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


1.K1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.55   C 0.3   R 0.13   

	HN Overlap>>	 1.A35 1.A35

	C Shift Assignments>> 	C :: 174.545	 	CA :: 54.486	 	CB :: 32.598	 	CG :: 24.854	 	CD :: 28.872	 	CE :: 42.003	
	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 :: 8.437	 	HA :: 4.643	 	HB2 :: 1.838	 	HB3 :: 1.759	 	HG2 :: 1.508	 	HG3 :: 1.508	
			 	HD2 :: 1.719	 	HD3 :: 1.719	 	HE2 :: 3.032	 	HE3 :: 3.032	
	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 :: 124.720	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.P2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.76   C 0.23   

	C Shift Assignments>> 	C :: 176.996	 	CA :: 63.494	 	CB :: 32.161	 	CG :: 27.587	 	CD :: 50.905	
	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 :: 4.481	 	HB2 :: 2.298	 	HB3 :: 1.909	 	HG2 :: 2.042	 	HG3 :: 2.042	 	HD2 :: 3.880	
			 	HD3 :: 3.658	
	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.V3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.68   C 0.31   

	C Shift Assignments>> 	C :: 176.376	 	CA :: 62.495	 	CB :: 33.131	 	CG1 :: 21.150	
	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 :: 8.229	 	HA :: 4.120	 	HB :: 2.081	 	HG11 :: 0.967	 	HG12 :: 0.967	 	HG13 :: 0.967	
			 	HG21 :: 0.967	 	HG22 :: 0.967	 	HG23 :: 0.967	
	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 :: 120.619	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.S4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.577	 	CA :: 58.148	 	CB :: 63.870	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.285	 	HA :: 4.475	 	HB2 :: 3.852	 	HB3 :: 3.852	
	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 :: 119.138	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.L5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.44   K 0.23   C 0.22   R 0.08   

	C Shift Assignments>> 	C :: 177.341	 	CA :: 55.388	 	CB :: 42.650	 	CG :: 27.529	 	CD1 :: 25.329	
	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 :: 8.276	 	HA :: 4.381	 	HB2 :: 1.622	 	HB3 :: 1.539	 	HG :: 1.623	 	HD11 :: 0.928	
			 	HD12 :: 0.928	 	HD13 :: 0.928	 	HD21 :: 0.928	 	HD22 :: 0.928	 	HD23 :: 0.928	
	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 :: 124.775	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.189	 	CA :: 58.433	 	CB :: 63.870	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.139	 	HA :: 4.402	 	HB2 :: 3.802	 	HB3 :: 3.802	
	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 :: 115.939	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Y7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.63   C 0.36   

	C Shift Assignments>> 	C :: 175.520	 	CA :: 58.008	 	CB :: 38.956	 	CD1 :: 133.298	 	CE1 :: 118.337	
	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 :: 7.977	 	HA :: 4.565	 	HB2 :: 3.071	 	HB3 :: 2.933	 	HD1 :: 7.116	 	HD2 :: 7.116	
			 	HE1 :: 6.827	 	HE2 :: 6.827	
	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 :: 121.982	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.R8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.51   C 0.42   K 0.04   

	C Shift Assignments>> 	C :: 175.918	 	CA :: 56.428	 	CB :: 30.875	 	CG :: 27.118	 	CD :: 43.485	
	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 :: 8.140	 	HA :: 4.312	 	HB2 :: 1.804	 	HB3 :: 1.712	 	HG2 :: 1.546	 	HG3 :: 1.546	
			 	HD2 :: 3.170	 	HD3 :: 3.170	
	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 :: 122.200	
	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.C9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.33   N 0.31   L 0.13   F 0.07   C 0.06   Y 0.06   K 0.01   

	HN Overlap>>	 1.Y61 1.Y61

	C Shift Assignments>> 	C :: 173.615	 	CA :: 53.127	 	CB :: 40.218	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.095	 	HA :: 4.972	 	HB2 :: 2.728	 	HB3 :: 3.254	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 120.940	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.P10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.81   C 0.18   

	C Shift Assignments>> 	C :: 177.703	 	CA :: 64.859	 	CB :: 32.508	 	CG :: 27.682	 	CD :: 51.278	
	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 :: 4.342	 	HB2 :: 2.305	 	HB3 :: 1.879	 	HG2 :: 2.050	 	HG3 :: 2.050	 	HD2 :: 3.874	
			 	HD3 :: 3.874	
	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.C11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.34   D 0.27   F 0.1   L 0.1   Y 0.09   C 0.08   

	C Shift Assignments>> 	C :: 174.202	 	CA :: 53.839	 	CB :: 39.603	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.261	 	HA :: 4.853	 	HB2 :: 2.923	 	HB3 :: 2.817	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 114.145	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.R12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.48   C 0.45   K 0.06   

	C Shift Assignments>> 	C :: 175.202	 	CA :: 57.293	 	CB :: 31.098	 	CG :: 26.897	 	CD :: 43.350	
	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 :: 8.243	 	HA :: 4.030	 	HB2 :: 1.572	 	HB3 :: 1.542	 	HG2 :: 1.314	 	HG3 :: 1.223	
			 	HD2 :: 3.006	 	HD3 :: 3.006	
	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 :: 122.266	
	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.F13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.51   F 0.32   C 0.16   

	C Shift Assignments>> 	C :: 174.226	 	CA :: 55.971	 	CB :: 41.059	 	CD1 :: 132.275	 	CE1 :: 132.754	 	CZ :: 129.771	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 7.526	 	HA :: 4.547	 	HB2 :: 3.117	 	HB3 :: 2.839	 	HD1 :: 7.201	 	HD2 :: 7.201	
			 	HE1 :: 7.322	 	HE2 :: 7.322	 	HZ :: 7.308	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 116.037	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.F14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.45   Y 0.39   C 0.14   

	C Shift Assignments>> 	C :: 175.247	 	CA :: 55.800	 	CB :: 41.220	 	CD1 :: 132.047	 	CE1 :: 131.530	 	CZ :: 130.151	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 8.301	 	HA :: 4.839	 	HB2 :: 2.785	 	HB3 :: 2.832	 	HD1 :: 7.016	 	HD2 :: 7.016	
			 	HE1 :: 7.316	 	HE2 :: 7.316	 	HZ :: 7.253	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 119.899	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.E15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.47   C 0.43   Q 0.04   K 0.02   I 0.01   

	C Shift Assignments>> 	C :: 176.747	 	CA :: 56.012	 	CB :: 31.042	 	CG :: 36.376	
	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 :: 8.898	 	HA :: 4.579	 	HB2 :: 2.120	 	HB3 :: 2.003	 	HG2 :: 2.408	 	HG3 :: 2.286	
	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 :: 122.980	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.S16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.278	 	CA :: 59.799	 	CB :: 64.516	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.758	 	HA :: 4.761	 	HB2 :: 3.914	 	HB3 :: 3.732	
	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 :: 119.326	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.H17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.36   W 0.36   C 0.26   

	C Shift Assignments>> 	C :: 174.580	 	CA :: 56.240	 	CB :: 28.272	 	CD2 :: 119.956	 	CE1 :: 136.711	
	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 :: 9.042	 	HA :: 4.914	 	HB2 :: 3.410	 	HB3 :: 3.263	 	HD2 :: 7.363	 	HE1 :: 8.546	
	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 :: 120.435	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.V18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.59   C 0.4   

	C Shift Assignments>> 	C :: 174.138	 	CA :: 61.605	 	CB :: 34.102	 	CG1 :: 21.812	
	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 :: 7.180	 	HA :: 4.248	 	HB :: 1.989	 	HG11 :: 0.945	 	HG12 :: 0.945	 	HG13 :: 0.945	
			 	HG21 :: 0.945	 	HG22 :: 0.945	 	HG23 :: 0.945	
	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 :: 119.564	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.A19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.97   C 0.01   

	C Shift Assignments>> 	C :: 177.514	 	CA :: 50.666	 	CB :: 19.660	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.567	 	HA :: 4.403	 	HB1 :: 1.342	 	HB2 :: 1.342	 	HB3 :: 1.342	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 131.408	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.R20	Overall: Suspicious 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.53   R 0.39   K 0.04   L 0.02   

	C Shift Assignments>> 	C :: 178.531	 	CA :: 59.389	 	CB :: 29.167	 	CG :: 26.600	 	CD :: 43.800	
	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 :: 7.785	 	HA :: 2.645(S)	 	HB2 :: 0.364(S)	 	HB3 :: 1.060	 	HG2 :: 1.114	 	HG3 :: 0.875	
			 	HD2 :: 2.732	 	HD3 :: 2.732	
	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 :: 124.309	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)

	SRO Rule Breaks>>  	(HA > HD2 : 0.9912)


1.A21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.94   C 0.03   

	C Shift Assignments>> 	C :: 177.743	 	CA :: 53.809	 	CB :: 18.884	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.187	 	HA :: 4.055	 	HB1 :: 1.298	 	HB2 :: 1.298	 	HB3 :: 1.298	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 117.587	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	D 0.34   N 0.33   L 0.12   F 0.06   C 0.06   Y 0.04   K 0.01   

	C Shift Assignments>> 	C :: 174.889	 	CA :: 52.590	 	CB :: 40.335	
	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 :: 7.732	 	HA :: 4.972	 	HB2 :: 3.122	 	HB3 :: 2.716	 	HD21 :: 7.709	 	HD22 :: 7.082	
	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 :: 112.657	 	ND2 :: 112.095	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.V23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.74   C 0.25   

	C Shift Assignments>> 	C :: 174.594	 	CA :: 63.226	 	CB :: 33.445	 	CG1 :: 21.924	
	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 :: 7.504	 	HA :: 4.225	 	HB :: 2.125	 	HG11 :: 0.925	 	HG12 :: 0.925	 	HG13 :: 0.925	
			 	HG21 :: 0.925	 	HG22 :: 0.925	 	HG23 :: 0.925	
	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 :: 119.899	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.K24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.43   K 0.37   R 0.18   

	C Shift Assignments>> 	C :: 175.247	 	CA :: 57.300	 	CB :: 34.749	 	CG :: 25.042	 	CD :: 29.834	 	CE :: 42.493	
	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 :: 9.311	 	HA :: 4.386	 	HB2 :: 1.679	 	HB3 :: 1.564	 	HG2 :: 1.343	 	HG3 :: 1.343	
			 	HD2 :: 1.719	 	HD3 :: 1.644	 	HE2 :: 2.994	 	HE3 :: 2.952	
	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 :: 126.485	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.R25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   R 0.42   K 0.07   

	C Shift Assignments>> 	CA :: 55.781	 	CB :: 33.455	 	CG :: 26.984	 	CD :: 43.485	
	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 :: 7.574	 	HA :: 4.550	 	HB2 :: 1.887	 	HB3 :: 1.826	 	HG2 :: 1.597	 	HD2 :: 3.251	
			 	HD3 :: 3.251	
	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 :: 115.858	
	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.L26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   L 0.48   

	HN Overlap>>	 1.I51 1.I51

	C Shift Assignments>> 	C :: 175.514	 	CA :: 54.486	 	CB :: 46.074	 	CG :: 26.984	 	CD1 :: 25.455	 	CD2 :: 26.013	
	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 :: 8.575	 	HA :: 5.226	 	HB2 :: 1.529	 	HB3 :: 1.338	 	HG :: 1.475	 	HD11 :: 0.694	
			 	HD12 :: 0.694	 	HD13 :: 0.694	 	HD21 :: 0.591	 	HD22 :: 0.591	 	HD23 :: 0.591	
	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 :: 122.612	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.K27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   K 0.24   R 0.22   

	C Shift Assignments>> 	C :: 173.758	 	CA :: 55.800	 	CB :: 36.800	 	CG :: 25.035	 	CD :: 29.572	 	CE :: 42.230	
	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 :: 9.153	 	HA :: 4.590	 	HB2 :: 1.650	 	HB3 :: 1.718	 	HG2 :: 1.314	 	HG3 :: 1.253	
			 	HD2 :: 1.607	 	HD3 :: 1.607	 	HE2 :: 2.891	 	HE3 :: 2.891	
	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 :: 122.622	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.I28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.59   C 0.4   

	C Shift Assignments>> 	C :: 175.988	 	CA :: 60.200	 	CB :: 38.632	 	CG1 :: 28.364	 	CG2 :: 18.166	 	CD1 :: 13.809	
	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 :: 8.546	 	HA :: 4.683	 	HB :: 1.788	 	HG12 :: 1.560	 	HG13 :: 1.103	 	HG21 :: 0.834	
			 	HG22 :: 0.834	 	HG23 :: 0.834	 	HD11 :: 0.824	 	HD12 :: 0.824	 	HD13 :: 0.824	
	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 :: 123.610	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.L29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.69   C 0.25   K 0.02   A 0.01   R 0.01   

	C Shift Assignments>> 	C :: 176.005	 	CA :: 54.400	 	CB :: 43.800	 	CG :: 26.984	 	CD1 :: 24.072	
	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 :: 8.953	 	HA :: 4.566	 	HB2 :: 1.574	 	HB3 :: 1.574	 	HG :: 1.549	 	HD11 :: 0.805	
			 	HD12 :: 0.805	 	HD13 :: 0.805	 	HD21 :: 0.805	 	HD22 :: 0.805	 	HD23 :: 0.805	
	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 :: 128.891	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.N30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.54   D 0.21   C 0.07   L 0.05   F 0.05   Y 0.05   

	C Shift Assignments>> 	C :: 174.462	 	CA :: 52.413	 	CB :: 39.232	
	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 :: 8.709	 	HA :: 5.019	 	HB2 :: 2.792	 	HB3 :: 2.487	 	HD21 :: 7.477	 	HD22 :: 6.619	
	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 :: 123.796	 	ND2 :: 111.117	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	T 0.72   C 0.27   

	C Shift Assignments>> 	CA :: 59.633	 	CB :: 70.459	 	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 :: 8.171	 	HA :: 4.680	 	HB :: 4.021	 	HG21 :: 1.274	 	HG22 :: 1.274	 	HG23 :: 1.274	
	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 :: 119.128	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.8   C 0.19   

	C Shift Assignments>> 	C :: 176.814	 	CA :: 64.445	 	CB :: 32.170	 	CG :: 27.757	 	CD :: 51.346	
	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 :: 4.257	 	HB2 :: 2.282	 	HB3 :: 1.827	 	HG2 :: 2.067	 	HG3 :: 1.963	 	HD2 :: 3.709	
			 	HD3 :: 3.867	
	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.N33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.31   C 0.16   Y 0.16   F 0.13   D 0.1   E 0.05   L 0.03   I 0.01   

	C Shift Assignments>> 	C :: 174.344	 	CA :: 54.945	 	CB :: 38.122	
	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 :: 8.522	 	HA :: 4.404	 	HB2 :: 2.754	 	HB3 :: 2.798	 	HD21 :: 7.266	 	HD22 :: 6.874	
	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 :: 112.878	 	ND2 :: 113.756	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.C34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.56   R 0.18   C 0.1   D 0.07   F 0.04   Y 0.02   

	C Shift Assignments>> 	C :: 173.880	 	CA :: 54.810	 	CB :: 44.780	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.570	 	HA :: 4.912	 	HB2 :: 3.181	 	HB3 :: 2.938	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 116.393	
	Ave N Shift Values>> 	N :: 120.17(4.64)



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

	PRTL>>	A 0.97   C 0.01   

	HN Overlap>>	 1.K1 1.K1

	C Shift Assignments>> 	C :: 176.677	 	CA :: 52.413	 	CB :: 19.214	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.438	 	HA :: 4.269	 	HB1 :: 1.448	 	HB2 :: 1.448	 	HB3 :: 1.448	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 124.720	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.L36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.5   C 0.35   R 0.13   

	HN Overlap>>	 1.A65 1.Y61 1.A65 1.Y61

	C Shift Assignments>> 	C :: 176.194	 	CA :: 56.751	 	CB :: 42.838	 	CG :: 27.534	 	CD1 :: 25.310	 	CD2 :: 25.366	
	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 :: 8.017	 	HA :: 4.267	 	HB2 :: 1.463	 	HB3 :: 1.602	 	HG :: 1.575	 	HD11 :: 0.855	
			 	HD12 :: 0.855	 	HD13 :: 0.855	 	HD21 :: 0.805	 	HD22 :: 0.805	 	HD23 :: 0.805	
	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 :: 120.838	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.Q37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.61   Q 0.27   E 0.09   

	C Shift Assignments>> 	C :: 173.581	 	CA :: 54.400	 	CB :: 32.461	 	CG :: 34.102	
	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 :: 8.416	 	HA :: 4.665	 	HB2 :: 2.137	 	HB3 :: 2.050	 	HG2 :: 2.462	 	HG3 :: 2.404	
			 	HE21 :: 7.264	 	HE22 :: 6.595	
	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 :: 122.684	 	NE2 :: 110.257	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.I38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.62   C 0.37   

	C Shift Assignments>> 	C :: 174.547	 	CA :: 60.700	 	CB :: 38.899	 	CG1 :: 27.584	 	CG2 :: 18.769	 	CD1 :: 14.347	
	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 :: 9.378	 	HA :: 4.746	 	HB :: 1.861	 	HG12 :: 1.463	 	HG13 :: 0.983	 	HG21 :: 0.708	
			 	HG22 :: 0.708	 	HG23 :: 0.708	 	HD11 :: 0.724	 	HD12 :: 0.724	 	HD13 :: 0.724	
	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 :: 124.524	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.V39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.59   V 0.38   I 0.01   

	C Shift Assignments>> 	C :: 174.772	 	CA :: 60.111	 	CB :: 34.767	 	CG1 :: 20.789	
	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 :: 8.871	 	HA :: 5.080	 	HB :: 1.904	 	HG11 :: 0.871	 	HG12 :: 0.871	 	HG13 :: 0.871	
			 	HG21 :: 0.871	 	HG22 :: 0.871	 	HG23 :: 0.871	
	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 :: 124.272	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.A40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.41   C 0.21   P 0.2   A 0.08   K 0.07   

	C Shift Assignments>> 	C :: 175.955	 	CA :: 50.093	 	CB :: 24.063	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 9.245	 	HA :: 5.356	 	HB1 :: 1.320	 	HB2 :: 1.320	 	HB3 :: 1.320	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.037	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.R41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.54   C 0.33   K 0.12   

	C Shift Assignments>> 	C :: 176.184	 	CA :: 53.900	 	CB :: 32.306	 	CG :: 27.307	 	CD :: 43.136	
	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 :: 8.336	 	HA :: 5.137	 	HB2 :: 1.703	 	HB3 :: 1.666	 	HG2 :: 1.560	 	HG3 :: 1.612	
			 	HD2 :: 3.089	 	HD3 :: 3.089	
	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 :: 118.987	
	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.L42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.65   C 0.23   A 0.05   R 0.04   

	C Shift Assignments>> 	C :: 178.369	 	CA :: 54.329	 	CB :: 41.699	 	CG :: 27.111	 	CD1 :: 26.006	 	CD2 :: 23.029	
	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 :: 9.066	 	HA :: 5.008	 	HB2 :: 1.789	 	HB3 :: 2.226	 	HG :: 1.848	 	HD11 :: 1.030	
			 	HD12 :: 1.030	 	HD13 :: 1.030	 	HD21 :: 0.796	 	HD22 :: 0.796	 	HD23 :: 0.796	
	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 :: 126.217	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.K43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.48   R 0.34   K 0.17   

	C Shift Assignments>> 	CA :: 59.340	 	CB :: 33.445	 	CG :: 26.938	 	CD :: 29.883	 	CE :: 42.327	
	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 :: 8.498	 	HA :: 3.903	 	HB2 :: 1.906	 	HB3 :: 1.721	 	HG2 :: 1.316	 	HG3 :: 1.230	
			 	HD2 :: 1.749	 	HD3 :: 1.749	 	HE2 :: 2.971	 	HE3 :: 2.856	
	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 :: 120.063	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.22   N 0.2   Y 0.17   E 0.15   F 0.13   D 0.04   I 0.02   L 0.01   K 0.01   

	C Shift Assignments>> 	C :: 175.970	 	CA :: 55.457	 	CB :: 37.507	
	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 :: 8.677	 	HA :: 4.493	 	HB2 :: 2.974	 	HB3 :: 2.865	 	HD21 :: 7.595	 	HD22 :: 6.796	
	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 :: 115.147	 	ND2 :: 112.400	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.N45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.51   D 0.21   C 0.07   F 0.06   L 0.06   Y 0.05   

	C Shift Assignments>> 	C :: 175.461	 	CA :: 52.769	 	CB :: 39.203	
	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 :: 7.641	 	HA :: 4.712	 	HB2 :: 3.005	 	HB3 :: 2.781	 	HD21 :: 7.458	 	HD22 :: 6.526	
	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 :: 115.591	 	ND2 :: 109.979	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.N46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.32   D 0.2   Y 0.13   F 0.13   C 0.1   L 0.07   I 0.01   

	C Shift Assignments>> 	C :: 174.812	 	CA :: 54.491	 	CB :: 39.092	
	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 :: 7.977	 	HA :: 4.713	 	HB2 :: 3.140	 	HB3 :: 2.709	 	HD21 :: 7.567	 	HD22 :: 6.871	
	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 :: 116.559	 	ND2 :: 113.088	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.R47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.47   R 0.45   K 0.06   

	C Shift Assignments>> 	C :: 175.719	 	CA :: 57.084	 	CB :: 31.785	 	CG :: 27.766	 	CD :: 43.818	
	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 :: 7.895	 	HA :: 4.269	 	HB2 :: 1.729	 	HB3 :: 1.770	 	HG2 :: 1.580	 	HG3 :: 1.630	
			 	HD2 :: 3.221	 	HD3 :: 3.149	
	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 :: 119.890	
	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.Q48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.38   C 0.36   Q 0.18   K 0.06   

	C Shift Assignments>> 	C :: 175.697	 	CA :: 55.454	 	CB :: 30.953	 	CG :: 35.396	
	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 :: 8.612	 	HA :: 5.299	 	HB2 :: 1.995	 	HB3 :: 1.873	 	HG2 :: 2.119	 	HG3 :: 2.209	
			 	HE21 :: 7.476	 	HE22 :: 6.820	
	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 :: 123.239	 	NE2 :: 111.657	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.V49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.83   V 0.15   

	C Shift Assignments>> 	C :: 174.561	 	CA :: 59.266	 	CB :: 35.845	 	CG1 :: 21.789	 	CG2 :: 18.876	
	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 :: 9.018	 	HA :: 4.812	 	HB :: 2.203	 	HG11 :: 0.932	 	HG12 :: 0.932	 	HG13 :: 0.932	
			 	HG21 :: 0.835	 	HG22 :: 0.835	 	HG23 :: 0.835	
	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 :: 119.411	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.C50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.44   R 0.25   C 0.13   F 0.07   Y 0.04   D 0.04   

	C Shift Assignments>> 	C :: 174.469	 	CA :: 56.751	 	CB :: 44.694	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.855	 	HA :: 5.607	 	HB2 :: 3.733	 	HB3 :: 3.035	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 120.824	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.I51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.58   C 0.41   

	HN Overlap>>	 1.L26 1.L26

	C Shift Assignments>> 	C :: 174.137	 	CA :: 59.671	 	CB :: 39.926	 	CG1 :: 27.630	 	CG2 :: 18.290	 	CD1 :: 13.146	
	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 :: 8.632	 	HA :: 4.571	 	HB :: 1.547	 	HG12 :: 1.294	 	HG13 :: 1.104	 	HG21 :: 0.730	
			 	HG22 :: 0.730	 	HG23 :: 0.730	 	HD11 :: 0.691	 	HD12 :: 0.691	 	HD13 :: 0.691	
	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 :: 122.518	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.D52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.34   L 0.28   R 0.09   N 0.09   K 0.07   C 0.05   F 0.03   Y 0.02   

	HN Overlap>>	 1.K68 1.K68

	C Shift Assignments>> 	CA :: 51.578	 	CB :: 42.384	
	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 :: 7.716	 	HA :: 3.704	 	HB2 :: 2.261	 	HB3 :: 2.689	
	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 :: 126.322	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.P53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.76   C 0.22   

	C Shift Assignments>> 	C :: 176.274	 	CA :: 63.546	 	CB :: 32.272	 	CG :: 27.303	 	CD :: 50.927	
	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 :: 4.046	 	HB2 :: 1.979	 	HB3 :: 1.832	 	HG2 :: 1.785	 	HG3 :: 1.841	 	HD2 :: 3.371	
			 	HD3 :: 3.678	
	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.K54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.47   C 0.41   R 0.11   

	C Shift Assignments>> 	C :: 177.867	 	CA :: 56.428	 	CB :: 31.680	 	CG :: 25.035	 	CD :: 28.756	 	CE :: 41.473	
	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 :: 8.043	 	HA :: 4.012	 	HB2 :: 1.741	 	HB3 :: 1.741	 	HG2 :: 1.334	 	HG3 :: 1.334	
			 	HD2 :: 1.668	 	HD3 :: 1.668	 	HE2 :: 3.000	 	HE3 :: 3.000	
	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 :: 114.968	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.L55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.61   C 0.31   R 0.05   A 0.01   

	C Shift Assignments>> 	C :: 179.221	 	CA :: 55.781	 	CB :: 41.739	 	CG :: 27.180	 	CD1 :: 25.690	 	CD2 :: 23.386	
	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 :: 7.195	 	HA :: 4.069	 	HB2 :: 1.068	 	HB3 :: 1.281	 	HG :: 1.818	 	HD11 :: 1.070	
			 	HD12 :: 1.070	 	HD13 :: 1.070	 	HD21 :: 1.035	 	HD22 :: 1.035	 	HD23 :: 1.035	
	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 :: 120.866	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.K56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.47   K 0.41   R 0.1   

	C Shift Assignments>> 	C :: 179.161	 	CA :: 60.318	 	CB :: 32.100	 	CG :: 25.042	 	CD :: 29.092	 	CE :: 42.327	
	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 :: 8.773	 	HA :: 3.951	 	HB2 :: 2.023	 	HB3 :: 2.023	 	HG2 :: 1.608	 	HG3 :: 1.548	
			 	HD2 :: 1.792	 	HD3 :: 1.792	 	HE2 :: 3.086	 	HE3 :: 3.086	
	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 :: 125.505	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.W57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.53   C 0.46   

	C Shift Assignments>> 	C :: 178.642	 	CA :: 58.693	 	CB :: 27.954	 	CD1 :: 128.405	 	CE3 :: 121.713	 	CZ2 :: 113.720	
			 	CZ3 :: 121.013	 	CH2 :: 124.024	
	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 :: 7.869	 	HA :: 4.663	 	HB2 :: 3.654	 	HB3 :: 3.316	 	HD1 :: 7.696	 	HE1 :: 10.316	
			 	HE3 :: 6.624	 	HZ2 :: 6.986	 	HZ3 :: 7.370	 	HH2 :: 6.688	
	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 :: 113.648	 	NE1 :: 130.632	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.I58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.62   C 0.37   

	C Shift Assignments>> 	C :: 177.104	 	CA :: 61.928	 	CB :: 36.043	 	CG1 :: 27.624	 	CG2 :: 17.769	 	CD1 :: 11.957	
	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 :: 6.333	 	HA :: 3.625	 	HB :: 1.378	 	HG12 :: 0.595	 	HG13 :: -0.020	 	HG21 :: 0.603	
			 	HG22 :: 0.603	 	HG23 :: 0.603	 	HD11 :: 0.152	 	HD12 :: 0.152	 	HD13 :: 0.152	
	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 :: 123.496	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.Q59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.4   Q 0.2   K 0.18   R 0.06   E 0.06   I 0.06   

	C Shift Assignments>> 	C :: 178.933	 	CA :: 59.663	 	CB :: 27.972	 	CG :: 34.102	
	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 :: 7.653	 	HA :: 3.865	 	HB2 :: 2.204	 	HB3 :: 2.204	 	HG2 :: 2.446	 	HG3 :: 2.372	
			 	HE21 :: 7.555	 	HE22 :: 6.746	
	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 :: 120.493	 	NE2 :: 112.913	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.E60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.41   E 0.36   I 0.16   K 0.03   Q 0.01   

	C Shift Assignments>> 	C :: 178.539	 	CA :: 59.340	 	CB :: 29.896	 	CG :: 36.691	
	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 :: 8.078	 	HA :: 4.128	 	HB2 :: 2.244	 	HB3 :: 2.137	 	HG2 :: 2.487	 	HG3 :: 2.301	
	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 :: 118.009	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Y61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.67   C 0.32   

	HN Overlap>>	 1.L36 1.A65 1.L36 1.A65 1.C9 1.C9

	C Shift Assignments>> 	C :: 178.157	 	CA :: 61.605	 	CB :: 38.956	 	CD1 :: 132.955	 	CE1 :: 118.332	
	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 :: 8.040	 	HA :: 4.257	 	HB2 :: 3.400	 	HB3 :: 3.312	 	HD1 :: 7.117	 	HD2 :: 7.117	
			 	HE1 :: 6.828	 	HE2 :: 6.828	
	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 :: 120.927	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	C 0.46   L 0.45   R 0.08   

	C Shift Assignments>> 	C :: 178.678	 	CA :: 58.040	 	CB :: 42.036	 	CG :: 26.984	 	CD1 :: 23.237	 	CD2 :: 25.887	
	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 :: 8.497	 	HA :: 3.926	 	HB2 :: 1.973	 	HB3 :: 1.464	 	HG :: 1.964	 	HD11 :: 0.841	
			 	HD12 :: 0.841	 	HD13 :: 0.841	 	HD21 :: 0.824	 	HD22 :: 0.824	 	HD23 :: 0.824	
	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 :: 118.747	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   E 0.36   I 0.16   K 0.05   Q 0.02   

	C Shift Assignments>> 	C :: 178.447	 	CA :: 59.340	 	CB :: 29.721	 	CG :: 36.502	
	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 :: 7.927	 	HA :: 4.044	 	HB2 :: 2.203	 	HB3 :: 2.125	 	HG2 :: 2.449	 	HG3 :: 2.336	
	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 :: 118.201	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	C 0.4   K 0.38   R 0.2   

	C Shift Assignments>> 	C :: 177.941	 	CA :: 58.046	 	CB :: 32.620	 	CG :: 25.690	 	CD :: 29.243	 	CE :: 42.340	
	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 :: 7.672	 	HA :: 4.204	 	HB2 :: 1.884	 	HB3 :: 1.884	 	HG2 :: 1.489	 	HG3 :: 1.597	
			 	HD2 :: 1.709	 	HD3 :: 1.709	 	HE2 :: 3.000	 	HE3 :: 3.000	
	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 :: 117.493	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.A65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.92   C 0.04   L 0.01   I 0.01   

	HN Overlap>>	 1.L36 1.L36 1.Y61 1.Y61

	C Shift Assignments>> 	C :: 178.624	 	CA :: 54.160	 	CB :: 19.082	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.994	 	HA :: 4.135	 	HB1 :: 1.253	 	HB2 :: 1.253	 	HB3 :: 1.253	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.861	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.L66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.52   C 0.28   K 0.18   

	C Shift Assignments>> 	CA :: 55.900	 	CB :: 42.500	 	CG :: 27.178	 	CD1 :: 23.740	
	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 :: 7.801	 	HA :: 4.352	 	HB2 :: 1.779	 	HB3 :: 1.683	 	HG :: 1.788	 	HD11 :: 0.850	
			 	HD12 :: 0.850	 	HD13 :: 0.850	 	HD21 :: 0.850	 	HD22 :: 0.850	 	HD23 :: 0.850	
	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 :: 115.905	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.N67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.33   N 0.28   L 0.14   F 0.08   Y 0.06   C 0.06   K 0.01   

	C Shift Assignments>> 	C :: 174.039	 	CA :: 53.434	 	CB :: 40.250	
	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 :: 7.766	 	HA :: 4.892	 	HB2 :: 2.943	 	HB3 :: 2.807	 	HD21 :: 7.712	 	HD22 :: 7.074	
	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 :: 118.066	 	ND2 :: 113.408	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.K68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.44   C 0.44   R 0.1   

	HN Overlap>>	 1.D52 1.D52

	C Shift Assignments>> 	C :: 181.391	 	CA :: 57.899	 	CB :: 33.781	 	CG :: 24.819	 	CD :: 29.243	 	CE :: 42.327	
	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 :: 7.654	 	HA :: 4.190	 	HB2 :: 1.881	 	HB3 :: 1.787	 	HG2 :: 1.442	 	HG3 :: 1.442	
			 	HD2 :: 1.727	 	HD3 :: 1.727	 	HE2 :: 3.033	 	HE3 :: 3.033	
	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 :: 126.322	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)





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

Overall Results:

	      #Consistent:  67      #Clerical:   0      #Suspicious:   1      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  68      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:  67      #Suspicious:   1


C Shift Results:

	      #Consistent: 306      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 527      #Duplicate:   0      #Unknown:   0      #Suspicious:   2      #Anomalous:   0


N Shift Results:

	      #Consistent:  75      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.R20	HA = 2.645(S),	 Expected =  4.30, Std = 0.4600, ChiSquare = 3.2089e-04
1.R20	HB2 = 0.364(S),	 Expected =  1.79, Std = 0.2700, ChiSquare = 1.2814e-07
1.R20	SRO Rule Break>>  HA > HD2 : 0.991153846153846