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: Consistent

	PRTL>>	R 0.27   Q 0.24   M 0.17   K 0.13   E 0.12   P 0.02   

	C Shift Assignments>> 	C :: 173.428	 	CA :: 52.663	 	CB :: 29.990	
	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 :: 8.307	 	HA :: 4.089	 	HB2 :: 1.512	 	HB3 :: 1.639	 	HG2 :: 2.694	 	HG3 :: 2.694	
	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 :: 124.287	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.T2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.52   S 0.47   

	C Shift Assignments>> 	C :: 173.586	 	CA :: 59.007	 	CB :: 66.965	
	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 :: 8.116	 	HA :: 4.005	 	HB :: 3.891	 	HG21 :: 0.881	 	HG22 :: 0.881	 	HG23 :: 0.881	
	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 :: 117.304	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.R3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.41   Q 0.24   K 0.13   R 0.09   E 0.07   M 0.02   

	C Shift Assignments>> 	C :: 174.087	 	CA :: 53.478	 	CB :: 27.691	
	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 :: 8.291	 	HA :: 4.014	 	HB2 :: 1.461	 	HB3 :: 1.545	 	HG2 :: 1.306	 	HG3 :: 1.345	
			 	HD2 :: 3.740	 	HD3 :: 3.740	
	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 :: 124.164	
	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.G4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.4   K 0.22   R 0.16   D 0.14   I 0.02   N 0.01   G 0.01   

	C Shift Assignments>> 	C :: 171.177	 	CA :: 42.399	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.250	 	HA2 :: 3.624	 	HA3 :: 3.624	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 110.360	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.N5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.52   M 0.23   P 0.08   Q 0.05   E 0.04   K 0.04   

	C Shift Assignments>> 	C :: 172.609	 	CA :: 50.412	 	CB :: 35.560	
	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 :: 8.098	 	HA :: 4.375	 	HB2 :: 2.455	 	HB3 :: 2.542	
	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 :: 119.499	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	L 0.42   R 0.28   Q 0.15   K 0.06   E 0.04   M 0.01   

	HN Overlap>>	 1.Q46 1.Q46

	C Shift Assignments>> 	C :: 173.530	 	CA :: 53.870	 	CB :: 27.185	
	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 :: 7.770	 	HA :: 3.893	 	HB2 :: 1.672	 	HB3 :: 1.717	 	HG2 :: 1.918	 	HG3 :: 2.034	
	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 :: 121.483	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.R7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.26   R 0.26   K 0.16   M 0.15   E 0.14   

	C Shift Assignments>> 	CA :: 53.394	 	CB :: 29.856	
	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 :: 7.990	 	HA :: 3.954	 	HB2 :: 1.499	 	HB3 :: 1.446	 	HG2 :: 1.099	 	HG3 :: 1.099	
			 	HD2 :: 2.648	 	HD3 :: 2.648	
	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 :: 122.977	
	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.E8	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable


	C Shift Assignments>> 	C :: 174.706	
	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)



1.L9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.59   D 0.27   L 0.09   M 0.01   E 0.01   I 0.01   

	C Shift Assignments>> 	C :: 173.298	 	CA :: 54.042	 	CB :: 38.891	
	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 :: 7.893	 	HA :: 3.868	 	HD11 :: 1.360	 	HD12 :: 1.360	 	HD13 :: 1.360	 	HD21 :: 1.360	
			 	HD22 :: 1.360	 	HD23 :: 1.360	
	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 :: 121.780	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.A10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.69   M 0.3   

	HN Overlap>>	 1.E42 1.E42 1.A35 1.A35

	C Shift Assignments>> 	C :: 175.822	 	CA :: 50.688	 	CB :: 15.475	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.781	 	HA :: 3.854	 	HB1 :: 1.095	 	HB2 :: 1.095	 	HB3 :: 1.095	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.400	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.R11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.46   Q 0.23   K 0.11   E 0.07   R 0.07   M 0.02   I 0.01   

	C Shift Assignments>> 	C :: 174.749	 	CA :: 54.512	 	CB :: 27.376	
	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 :: 7.764	 	HA :: 3.864	 	HB2 :: 1.513	 	HB3 :: 1.591	 	HG2 :: 1.262	 	HG3 :: 1.376	
			 	HD2 :: 2.873	 	HD3 :: 2.873	
	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 :: 120.179	
	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.Q12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.46   K 0.22   R 0.2   Q 0.07   E 0.01   

	C Shift Assignments>> 	C :: 173.881	 	CA :: 54.002	 	CB :: 25.859	
	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 :: 7.943	 	HA :: 3.858	 	HB2 :: 1.729	 	HB3 :: 1.805	 	HG2 :: 2.147	 	HG3 :: 2.147	
	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 :: 120.392	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.K13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.29   R 0.27   E 0.2   M 0.13   K 0.06   

	C Shift Assignments>> 	C :: 174.169	 	CA :: 54.619	 	CB :: 29.796	
	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 :: 7.848	 	HA :: 3.857	 	HG2 :: 1.093	 	HG3 :: 1.176	 	HD2 :: 1.352	 	HD3 :: 1.352	
	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 :: 122.140	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.51   M 0.25   E 0.05   Q 0.05   K 0.04   P 0.04   

	C Shift Assignments>> 	C :: 172.779	 	CA :: 50.856	 	CB :: 35.580	
	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 :: 8.009	 	HA :: 4.319	 	HB2 :: 2.452	 	HB3 :: 2.531	
	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 :: 118.975	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.M15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.27   R 0.24   K 0.18   M 0.13   E 0.13   L 0.01   

	C Shift Assignments>> 	C :: 173.787	 	CA :: 53.072	 	CB :: 29.631	
	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 :: 7.897	 	HA :: 4.084	 	HB2 :: 1.711	 	HB3 :: 1.785	 	HG2 :: 2.227	 	HG3 :: 2.321	
	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 :: 121.188	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.31   R 0.28   E 0.17   M 0.15   K 0.05   L 0.01   

	C Shift Assignments>> 	CA :: 53.623	 	CB :: 29.692	
	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 :: 7.913	 	HA :: 3.926	
	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 :: 122.813	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.K17	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.Q18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	L 0.51   R 0.24   K 0.11   Q 0.09   E 0.01   

	C Shift Assignments>> 	C :: 173.589	 	CA :: 53.326	 	CB :: 26.321	
	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>> 	HA :: 3.977	 	HB2 :: 1.705	 	HB3 :: 1.793	 	HG2 :: 2.076	 	HG3 :: 2.076	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)



1.S19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 171.791	 	CA :: 55.931	 	CB :: 60.591	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.173	 	HA :: 4.061	 	HB2 :: 3.535	 	HB3 :: 3.602	
	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 :: 117.655	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.D20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.84   D 0.1   L 0.02   M 0.01   E 0.01   

	C Shift Assignments>> 	C :: 173.757	 	CA :: 51.831	 	CB :: 37.993	
	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 :: 8.162	 	HA :: 4.291	 	HB2 :: 2.365	 	HB3 :: 2.365	
	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 :: 123.219	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 171.893	 	CA :: 55.881	 	CB :: 60.762	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.929	 	HA :: 4.087	 	HB2 :: 3.556	 	HB3 :: 3.556	
	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 :: 116.434	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.V22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.23   E 0.2   K 0.18   R 0.14   Q 0.14   V 0.05   M 0.03   

	C Shift Assignments>> 	C :: 173.634	 	CA :: 59.883	 	CB :: 29.357	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 7.796	 	HA :: 3.853	 	HB :: 1.783	 	HG11 :: 0.614	 	HG12 :: 0.614	 	HG13 :: 0.614	
			 	HG21 :: 0.614	 	HG22 :: 0.614	 	HG23 :: 0.614	
	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 :: 122.351	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.K23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.3   R 0.28   E 0.17   M 0.15   K 0.06   L 0.01   

	C Shift Assignments>> 	C :: 174.376	 	CA :: 53.839	 	CB :: 29.795	
	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 :: 8.089	 	HA :: 3.936	 	HB2 :: 1.448	 	HB3 :: 1.510	 	HG2 :: 1.088	 	HG3 :: 1.161	
			 	HD2 :: 1.332	 	HD3 :: 1.332	
	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 :: 125.301	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.G24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.36   K 0.31   D 0.17   R 0.09   I 0.03   N 0.01   

	C Shift Assignments>> 	C :: 175.112	 	CA :: 42.106	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.111	 	HA2 :: 3.593	 	HA3 :: 3.593	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 110.324	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.K25	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent


	C Shift Assignments>> 	C :: 176.142	
	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 :: 7.839	 	HA :: 3.834	
	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 :: 120.296	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.R26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.42   Q 0.23   K 0.1   E 0.09   R 0.06   I 0.05   M 0.01   

	HN Overlap>>	 1.Q38 1.Q38

	C Shift Assignments>> 	C :: 177.554	 	CA :: 56.085	 	CB :: 27.131	
	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 :: 7.611	 	HA :: 3.811	 	HB2 :: 1.212	 	HB3 :: 1.366	 	HG2 :: 1.115	 	HG3 :: 1.115	
	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 :: 120.303	
	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.R27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.56   L 0.3   Q 0.06   K 0.02   R 0.02   E 0.01   

	C Shift Assignments>> 	C :: 174.243	 	CA :: 51.762	 	CB :: 27.121	
	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 :: 8.135	 	HA :: 3.799	
	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 :: 121.255	
	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.D28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.73   D 0.15   L 0.03   E 0.03   M 0.02   

	C Shift Assignments>> 	C :: 173.159	 	CA :: 53.475	 	CB :: 38.120	
	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 :: 8.209	 	HA :: 4.305	 	HB2 :: 2.325	 	HB3 :: 2.407	
	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 :: 122.573	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	N 0.85   D 0.09   M 0.01   L 0.01   E 0.01   

	C Shift Assignments>> 	C :: 174.231	 	CA :: 51.627	 	CB :: 37.880	
	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 :: 7.993	 	HA :: 4.206	 	HB2 :: 2.355	 	HB3 :: 2.433	
	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 :: 121.896	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.G30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.39   R 0.27   K 0.15   D 0.12   G 0.02   I 0.02   

	C Shift Assignments>> 	C :: 171.703	 	CA :: 42.694	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.196	 	HA2 :: 3.591	 	HA3 :: 3.591	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 109.371	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.L31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.54   D 0.34   L 0.1   

	C Shift Assignments>> 	C :: 175.162	 	CA :: 52.257	 	CB :: 39.840	
	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 :: 7.723	 	HA :: 3.995	 	HB2 :: 1.192	 	HB3 :: 1.192	 	HG :: 1.388	 	HD11 :: 0.507	
			 	HD12 :: 0.507	 	HD13 :: 0.507	 	HD21 :: 0.507	 	HD22 :: 0.507	 	HD23 :: 0.507	
	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 :: 121.803	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 171.861	 	CA :: 55.208	 	CB :: 61.232	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.175	 	HA :: 4.079	 	HB2 :: 3.709	 	HB3 :: 3.904	
	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 :: 118.497	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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

	PRTL>>	M 0.52   A 0.46   

	C Shift Assignments>> 	C :: 174.755	 	CA :: 52.167	 	CB :: 14.922	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.442	 	HA :: 3.776	 	HB1 :: 1.129	 	HB2 :: 1.129	 	HB3 :: 1.129	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 124.945	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.A34	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.46   K 0.33   R 0.12   Q 0.04   I 0.01   

	C Shift Assignments>> 	C :: 175.633	 	CA :: 55.131	 	CB :: 25.372(S)	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.813	 	HA :: 3.829	 	HB1 :: 1.574	 	HB2 :: 1.574	 	HB3 :: 1.574	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.081	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.A35	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent


	HN Overlap>>	 1.E42 1.A10 1.E42 1.A10

	C Shift Assignments>> 	C :: 173.425	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.765	 	HA :: 3.879	 	HB1 :: 1.093	 	HB2 :: 1.093	 	HB3 :: 1.093	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.385	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.R36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.27   Q 0.25   M 0.16   K 0.14   E 0.14   

	C Shift Assignments>> 	CA :: 53.247	 	CB :: 29.982	
	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 :: 8.118	 	HA :: 3.961	 	HB3 :: 1.490	 	HD2 :: 2.638	 	HD3 :: 2.638	
	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 :: 124.349	
	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.K37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable

	PRTL>>	L 0.35   R 0.33   Q 0.19   E 0.07   I 0.03   M 0.01   

	C Shift Assignments>> 	C :: 174.532	 	CA :: 55.675	 	CB :: 27.208	
	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)



1.Q38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.25   K 0.22   E 0.2   R 0.19   M 0.07   I 0.01   L 0.01   

	HN Overlap>>	 1.R26 1.R26

	C Shift Assignments>> 	CA :: 55.909	 	CB :: 29.402	
	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 :: 7.621	 	HA :: 3.859	 	HB2 :: 1.801	 	HB3 :: 1.801	 	HG2 :: 2.073	 	HG3 :: 2.073	
	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 :: 120.279	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.R39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable

	PRTL>>	L 0.54   Q 0.19   K 0.11   E 0.06   R 0.04   I 0.03   M 0.01   

	C Shift Assignments>> 	C :: 175.473	 	CA :: 55.462	 	CB :: 26.738	
	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)



1.D40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.54   E 0.21   M 0.13   D 0.04   K 0.02   L 0.01   I 0.01   

	C Shift Assignments>> 	C :: 175.784	 	CA :: 53.907	 	CB :: 36.870	
	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 :: 8.187	 	HA :: 4.139	 	HB2 :: 2.362	 	HB3 :: 2.445	
	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 :: 120.146	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 177.184	 	CA :: 57.966	 	CB :: 59.989	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.777	 	HA :: 4.002	 	HB2 :: 3.692	 	HB3 :: 3.692	
	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 :: 116.769	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.E42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.6   L 0.22   R 0.09   K 0.03   Q 0.02   

	HN Overlap>>	 1.A10 1.A35 1.A10 1.A35

	C Shift Assignments>> 	C :: 172.611	 	CA :: 51.495	 	CB :: 26.384	
	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 :: 7.772	 	HA :: 3.806	
	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 :: 123.320	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.I43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.34   V 0.29   E 0.2   K 0.06   M 0.05   Q 0.03   

	C Shift Assignments>> 	C :: 175.446	 	CA :: 61.064	 	CB :: 35.524	
	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 :: 7.765	 	HA :: 3.658	 	HG12 :: 1.621	 	HG13 :: 1.621	 	HD11 :: 0.592	 	HD12 :: 0.592	
			 	HD13 :: 0.592	
	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 :: 121.362	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.M44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.28   K 0.24   R 0.17   E 0.15   M 0.06   L 0.05   I 0.01   

	C Shift Assignments>> 	C :: 175.269	 	CA :: 54.610	 	CB :: 28.923	
	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 :: 7.683	 	HA :: 3.982	 	HB2 :: 1.851	 	HB3 :: 1.851	 	HG2 :: 2.273	 	HG3 :: 2.353	
	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 :: 120.928	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.Q45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.42   K 0.26   R 0.2   Q 0.07   E 0.01   I 0.01   

	C Shift Assignments>> 	C :: 174.847	 	CA :: 54.859	 	CB :: 25.804	
	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 :: 7.917	 	HA :: 3.835	
	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 :: 119.958	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.Q46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.28   Q 0.24   M 0.18   E 0.14   K 0.12   

	HN Overlap>>	 1.Q6 1.Q6

	C Shift Assignments>> 	C :: 173.755	 	CA :: 53.279	 	CB :: 30.158	
	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 :: 7.840	 	HA :: 3.971	
	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 :: 121.545	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.K47	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Unknown 	N Shifts: Consistent

	PRTL>>	L 0.36   R 0.28   Q 0.22   E 0.06   M 0.03   P 0.01   

	C Shift Assignments>> 	CA :: 53.251	 	CB :: 27.787	
	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 :: 8.184	 	HA :: 3.971	 	HB2 :: 1.498	 	HB3 :: 1.498	 	HD2 :: 1.446	 	HD3 :: 1.446	
			 	HE2 :: 2.872	 	HE3 :: 2.872	 	HZ1 :: 1.320(U)	 	HZ2 :: 1.320(U)	 	HZ3 :: 1.320(U)	
	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 :: 123.848	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.Q48	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.K49	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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

	PRTL>>	Q 0.31   R 0.27   E 0.18   M 0.13   K 0.05   L 0.01   

	C Shift Assignments>> 	C :: 174.479	 	CA :: 53.949	 	CB :: 29.617	
	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)



1.A51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.74   M 0.25   

	C Shift Assignments>> 	C :: 175.324	 	CA :: 50.431	 	CB :: 15.771	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.918	 	HA :: 3.889	 	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 :: 124.372	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.N52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.57   M 0.21   P 0.06   E 0.04   Q 0.04   K 0.03   

	C Shift Assignments>> 	C :: 172.921	 	CA :: 50.392	 	CB :: 35.655	
	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 :: 7.952	 	HA :: 4.357	 	HB2 :: 2.462	 	HB3 :: 2.535	
	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 :: 117.219	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.E53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.44   K 0.26   R 0.19   Q 0.07   E 0.01   I 0.01   

	C Shift Assignments>> 	C :: 174.343	 	CA :: 54.628	 	CB :: 25.773	
	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 :: 8.248	 	HA :: 3.819	 	HB2 :: 1.737	 	HB3 :: 1.812	 	HG2 :: 2.084	 	HG3 :: 2.084	
	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 :: 121.394	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.K54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.4   R 0.32   Q 0.18   E 0.05   I 0.01   M 0.01   

	C Shift Assignments>> 	C :: 174.315	 	CA :: 54.769	 	CB :: 27.214	
	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 :: 8.097	 	HA :: 3.825	 	HB2 :: 1.323	 	HD2 :: 2.197	 	HD3 :: 2.197	
	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 :: 121.727	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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


	C Shift Assignments>> 	C :: 173.480	
	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 :: 7.941	 	HA :: 3.910	 	HB2 :: 1.437	 	HB3 :: 1.490	 	HD2 :: 1.445	 	HD3 :: 1.445	
			 	HE2 :: 2.647	 	HE3 :: 2.647	
	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 :: 122.066	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	L 0.43   R 0.27   Q 0.14   K 0.06   E 0.03   P 0.02   M 0.01   

	C Shift Assignments>> 	C :: 173.213	 	CA :: 53.014	 	CB :: 27.270	
	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 :: 8.207	 	HA :: 3.971	 	HB2 :: 1.561	 	HB3 :: 1.678	 	HG2 :: 1.921	 	HG3 :: 1.921	
	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 :: 123.359	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.E57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.68   L 0.18   R 0.07   Q 0.02   K 0.01   

	C Shift Assignments>> 	CA :: 51.353	 	CB :: 26.514	
	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 :: 8.252	 	HA :: 4.232	 	HB2 :: 1.532	 	HB3 :: 1.700	 	HG2 :: 1.953	 	HG3 :: 2.018	
	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 :: 124.904	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	I 0.38   K 0.16   E 0.15   Q 0.11   R 0.1   V 0.04   M 0.01   

	C Shift Assignments>> 	C :: 173.151	 	CA :: 60.399	 	CB :: 28.948	
	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 :: 4.082	 	HB2 :: 1.617	 	HB3 :: 1.617	 	HG2 :: 1.969	 	HG3 :: 1.969	 	HD2 :: 3.382	
			 	HD3 :: 3.497	
	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.K59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.28   Q 0.21   M 0.19   E 0.18   K 0.11   

	C Shift Assignments>> 	CA :: 54.622	 	CB :: 30.553	
	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 :: 7.831	 	HA :: 3.822	 	HB2 :: 1.376	 	HB3 :: 1.508	 	HG2 :: 1.106	 	HG3 :: 1.106	
			 	HD2 :: 1.374	 	HD3 :: 1.374	
	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 :: 127.730	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)





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

Overall Results:

	      #Consistent:  57      #Clerical:   1      #Suspicious:   1      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  52      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   7


Shift Relative Order (SRO) Results:

	      #Consistent:  59      #Suspicious:   0


C Shift Results:

	      #Consistent: 149      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


H Shift Results:

	      #Consistent: 275      #Duplicate:   0      #Unknown:   3      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:  50      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.A34	CB = 25.372(S),	 Expected = 19.01, Std = 1.8300, ChiSquare = 5.0800e-04
1.K47	HZ1 = 1.320(U)
1.K47	HZ2 = 1.320(U)
1.K47	HZ3 = 1.320(U)