	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 6.882	 	HA :: 3.742	 	HB2 :: -0.685(S)	 	HB3 :: 0.391(S)	 	HG2 :: 0.582	 	HG3 :: 0.582	
			 	HD2 :: 1.072	 	HD3 :: 1.072	 	HE2 :: 2.493	 	HE3 :: 2.404	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 128.201	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.W51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.99   

	C Shift Assignments>> 	C :: 175.420	 	CA :: 58.582	 	CB :: 35.605	 	CD1 :: 127.619	 	CE3 :: 120.234	 	CZ2 :: 115.452	
			 	CZ3 :: 122.777	 	CH2 :: 124.019	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 7.127	 	HA :: 5.001	 	HB2 :: 2.627	 	HB3 :: 3.277	 	HD1 :: 7.162	 	HE1 :: 11.549	
			 	HE3 :: 7.269	 	HZ2 :: 7.398	 	HZ3 :: 6.836	 	HH2 :: 7.103	
	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)

	N Shift Assignments>> 	N :: 119.211	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.V52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 175.500	 	CA :: 61.054	 	CB :: 35.209	 	CG1 :: 22.431	 	CG2 :: 21.553	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 9.062	 	HA :: 5.254	 	HB :: 2.227	 	HG11 :: 1.064	 	HG12 :: 1.064	 	HG13 :: 1.064	
			 	HG21 :: 0.953	 	HG22 :: 0.953	 	HG23 :: 0.953	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 115.512	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.I53	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 177.740	 	CA :: 59.679	 	CB :: 40.381	 	CG1 :: 25.351	 	CG2 :: 17.454	 	CD1 :: 14.013	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.697	 	HA :: 5.624	 	HB :: 2.004	 	HG12 :: 1.138	 	HG13 :: 1.035	 	HG21 :: -0.170(S)	
			 	HG22 :: -0.170(S)	 	HG23 :: -0.170(S)	 	HD11 :: 0.228	 	HD12 :: 0.228	 	HD13 :: 0.228	
	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)

	N Shift Assignments>> 	N :: 116.119	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.Q54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.5   K 0.31   P 0.13   M 0.03   Q 0.01   

	C Shift Assignments>> 	C :: 177.220	 	CA :: 60.283	 	CB :: 28.253	 	CG :: 30.585	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.955	 	HA :: 3.803	 	HB2 :: 2.034	 	HB3 :: 2.417	 	HG2 :: 2.626	 	HG3 :: 2.326	
			 	HE21 :: 6.995	 	HE22 :: 7.547	
	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)

	N Shift Assignments>> 	N :: 121.960	 	NE2 :: 111.247	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.E55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.69   E 0.26   K 0.02   

	HN Overlap>>	 1.T117 1.T117

	C Shift Assignments>> 	C :: 177.140	 	CA :: 59.460	 	CB :: 28.729	 	CG :: 37.845	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.184	 	HA :: 4.164	 	HB2 :: 1.865	 	HB3 :: 2.087	 	HG2 :: 2.519	 	HG3 :: 2.271	
	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)

	N Shift Assignments>> 	N :: 113.532	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.E56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.69   M 0.22   I 0.04   K 0.02   

	C Shift Assignments>> 	C :: 173.960	 	CA :: 55.593	 	CB :: 30.805	 	CG :: 37.460	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.378	 	HA :: 4.266	 	HB2 :: 2.326	 	HB3 :: 2.659	 	HG2 :: 2.332	 	HG3 :: 2.291	
	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)

	N Shift Assignments>> 	N :: 117.842	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.I57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 175.500	 	CA :: 60.660	 	CB :: 38.394	 	CG1 :: 27.773	 	CG2 :: 17.750	 	CD1 :: 13.894	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 7.537	 	HA :: 4.192	 	HB :: 1.758	 	HG12 :: 1.460	 	HG13 :: 0.564	 	HG21 :: 0.730	
			 	HG22 :: 0.730	 	HG23 :: 0.730	 	HD11 :: 0.195	 	HD12 :: 0.195	 	HD13 :: 0.195	
	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)

	N Shift Assignments>> 	N :: 121.879	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.K58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.84   R 0.13   G 0.01   

	HN Overlap>>	 1.V46 1.V46

	C Shift Assignments>> 	C :: 176.790	 	CA :: 58.081	 	CB :: 32.828	 	CG :: 24.642	 	CD :: 29.336	 	CE :: 42.010	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.641	 	HA :: 3.948	 	HB2 :: 1.530	 	HB3 :: 1.835	 	HG2 :: 1.254	 	HG3 :: 1.324	
			 	HD2 :: 1.542	 	HD3 :: 1.613	 	HE2 :: 2.958	 	HE3 :: 2.958	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 129.700	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.D59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.33   D 0.24   N 0.21   L 0.12   I 0.05   E 0.01   M 0.01   

	C Shift Assignments>> 	C :: 175.850	 	CA :: 55.917	 	CB :: 39.189	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 9.205	 	HA :: 4.336	 	HB2 :: 2.747	 	HB3 :: 2.939	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 121.866	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.A60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.71   M 0.24   L 0.01   I 0.01   

	C Shift Assignments>> 	C :: 178.770	 	CA :: 54.480	 	CB :: 19.340	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.468	 	HA :: 3.990	 	HB1 :: 1.392	 	HB2 :: 1.392	 	HB3 :: 1.392	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.943	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.G61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.93   L 0.06   

	C Shift Assignments>> 	C :: 175.160	 	CA :: 46.530	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.438	 	HA2 :: 3.771	 	HA3 :: 3.838	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 104.536	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.D62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.42   N 0.25   L 0.2   Y 0.05   K 0.05   

	C Shift Assignments>> 	C :: 176.454	 	CA :: 53.050	 	CB :: 40.842	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.595	 	HA :: 4.739	 	HB2 :: 2.650	 	HB3 :: 2.714	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 124.678	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.K63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.84   R 0.14   

	C Shift Assignments>> 	C :: 176.710	 	CA :: 56.503	 	CB :: 33.473	 	CG :: 24.713	 	CD :: 29.031	 	CE :: 41.952	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 7.846	 	HA :: 4.233	 	HB2 :: 1.771	 	HB3 :: 1.840	 	HG2 :: 1.480	 	HG3 :: 1.421	
			 	HD2 :: 1.672	 	HD3 :: 1.672	 	HE2 :: 2.991	 	HE3 :: 2.991	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 120.475	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.T64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.560	 	CA :: 62.443	 	CB :: 68.599	 	CG2 :: 21.848	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.583	 	HA :: 4.372	 	HB :: 4.031	 	HG21 :: 1.240	 	HG22 :: 1.240	 	HG23 :: 1.240	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 119.993	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.L65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.91   R 0.04   A 0.03   

	C Shift Assignments>> 	C :: 175.330	 	CA :: 54.946	 	CB :: 41.205	 	CG :: 27.493	 	CD1 :: 25.905	 	CD2 :: 23.373	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.348	 	HA :: 4.347	 	HB2 :: 1.651	 	HB3 :: 1.424	 	HG :: 1.644	 	HD11 :: 0.596	
			 	HD12 :: 0.596	 	HD13 :: 0.596	 	HD21 :: 0.787	 	HD22 :: 0.787	 	HD23 :: 0.787	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 130.700	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.Q66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.44   M 0.28   K 0.22   E 0.03   R 0.01   

	C Shift Assignments>> 	C :: 173.180	 	CA :: 52.429	 	CB :: 30.137	 	CG :: 33.660	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 8.786	 	HA :: 4.751	 	HB2 :: 2.030	 	HB3 :: 1.843	 	HG2 :: 2.393	 	HG3 :: 2.393	
			 	HE21 :: 7.467	 	HE22 :: 6.876	
	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)

	N Shift Assignments>> 	N :: 118.817	 	NE2 :: 113.156	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.P67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 177.650	 	CA :: 63.558	 	CB :: 31.171	 	CG :: 28.721	 	CD :: 50.584	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.101	 	HB2 :: 1.894	 	HB3 :: 2.295	 	HG2 :: 2.303	 	HG3 :: 1.779	 	HD2 :: 3.818	
			 	HD3 :: 3.634	
	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.G68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.63   L 0.22   R 0.09   D 0.02   Y 0.01   

	C Shift Assignments>> 	C :: 174.900	 	CA :: 44.639	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 9.568	 	HA2 :: 3.717	 	HA3 :: 4.485	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 115.073	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.D69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.32   L 0.25   Y 0.19   K 0.1   N 0.09   I 0.02   

	HN Overlap>>	 1.L73 1.L73

	C Shift Assignments>> 	C :: 174.990	 	CA :: 55.727	 	CB :: 40.657	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.416	 	HA :: 4.545	 	HB2 :: 2.418	 	HB3 :: 2.800	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 123.256	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	Q 0.43   K 0.24   M 0.2   E 0.11   R 0.01   

	C Shift Assignments>> 	C :: 176.450	 	CA :: 54.200	 	CB :: 30.017	 	CG :: 34.146	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 8.376	 	HA :: 5.383	 	HB2 :: 1.959	 	HB3 :: 1.959	 	HG2 :: 2.438	 	HG3 :: 2.250	
			 	HE21 :: 7.557	 	HE22 :: 6.893	
	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)

	N Shift Assignments>> 	N :: 119.830	 	NE2 :: 112.485	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.V71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.54   A 0.4   I 0.05   

	C Shift Assignments>> 	C :: 173.440	 	CA :: 58.289	 	CB :: 35.849	 	CG1 :: 21.850	 	CG2 :: 17.771	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 9.163	 	HA :: 4.753	 	HB :: 2.199	 	HG11 :: 0.691	 	HG12 :: 0.691	 	HG13 :: 0.691	
			 	HG21 :: 0.450	 	HG22 :: 0.450	 	HG23 :: 0.450	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 117.610	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.I72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.98   A 0.01   

	C Shift Assignments>> 	C :: 176.190	 	CA :: 58.609	 	CB :: 38.207	 	CG1 :: 27.200	 	CG2 :: 17.129	 	CD1 :: 11.692	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.827	 	HA :: 4.853	 	HB :: 1.712	 	HG12 :: 1.420	 	HG13 :: 1.232	 	HG21 :: 0.682	
			 	HG22 :: 0.682	 	HG23 :: 0.682	 	HD11 :: 0.751	 	HD12 :: 0.751	 	HD13 :: 0.751	
	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)

	N Shift Assignments>> 	N :: 121.080	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	L 0.88   A 0.05   R 0.03   G 0.02   

	HN Overlap>>	 1.D69 1.D69

	C Shift Assignments>> 	C :: 177.650	 	CA :: 54.632	 	CB :: 42.389	 	CG :: 26.013	 	CD1 :: 25.596	 	CD2 :: 23.149	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.462	 	HA :: 4.425	 	HB2 :: 2.240	 	HB3 :: 0.911	 	HG :: 1.573	 	HD11 :: 0.307	
			 	HD12 :: 0.307	 	HD13 :: 0.307	 	HD21 :: 0.583	 	HD22 :: 0.583	 	HD23 :: 0.583	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 123.335	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.46   M 0.24   Q 0.17   K 0.09   

	C Shift Assignments>> 	C :: 175.500	 	CA :: 55.359	 	CB :: 30.523	 	CG :: 35.637	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.006	 	HA :: 4.586	 	HB2 :: 1.513	 	HB3 :: 2.084	 	HG2 :: 2.138	 	HG3 :: 1.996	
	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)

	N Shift Assignments>> 	N :: 121.386	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.A75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.86   L 0.12   

	C Shift Assignments>> 	C :: 174.470	 	CA :: 51.430	 	CB :: 21.401	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 6.381	 	HA :: 4.228	 	HB1 :: 1.079	 	HB2 :: 1.079	 	HB3 :: 1.079	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.943	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.S76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.590	 	CA :: 54.993	 	CB :: 63.416	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.102	 	HA :: 4.937	 	HB2 :: 3.667	 	HB3 :: 3.905	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 109.806	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.H77	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Anomalous

	PRTL>>	H 0.58   W 0.41   

	C Shift Assignments>> 	C :: 175.785	 	CA :: 56.931	 	CB :: 31.675	 	CD2 :: 116.540	 	CE1 :: 140.886	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 7.157	 	HA :: 4.528	 	HB2 :: 2.905	 	HB3 :: 3.490	 	HD2 :: 6.978	 	HE1 :: 8.530	
	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)

	N Shift Assignments>> 	N :: 119.776	 	ND1 :: 239.768(A)	 	NE2 :: 166.895	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.M78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.67   M 0.32   

	C Shift Assignments>> 	C :: 175.766	 	CA :: 53.217	 	CB :: 36.884	 	CG :: 31.888	 	CE :: 17.340	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.025	 	HA :: 4.763	 	HB2 :: 1.850	 	HB3 :: 2.179	 	HG2 :: 2.512	 	HG3 :: 2.512	
			 	HE1 :: 2.101	 	HE2 :: 2.101	 	HE3 :: 2.101	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 110.892	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	K 0.75   R 0.23   G 0.01   

	C Shift Assignments>> 	C :: 179.538	 	CA :: 58.378	 	CB :: 31.832	 	CG :: 24.908	 	CD :: 29.057	 	CE :: 42.025	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	HA :: 4.085	 	HB2 :: 1.764	 	HB3 :: 1.836	 	HG2 :: 1.545	 	HG3 :: 1.425	 	HD2 :: 1.729	
			 	HD3 :: 1.729	 	HE2 :: 3.013	 	HE3 :: 3.013	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)



1.G80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	G 0.8   L 0.14   R 0.03   

	C Shift Assignments>> 	C :: 172.670	 	CA :: 45.049	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.893	 	HA3 :: 4.298	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.M81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.92   A 0.03   I 0.03   

	C Shift Assignments>> 	C :: 175.330	 	CA :: 58.073	 	CB :: 36.608	 	CG :: 32.645	 	CE :: 16.551	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.453	 	HA :: 3.735	 	HB2 :: 1.754	 	HB3 :: 1.754	 	HG2 :: 2.041	 	HG3 :: 1.338	
			 	HE1 :: 1.511	 	HE2 :: 1.511	 	HE3 :: 1.511	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 118.962	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.81   R 0.17   G 0.01   

	C Shift Assignments>> 	C :: 178.250	 	CA :: 59.340	 	CB :: 31.765	 	CG :: 24.963	 	CD :: 29.365	 	CE :: 42.139	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.153	 	HA :: 3.706	 	HB2 :: 1.570	 	HB3 :: 1.570	 	HG2 :: 1.125	 	HG3 :: 1.199	
			 	HD2 :: 1.542	 	HD3 :: 1.542	 	HE2 :: 2.948	 	HE3 :: 2.948	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 119.285	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.G83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.63   L 0.22   R 0.09   D 0.02   Y 0.01   

	C Shift Assignments>> 	C :: 173.960	 	CA :: 44.650	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 9.043	 	HA2 :: 3.466	 	HA3 :: 4.218	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 116.494	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.A84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.91   M 0.04   L 0.03   

	C Shift Assignments>> 	C :: 177.220	 	CA :: 52.534	 	CB :: 20.270	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.251	 	HA :: 4.187	 	HB1 :: 1.442	 	HB2 :: 1.442	 	HB3 :: 1.442	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 124.213	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.T85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 173.870	 	CA :: 62.683	 	CB :: 69.078	 	CG2 :: 21.503	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.531	 	HA :: 4.751	 	HB :: 4.120	 	HG21 :: 1.188	 	HG22 :: 1.188	 	HG23 :: 1.188	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 116.460	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.A86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.46   A 0.21   P 0.14   G 0.11   K 0.05   

	C Shift Assignments>> 	C :: 174.746	 	CA :: 49.324	 	CB :: 23.708	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 9.634	 	HA :: 5.357	 	HB1 :: 1.136	 	HB2 :: 1.136	 	HB3 :: 1.136	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 130.779	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.E87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.63   E 0.35   Q 0.01   

	C Shift Assignments>> 	C :: 176.146	 	CA :: 54.016	 	CB :: 32.910	 	CG :: 36.850	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.068	 	HA :: 5.184	 	HB2 :: 1.882	 	HB3 :: 1.882	 	HG2 :: 2.124	 	HG3 :: 2.034	
	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)

	N Shift Assignments>> 	N :: 119.573	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.I88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.97   A 0.01   

	C Shift Assignments>> 	C :: 176.144	 	CA :: 59.628	 	CB :: 36.040	 	CG1 :: 26.505	 	CG2 :: 18.053	 	CD1 :: 9.925	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.438	 	HA :: 4.053	 	HB :: 2.299	 	HG12 :: 1.417	 	HG13 :: 1.110	 	HG21 :: 0.722	
			 	HG22 :: 0.722	 	HG23 :: 0.722	 	HD11 :: 0.244	 	HD12 :: 0.244	 	HD13 :: 0.244	
	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)

	N Shift Assignments>> 	N :: 122.544	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.D89	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.28   K 0.27   R 0.16   D 0.15   Y 0.09   N 0.01   

	C Shift Assignments>> 	C :: 176.146	 	CA :: 56.413	 	CB :: 42.190	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 9.751	 	HA :: 4.939	 	HB2 :: 2.294	 	HB3 :: 2.468	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 129.305	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 171.117	 	CA :: 58.126	 	CB :: 64.038	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.853	 	HA :: 4.511	 	HB2 :: 3.902	 	HB3 :: 3.902	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 110.634	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.A91	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.42   L 0.38   K 0.1   R 0.04   Q 0.01   H 0.01   

	C Shift Assignments>> 	C :: 176.790	 	CA :: 51.197	 	CB :: 25.156(S)	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.576	 	HA :: 5.125	 	HB1 :: 1.185	 	HB2 :: 1.185	 	HB3 :: 1.185	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.761	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.E92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.65   E 0.27   Q 0.06   

	C Shift Assignments>> 	C :: 174.130	 	CA :: 55.299	 	CB :: 33.074	 	CG :: 35.551	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.963	 	HA :: 4.498	 	HB2 :: 1.756	 	HB3 :: 1.817	 	HG2 :: 2.070	 	HG3 :: 2.070	
	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)

	N Shift Assignments>> 	N :: 120.931	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.K93	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.64   R 0.34   

	C Shift Assignments>> 	C :: 175.590	 	CA :: 56.050	 	CB :: 31.196	 	CG :: 24.594	 	CD :: 28.695	 	CE :: 42.049	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.704	 	HA :: 4.582	 	HB2 :: 1.662	 	HB3 :: 1.753	 	HG2 :: 1.321	 	HG3 :: 1.321	
			 	HD2 :: 1.572	 	HD3 :: 1.572	 	HE2 :: 2.862	 	HE3 :: 2.862	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 127.485	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.T94	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.6   A 0.24   T 0.14   

	HN Overlap>>	 1.K124 1.K124

	C Shift Assignments>> 	C :: 172.150	 	CA :: 59.408	 	CB :: 68.136	 	CG2 :: 17.753(S)	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.130	 	HA :: 4.593	 	HB :: 4.006	 	HG21 :: 0.545	 	HG22 :: 0.545	 	HG23 :: 0.545	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 122.334	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.T95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 173.100	 	CA :: 62.097	 	CB :: 69.638	 	CG2 :: 21.247	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.041	 	HA :: 4.844	 	HB :: 3.709	 	HG21 :: 0.582	 	HG22 :: 0.582	 	HG23 :: 0.582	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 118.804	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.V96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 173.530	 	CA :: 59.361	 	CB :: 33.403	 	CG1 :: 21.211	 	CG2 :: 20.428	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.689	 	HA :: 4.367	 	HB :: 1.494	 	HG11 :: 0.128	 	HG12 :: 0.128	 	HG13 :: 0.128	
			 	HG21 :: 0.073	 	HG22 :: 0.073	 	HG23 :: 0.073	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 121.309	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.Y97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.99   

	HN Overlap>>	 1.N112 1.N112

	C Shift Assignments>> 	C :: 176.020	 	CA :: 56.824	 	CB :: 40.261	 	CD1 :: 133.691	 	CD2 :: 133.691	 	CE1 :: 117.130	
			 	CE2 :: 117.130	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 9.455	 	HA :: 5.594	 	HB2 :: 2.652	 	HB3 :: 2.976	 	HD1 :: 7.029	 	HD2 :: 7.029	
			 	HE1 :: 6.565	 	HE2 :: 6.565	
	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)

	N Shift Assignments>> 	N :: 119.276	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.M98	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.57   M 0.4   I 0.01   

	HN Overlap>>	 1.K109 1.K109

	C Shift Assignments>> 	C :: 176.660	 	CA :: 53.490	 	CB :: 36.281	 	CG :: 30.204	 	CE :: 16.106	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 8.611	 	HA :: 5.515	 	HB2 :: 1.863	 	HB3 :: 1.923	 	HG2 :: 2.220	 	HG3 :: 2.089	
			 	HE1 :: 1.979	 	HE2 :: 1.979	 	HE3 :: 1.979	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 123.476	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.V99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.53   A 0.41   I 0.04   

	C Shift Assignments>> 	C :: 174.040	 	CA :: 58.109	 	CB :: 36.247	 	CG1 :: 22.086	 	CG2 :: 18.588	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.308	 	HA :: 5.644	 	HB :: 2.120	 	HG11 :: 0.786	 	HG12 :: 0.786	 	HG13 :: 0.786	
			 	HG21 :: 0.920	 	HG22 :: 0.920	 	HG23 :: 0.920	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 114.058	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.D100	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	D 0.4   L 0.26   N 0.14   K 0.09   R 0.04   Y 0.03   

	C Shift Assignments>> 	C :: 176.790	 	CA :: 52.267	 	CB :: 41.786	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.524	 	HA :: 5.698(S)	 	HB2 :: 2.561	 	HB3 :: 2.618	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 121.798	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.Y101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.95   G 0.04   

	C Shift Assignments>> 	C :: 172.240	 	CA :: 56.206	 	CB :: 42.459	 	CD1 :: 132.443	 	CD2 :: 132.443	 	CE1 :: 117.450	
			 	CE2 :: 117.450	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.941	 	HA :: 5.498	 	HB2 :: 2.722	 	HB3 :: 2.983	 	HD1 :: 6.578	 	HD2 :: 6.578	
			 	HE1 :: 6.317	 	HE2 :: 6.317	
	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)

	N Shift Assignments>> 	N :: 118.710	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.T102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.300	 	CA :: 61.281	 	CB :: 69.180	 	CG2 :: 21.127	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.983	 	HA :: 4.704	 	HB :: 4.048	 	HG21 :: 1.017	 	HG22 :: 1.017	 	HG23 :: 1.017	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 117.340	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.S103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 178.340	 	CA :: 57.626	 	CB :: 63.372	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.779	 	HA :: 4.715	 	HB2 :: 4.062	 	HB3 :: 4.062	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 121.874	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.T104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.850	 	CA :: 63.703	 	CB :: 68.488	 	CG2 :: 20.591	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.941	 	HA :: 4.179	 	HB :: 4.455	 	HG21 :: 1.252	 	HG22 :: 1.252	 	HG23 :: 1.252	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 121.162	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.T105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 176.450	 	CA :: 62.364	 	CB :: 68.077	 	CG2 :: 22.801	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.095	 	HA :: 4.404	 	HB :: 4.170	 	HG21 :: 1.156	 	HG22 :: 1.156	 	HG23 :: 1.156	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 112.035	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.S106	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	S 0.97   T 0.02   

	C Shift Assignments>> 	C :: 176.122	 	CA :: 57.497	 	CB :: 65.733	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	HA :: 4.703	 	HB2 :: 3.793	 	HB3 :: 4.085	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)



1.G107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.91   L 0.07   

	C Shift Assignments>> 	C :: 173.323	 	CA :: 45.893	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.650	 	HA2 :: 3.788	 	HA3 :: 4.140	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 110.836	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.E108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.53   M 0.24   Q 0.12   K 0.07   I 0.01   

	C Shift Assignments>> 	C :: 175.079	 	CA :: 55.922	 	CB :: 30.671	 	CG :: 35.919	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.991	 	HA :: 4.168	 	HB2 :: 1.848	 	HB3 :: 1.848	 	HG2 :: 2.170	 	HG3 :: 2.061	
	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)

	N Shift Assignments>> 	N :: 120.330	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.K109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.7   R 0.28   

	HN Overlap>>	 1.M98 1.M98

	C Shift Assignments>> 	C :: 175.719	 	CA :: 55.683	 	CB :: 31.323	 	CG :: 24.573	 	CD :: 28.696	 	CE :: 41.825	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.535	 	HA :: 4.458	 	HB2 :: 1.671	 	HB3 :: 1.671	 	HG2 :: 1.318	 	HG3 :: 1.318	
			 	HD2 :: 1.575	 	HD3 :: 1.575	 	HE2 :: 2.905	 	HE3 :: 2.905	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 123.531	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.V110	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 175.126	 	CA :: 62.437	 	CB :: 31.524	 	CG1 :: 21.559	 	CG2 :: 20.047	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 9.014	 	HA :: 3.788	 	HB :: 0.715(S)	 	HG11 :: 0.830	 	HG12 :: 0.830	 	HG13 :: 0.830	
			 	HG21 :: 0.483	 	HG22 :: 0.483	 	HG23 :: 0.483	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 130.621	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.K111	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.9   R 0.07   G 0.01   

	C Shift Assignments>> 	C :: 176.786	 	CA :: 53.923	 	CB :: 34.314	 	CG :: 24.783	 	CD :: 28.679	 	CE :: 41.841	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.368	 	HA :: 4.731	 	HB2 :: 1.577	 	HB3 :: 1.646	 	HG2 :: 1.207	 	HG3 :: 1.337	
			 	HD2 :: 1.589	 	HD3 :: 1.589	 	HE2 :: 2.906	 	HE3 :: 2.906	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 125.376	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N112	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.52   E 0.16   M 0.12   Y 0.09   D 0.03   K 0.02   

	HN Overlap>>	 1.Y97 1.Y97

	C Shift Assignments>> 	C :: 174.130	 	CA :: 53.565	 	CB :: 36.774	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 9.547	 	HA :: 3.968	 	HB2 :: 2.883	 	HB3 :: 2.986	 	HD21 :: 7.596	 	HD22 :: 6.927	
	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)

	N Shift Assignments>> 	N :: 119.254	 	ND2 :: 114.045	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.H113	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Anomalous

	PRTL>>	H 0.5   W 0.49   

	C Shift Assignments>> 	C :: 173.916	 	CA :: 59.604	 	CB :: 30.878	 	CD2 :: 117.438	 	CE1 :: 139.608	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 9.258	 	HA :: 4.052	 	HB2 :: 3.335	 	HB3 :: 2.867	 	HD2 :: 6.322	 	HE1 :: 7.798	
	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)

	N Shift Assignments>> 	N :: 118.220	 	ND1 :: 237.086(A)	 	NE2 :: 170.641	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.K114	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	G 0.49   K 0.33   A 0.14   R 0.03   

	C Shift Assignments>> 	C :: 175.933	 	CA :: 49.735	 	CB :: 33.083	 	CG :: 23.682	 	CD :: 29.979	 	CE :: 42.456	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 6.698	 	HA :: 3.637	 	HB2 :: 0.248(S)	 	HB3 :: -1.224(A)	 	HG2 :: -1.268(A)	 	HG3 :: 0.489	
			 	HD2 :: 1.098	 	HD3 :: 1.098	 	HE2 :: 2.667	 	HE3 :: 2.621	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 128.240	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.W115	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.99   

	C Shift Assignments>> 	C :: 174.818	 	CA :: 57.934	 	CB :: 36.834(S)	 	CD1 :: 127.780	 	CE3 :: 120.232	 	CZ2 :: 115.863	
			 	CZ3 :: 122.152	 	CH2 :: 123.707	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 7.199	 	HA :: 5.005	 	HB2 :: 2.638	 	HB3 :: 3.248	 	HD1 :: 7.290	 	HE1 :: 11.832	
			 	HE3 :: 7.501	 	HZ2 :: 7.276	 	HZ3 :: 6.877	 	HH2 :: 6.755	
	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)

	N Shift Assignments>> 	N :: 118.637	 	NE1 :: 134.302	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.V116	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 175.482	 	CA :: 59.945	 	CB :: 35.255	 	CG1 :: 22.908	 	CG2 :: 21.201	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.974	 	HA :: 5.410	 	HB :: 2.404	 	HG11 :: 1.068	 	HG12 :: 1.068	 	HG13 :: 1.068	
			 	HG21 :: 0.988	 	HG22 :: 0.988	 	HG23 :: 0.988	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 114.108	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.T117	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	T 0.99   

	HN Overlap>>	 1.E55 1.E55

	C Shift Assignments>> 	CA :: 60.576	 	CB :: 70.927	 	CG2 :: 20.073	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.145	 	HA :: 4.887	 	HB :: 4.301	 	HG21 :: -0.181(S)	 	HG22 :: -0.181(S)	 	HG23 :: -0.181(S)	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 113.593	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.E118	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.51   M 0.17   Q 0.13   I 0.1   K 0.06   

	C Shift Assignments>> 	C :: 177.310	 	CA :: 60.249	 	CB :: 30.906	 	CG :: 35.324	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.158	 	HA :: 3.879	 	HB2 :: 2.070	 	HB3 :: 2.437	 	HG2 :: 2.420	 	HG3 :: 2.205	
	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)

	N Shift Assignments>> 	N :: 118.844	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.D119	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   L 0.26   Y 0.17   K 0.14   N 0.07   I 0.01   R 0.01   

	C Shift Assignments>> 	C :: 177.220	 	CA :: 55.710	 	CB :: 40.872	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.066	 	HA :: 4.590	 	HB2 :: 2.612	 	HB3 :: 2.768	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 112.600	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.E120	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.7   M 0.15   I 0.1   K 0.02   

	C Shift Assignments>> 	C :: 174.210	 	CA :: 56.497	 	CB :: 30.610	 	CG :: 37.775	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.945	 	HA :: 4.310	 	HB2 :: 2.321	 	HB3 :: 2.575	 	HG2 :: 2.670	 	HG3 :: 2.142	
	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)

	N Shift Assignments>> 	N :: 118.377	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.L121	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.78   L 0.21   

	C Shift Assignments>> 	C :: 176.110	 	CA :: 53.123	 	CB :: 45.950	 	CG :: 25.170	 	CD1 :: 25.270	 	CD2 :: 24.882	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 7.475	 	HA :: 5.163	 	HB2 :: 1.127	 	HB3 :: 1.639	 	HG :: 1.754	 	HD11 :: 0.327	
			 	HD12 :: 0.327	 	HD13 :: 0.327	 	HD21 :: 0.586	 	HD22 :: 0.586	 	HD23 :: 0.586	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 117.183	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S122	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 173.270	 	CA :: 56.887	 	CB :: 65.542	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.744	 	HA :: 4.745	 	HB2 :: 3.636	 	HB3 :: 3.833	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 114.090	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.A123	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.86   M 0.13   

	C Shift Assignments>> 	C :: 177.390	 	CA :: 52.722	 	CB :: 18.994	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.774	 	HA :: 4.299	 	HB1 :: 1.388	 	HB2 :: 1.388	 	HB3 :: 1.388	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.867	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.K124	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.82   R 0.16   

	HN Overlap>>	 1.T94 1.T94

	C Shift Assignments>> 	C :: 176.020	 	CA :: 56.396	 	CB :: 32.945	 	CG :: 24.954	 	CD :: 29.365	 	CE :: 41.964	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.171	 	HA :: 4.214	 	HB2 :: 1.434	 	HB3 :: 1.712	 	HG2 :: 1.343	 	HG3 :: 1.273	
			 	HD2 :: 1.616	 	HD3 :: 1.543	 	HE2 :: 2.966	 	HE3 :: 2.904	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 122.326	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.L125	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.89   A 0.04   R 0.04   G 0.02   

	C Shift Assignments>> 	C :: 177.050	 	CA :: 54.773	 	CB :: 42.389	 	CG :: 26.838	 	CD1 :: 24.882	 	CD2 :: 23.240	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.475	 	HA :: 4.361	 	HB2 :: 1.455	 	HB3 :: 1.552	 	HG :: 1.560	 	HD11 :: 0.884	
			 	HD12 :: 0.884	 	HD13 :: 0.884	 	HD21 :: 0.819	 	HD22 :: 0.819	 	HD23 :: 0.819	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 125.990	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E126	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.56   M 0.19   Q 0.12   K 0.09   I 0.02   

	C Shift Assignments>> 	C :: 176.020	 	CA :: 56.268	 	CB :: 30.456	 	CG :: 35.995	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.419	 	HA :: 4.219	 	HB2 :: 1.813	 	HB3 :: 1.904	 	HG2 :: 2.129	 	HG3 :: 2.183	
	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)

	N Shift Assignments>> 	N :: 121.870	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.H127	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H128	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H129	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H130	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H131	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H132	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable






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

Overall Results:

	      #Consistent: 119      #Clerical:   0      #Suspicious:   9      #Anomalous:   4      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 126      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   6


Shift Relative Order (SRO) Results:

	      #Consistent: 132      #Suspicious:   0


C Shift Results:

	      #Consistent: 539      #Duplicate:   0      #Unknown:   0      #Suspicious:   3      #Anomalous:   0


H Shift Results:

	      #Consistent: 848      #Duplicate:   0      #Unknown:   0      #Suspicious:  12      #Anomalous:   2


N Shift Results:

	      #Consistent: 132      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   3



Error Summary:

1.V46	HB = 0.906(S),	 Expected =  1.98, Std = 0.3200, ChiSquare = 7.9007e-04
1.H49	ND1 = 234.529(A),	 Expected = 195.02, Std = 18.5100, ChiSquare = 3.2805e-02
1.K50	HB2 = -0.685(S),	 Expected =  1.78, Std = 0.2500, ChiSquare = 6.2049e-23
1.K50	HB3 = 0.391(S),	 Expected =  1.74, Std = 0.2700, ChiSquare = 5.8442e-07
1.I53	HG21 = -0.170(S),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.9865e-04
1.I53	HG22 = -0.170(S),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.9865e-04
1.I53	HG23 = -0.170(S),	 Expected =  0.77, Std = 0.2700, ChiSquare = 4.9865e-04
1.H77	ND1 = 239.768(A),	 Expected = 195.02, Std = 18.5100, ChiSquare = 1.5627e-02
1.A91	CB = 25.156(S),	 Expected = 19.01, Std = 1.8300, ChiSquare = 7.8375e-04
1.T94	CG2 = 17.753(S),	 Expected = 21.55, Std = 1.1100, ChiSquare = 6.2455e-04
1.D100	HA = 5.698(S),	 Expected =  4.59, Std = 0.3200, ChiSquare = 5.3518e-04
1.V110	HB = 0.715(S),	 Expected =  1.98, Std = 0.3200, ChiSquare = 7.7137e-05
1.H113	ND1 = 237.086(A),	 Expected = 195.02, Std = 18.5100, ChiSquare = 2.3050e-02
1.K114	HB2 = 0.248(S),	 Expected =  1.78, Std = 0.2500, ChiSquare = 8.8991e-10
1.K114	HB3 = -1.224(A),	 Expected =  1.74, Std = 0.2700, ChiSquare = 4.8880e-28
1.K114	HG2 = -1.268(A),	 Expected =  1.37, Std = 0.2600, ChiSquare = 3.4468e-24
1.W115	CB = 36.834(S),	 Expected = 30.01, Std = 2.0100, ChiSquare = 6.8622e-04
1.T117	HG21 = -0.181(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 9.2751e-09
1.T117	HG22 = -0.181(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 9.2751e-09
1.T117	HG23 = -0.181(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 9.2751e-09