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


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




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




1.M3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	M 0.23   K 0.21   C 0.2   Q 0.16   R 0.09   E 0.05   V 0.01   

	C Shift Assignments>> 	C :: 176.237	 	CA :: 55.636	 	CB :: 32.919	
	Ave C Shift Values>> 	C :: 176.3(2.13) 	CA :: 56.16(2.34) 	CB :: 32.9(2.23) 	CG :: 32.07(1.45) 	CE :: 17.21(3.42)

	H Shift Assignments>> 	HA :: 4.443	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.39(0.46) 	HB2 :: 2.03(0.38) 	HB3 :: 2.01(0.36) 	HG2 :: 2.44(0.36) 	HG3 :: 2.41(0.4)
			 	HE :: 1.86(0.47)



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

	PRTL>>	S 0.99   

	HN Overlap>>	 1.Y52 1.Y52

	C Shift Assignments>> 	C :: 174.836	 	CA :: 58.467	 	CB :: 63.997	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.158	 	HA :: 4.396	 	HB2 :: 3.824	 	HB3 :: 3.824	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 116.547	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.73   L 0.1   C 0.08   R 0.04   

	C Shift Assignments>> 	C :: 173.781	 	CA :: 45.170	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.251	 	HA2 :: 3.918	 	HA3 :: 3.918	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.705	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.E6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.2   C 0.19   R 0.18   K 0.15   E 0.13   M 0.1   L 0.01   

	HN Overlap>>	 1.V12 1.E105 1.V12 1.E105

	C Shift Assignments>> 	C :: 174.894	 	CA :: 54.437	 	CB :: 29.763	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.076	 	HA :: 4.553	 	HB2 :: 2.210	 	HB3 :: 2.210	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 121.496	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.P7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.44   V 0.39   C 0.08   I 0.06   

	C Shift Assignments>> 	C :: 177.697	 	CA :: 63.712	 	CB :: 31.984	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.358	 	HB2 :: 2.246	 	HB3 :: 1.898	 	HD2 :: 3.663	 	HD3 :: 3.663	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.G8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.78   L 0.08   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 174.309	 	CA :: 45.375	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.395	 	HA2 :: 3.904	 	HA3 :: 3.904	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.997	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.Q9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.39   C 0.38   E 0.21   

	C Shift Assignments>> 	C :: 176.283	 	CA :: 55.956	 	CB :: 29.589	 	CG :: 33.831	 	CD :: 180.505	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 8.056	 	HA :: 4.386	 	HB2 :: 1.960	 	HB3 :: 2.101	 	HG2 :: 2.310	 	HG3 :: 2.310	
			 	HE21 :: 6.742	 	HE22 :: 7.435	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 119.677	 	NE2 :: 112.176	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.T10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.93   C 0.06   

	C Shift Assignments>> 	C :: 174.464	 	CA :: 61.969	 	CB :: 69.960	 	CG2 :: 21.544	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.139	 	HA :: 4.336	 	HB :: 4.178	 	HG21 :: 1.147	 	HG22 :: 1.147	 	HG23 :: 1.147	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 115.234	
	Ave N Shift Values>> 	N :: 115.7(5.05)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.202	 	CA :: 58.237	 	CB :: 64.008	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.226	 	HA :: 4.474	 	HB2 :: 3.803	 	HB3 :: 3.803	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 118.386	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.V12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.43   P 0.23   C 0.18   K 0.03   I 0.03   R 0.02   M 0.02   Q 0.01   E 0.01   

	HN Overlap>>	 1.E6 1.E6 1.E105 1.E105

	C Shift Assignments>> 	C :: 175.391	 	CA :: 61.921	 	CB :: 32.956	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.024	 	HA :: 4.104	 	HB :: 2.019	 	HG11 :: 0.866	 	HG12 :: 0.866	 	HG13 :: 0.866	
			 	HG21 :: 0.866	 	HG22 :: 0.866	 	HG23 :: 0.866	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 121.497	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.A13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.87   M 0.1   C 0.01   

	C Shift Assignments>> 	C :: 174.778	 	CA :: 50.374	 	CB :: 18.322	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.196	 	HA :: 4.559	 	HB1 :: 1.285	 	HB2 :: 1.285	 	HB3 :: 1.285	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 129.230	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.P14	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P15	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.75   C 0.16   R 0.04   K 0.01   I 0.01   

	C Shift Assignments>> 	C :: 177.085	 	CA :: 63.290	 	CB :: 32.037	 	CG :: 27.347	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.343	 	HB2 :: 1.877	 	HB3 :: 2.246	 	HG2 :: 1.986	 	HG3 :: 1.986	 	HD2 :: 3.609	
			 	HD3 :: 3.764	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.E17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.35   M 0.09   K 0.07   I 0.05   Q 0.04   

	C Shift Assignments>> 	C :: 176.476	 	CA :: 56.817	 	CB :: 30.251	 	CG :: 36.365	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.385	 	HA :: 4.196	 	HB2 :: 1.983	 	HB3 :: 1.878	 	HG2 :: 2.219	 	HG3 :: 2.219	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 120.108	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.E18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.36   C 0.35   M 0.12   K 0.06   Q 0.04   I 0.03   

	C Shift Assignments>> 	C :: 176.090	 	CA :: 56.380	 	CB :: 30.495	 	CG :: 36.262	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.234	 	HA :: 4.298	 	HB2 :: 1.851	 	HB3 :: 1.995	 	HG2 :: 2.185	 	HG3 :: 2.185	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 121.656	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.V19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.67   C 0.32   

	C Shift Assignments>> 	C :: 176.065	 	CA :: 61.641	 	CB :: 33.163	 	CG1 :: 21.203	 	CG2 :: 20.203	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 7.964	 	HA :: 4.148	 	HB :: 2.039	 	HG11 :: 0.878	 	HG12 :: 0.878	 	HG13 :: 0.878	
			 	HG21 :: 0.878	 	HG22 :: 0.878	 	HG23 :: 0.878	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 120.534	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.E20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.19   C 0.19   R 0.18   K 0.14   E 0.14   M 0.1   L 0.01   

	C Shift Assignments>> 	C :: 174.889	 	CA :: 54.553	 	CB :: 29.922	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.535	 	HA :: 4.575	 	HB2 :: 1.819	 	HB3 :: 1.819	 	HG2 :: 2.210	 	HG3 :: 2.210	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 125.842	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.P21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.78   C 0.2   

	C Shift Assignments>> 	C :: 177.233	 	CA :: 64.321	 	CB :: 32.406	 	CG :: 27.647	 	CD :: 51.397	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.425	 	HB2 :: 2.028	 	HB3 :: 2.433	 	HG2 :: 2.162	 	HG3 :: 2.162	 	HD2 :: 3.611	
			 	HD3 :: 4.001	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.G22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.62   L 0.15   C 0.09   R 0.09   F 0.01   D 0.01   

	C Shift Assignments>> 	C :: 172.815	 	CA :: 44.869	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.950	 	HA2 :: 4.112	 	HA3 :: 3.262	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.876	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.S23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.684	 	CA :: 60.260	 	CB :: 63.481	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.819	 	HA :: 4.178	 	HB2 :: 3.866	 	HB3 :: 3.866	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 114.542	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	G 0.75   L 0.1   C 0.08   R 0.04   

	C Shift Assignments>> 	C :: 173.754	 	CA :: 45.225	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.723	 	HA2 :: 3.714	 	HA3 :: 4.150	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 113.846	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.V25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.72   C 0.27   

	C Shift Assignments>> 	C :: 174.005	 	CA :: 62.104	 	CB :: 32.206	 	CG1 :: 22.032	 	CG2 :: 22.032	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 7.907	 	HA :: 4.401	 	HB :: 2.070	 	HG11 :: 0.661	 	HG12 :: 0.661	 	HG13 :: 0.661	
			 	HG21 :: 0.661	 	HG22 :: 0.661	 	HG23 :: 0.661	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 121.485	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	C 0.35   R 0.35   K 0.19   G 0.08   

	C Shift Assignments>> 	C :: 174.974	 	CA :: 54.514	 	CB :: 32.634	 	CG :: 27.757	 	CD :: 43.365	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.391	 	HA :: 5.191	 	HB2 :: 1.648	 	HB3 :: 1.749	 	HG2 :: 1.327	 	HG3 :: 1.439	
			 	HD2 :: 3.078	 	HD3 :: 3.078	 	HE :: 7.117	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 127.799	 	NE :: 84.887	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



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

	PRTL>>	I 0.56   C 0.42   

	C Shift Assignments>> 	C :: 174.329	 	CA :: 59.141	 	CB :: 40.724	 	CG1 :: 28.215	 	CG2 :: 17.361	 	CD1 :: 14.743	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 9.097	 	HA :: 5.165	 	HB :: 1.704	 	HG12 :: 0.939	 	HG13 :: 0.939	 	HG21 :: 0.803	
			 	HG22 :: 0.803	 	HG23 :: 0.803	 	HD11 :: 0.690	 	HD12 :: 0.690	 	HD13 :: 0.690	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 125.848	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.V28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.54   C 0.45   

	C Shift Assignments>> 	C :: 175.343	 	CA :: 60.513	 	CB :: 34.725	 	CG1 :: 20.807	 	CG2 :: 21.169	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.867	 	HA :: 4.849	 	HB :: 1.787	 	HG11 :: 0.604	 	HG12 :: 0.604	 	HG13 :: 0.604	
			 	HG21 :: 0.753	 	HG22 :: 0.753	 	HG23 :: 0.753	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 126.805	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	V 0.58   C 0.41   

	C Shift Assignments>> 	C :: 173.878	 	CA :: 60.418	 	CB :: 32.393	 	CG1 :: 20.692	 	CG2 :: 20.463	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.522	 	HA :: 4.745	 	HB :: 1.900	 	HG11 :: 0.245	 	HG12 :: 0.245	 	HG13 :: 0.245	
			 	HG21 :: 0.857	 	HG22 :: 0.857	 	HG23 :: 0.857	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 126.334	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	C 0.55   M 0.22   E 0.2   

	C Shift Assignments>> 	C :: 175.650	 	CA :: 53.304	 	CB :: 31.961	 	CG :: 36.985	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.226	 	HA :: 5.199	 	HB2 :: 1.632	 	HB3 :: 1.918	 	HG2 :: 1.632	 	HG3 :: 1.632	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 129.824	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Y31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.4   Y 0.3   C 0.28   

	C Shift Assignments>> 	C :: 174.325	 	CA :: 54.399	 	CB :: 43.956	 	CD1 :: 132.408	 	CD2 :: 132.408	 	CE1 :: 117.404	
			 	CE2 :: 117.404	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.169	 	HA :: 5.723	 	HB2 :: 2.476	 	HB3 :: 3.349	 	HD1 :: 6.494	 	HD2 :: 6.494	
			 	HE1 :: 6.221	 	HE2 :: 6.221	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 119.822	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.C32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.32   N 0.19   L 0.14   C 0.11   F 0.07   Y 0.06   K 0.06   R 0.01   

	HN Overlap>>	 1.I95 1.I95

	C Shift Assignments>> 	C :: 173.446	 	CA :: 53.423	 	CB :: 40.666	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.041	 	HA :: 4.337	 	HB2 :: 2.775	 	HB3 :: 4.248	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 117.776	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.E33	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Suspicious

	PRTL>>	I 0.43   P 0.18   C 0.14   R 0.08   K 0.04   E 0.03   Q 0.03   L 0.01   V 0.01   

	C Shift Assignments>> 	C :: 177.772	 	CA :: 61.229	 	CB :: 27.579	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.686	 	HA :: 4.588	 	HB2 :: 2.345	 	HB3 :: 2.345	 	HG2 :: 2.494	 	HG3 :: 2.494	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 135.202(S)	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	V 0.43   P 0.31   I 0.18   C 0.05   

	C Shift Assignments>> 	C :: 176.544	 	CA :: 65.844	 	CB :: 30.670	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.457	 	HB2 :: 1.841	 	HB3 :: 2.331	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.C35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.29   V 0.17   E 0.11   K 0.1   Q 0.1   M 0.08   I 0.04   Y 0.03   R 0.01   P 0.01   

	C Shift Assignments>> 	C :: 174.209	 	CA :: 59.899	 	CB :: 34.416	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.448	 	HA :: 4.447	 	HB2 :: 1.880	 	HB3 :: 2.482	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 110.510	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.G36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.1   L 0.06   R 0.01   

	C Shift Assignments>> 	C :: 177.188	 	CA :: 45.978	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.103	 	HA2 :: 4.226	 	HA3 :: 4.335	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 104.819	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.F37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.35   C 0.34   Y 0.3   

	C Shift Assignments>> 	C :: 176.179	 	CA :: 54.863	 	CB :: 38.022	 	CD1 :: 131.184	 	CD2 :: 131.184	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 6.988	 	HA :: 5.080	 	HB2 :: 3.647	 	HB3 :: 3.932	 	HD1 :: 7.644	 	HD2 :: 7.644	
			 	HE1 :: 7.424	 	HE2 :: 7.424	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 115.697	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.E38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.36   C 0.33   E 0.25   K 0.02   M 0.01   

	C Shift Assignments>> 	C :: 177.775	 	CA :: 60.850	 	CB :: 29.994	 	CG :: 36.809	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.529	 	HA :: 3.365	 	HB2 :: 2.102	 	HB3 :: 2.427	 	HG2 :: 2.193	 	HG3 :: 2.303	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 124.587	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.A39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.63   A 0.24   I 0.07   C 0.03   V 0.01   

	C Shift Assignments>> 	C :: 179.972	 	CA :: 55.877	 	CB :: 17.984	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.175	 	HA :: 3.967	 	HB1 :: 1.435	 	HB2 :: 1.435	 	HB3 :: 1.435	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 118.850	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.T40	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	T 0.98   C 0.01   

	C Shift Assignments>> 	C :: 176.570	 	CA :: 66.476	 	CB :: 68.128	 	CG2 :: 21.016	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 7.219	 	HA :: 3.675	 	HB :: 3.501	 	HG21 :: 0.131(S)	 	HG22 :: 0.131(S)	 	HG23 :: 0.131(S)	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 115.534	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.Y41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.62   C 0.37   

	C Shift Assignments>> 	C :: 175.525	 	CA :: 61.789	 	CB :: 37.147	 	CD1 :: 133.076	 	CD2 :: 133.076	 	CE1 :: 117.713	
			 	CE2 :: 117.713	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 7.709	 	HA :: 4.177	 	HB2 :: 2.548	 	HB3 :: 2.794	 	HD1 :: 6.712	 	HD2 :: 6.712	
			 	HE1 :: 6.557	 	HE2 :: 6.557	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 122.478	
	Ave N Shift Values>> 	N :: 120.79(4.69)



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

	PRTL>>	L 0.53   C 0.39   R 0.05   

	C Shift Assignments>> 	C :: 180.475	 	CA :: 57.970	 	CB :: 41.440	 	CG :: 26.805	 	CD1 :: 25.593	 	CD2 :: 22.334	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.532	 	HA :: 3.410	 	HB2 :: 1.301	 	HB3 :: 1.736	 	HG :: 1.767	 	HD11 :: 0.841	
			 	HD12 :: 0.841	 	HD13 :: 0.841	 	HD21 :: 0.766	 	HD22 :: 0.766	 	HD23 :: 0.766	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 119.154	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.E43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.35   C 0.33   I 0.17   K 0.06   M 0.03   Q 0.02   

	C Shift Assignments>> 	C :: 179.277	 	CA :: 59.313	 	CB :: 29.902	 	CG :: 36.288	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.761	 	HA :: 3.894	 	HB2 :: 2.019	 	HB3 :: 1.957	 	HG2 :: 2.137	 	HG3 :: 2.280	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 120.160	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.L44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.55   C 0.34   K 0.07   G 0.01   

	C Shift Assignments>> 	C :: 178.174	 	CA :: 58.011	 	CB :: 42.148	 	CD1 :: 24.116	 	CD2 :: 25.158	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.731	 	HA :: 4.017	 	HB2 :: 1.517	 	HB3 :: 1.786	 	HG :: 1.616	 	HD11 :: 0.747	
			 	HD12 :: 0.747	 	HD13 :: 0.747	 	HD21 :: 0.774	 	HD22 :: 0.774	 	HD23 :: 0.774	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 121.639	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.64   A 0.26   I 0.05   C 0.02   

	C Shift Assignments>> 	C :: 179.487	 	CA :: 55.460	 	CB :: 17.449	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.846	 	HA :: 3.631	 	HB1 :: 0.972	 	HB2 :: 0.972	 	HB3 :: 0.972	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 120.697	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.S46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 176.676	 	CA :: 61.711	 	CB :: 63.005	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.741	 	HA :: 3.993	 	HB2 :: 3.853	 	HB3 :: 3.853	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 111.330	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.A47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.54   A 0.37   I 0.03   C 0.03   

	C Shift Assignments>> 	C :: 181.108	 	CA :: 55.104	 	CB :: 18.203	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.441	 	HA :: 4.120	 	HB1 :: 1.422	 	HB2 :: 1.422	 	HB3 :: 1.422	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.478	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.V48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.58   P 0.26   I 0.1   C 0.04   

	C Shift Assignments>> 	C :: 177.739	 	CA :: 66.460	 	CB :: 31.402	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.318	 	HA :: 3.651	 	HB :: 2.073	 	HG11 :: 0.901	 	HG12 :: 0.901	 	HG13 :: 0.901	
			 	HG21 :: 0.901	 	HG22 :: 0.901	 	HG23 :: 0.901	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 115.212	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	K 0.37   C 0.36   R 0.23   M 0.01   

	C Shift Assignments>> 	C :: 177.901	 	CA :: 58.528	 	CB :: 32.512	 	CG :: 25.607	 	CD :: 29.412	 	CE :: 42.090	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.107	 	HA :: 3.890	 	HB2 :: 1.783	 	HB3 :: 1.783	 	HG2 :: 1.398	 	HG3 :: 1.398	
			 	HD2 :: 1.622	 	HD3 :: 1.622	 	HE2 :: 2.914	 	HE3 :: 2.914	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 119.951	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.E50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.35   C 0.33   I 0.16   K 0.07   M 0.03   Q 0.03   

	C Shift Assignments>> 	C :: 177.772	 	CA :: 58.976	 	CB :: 29.682	 	CG :: 36.272	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.378	 	HA :: 3.887	 	HB2 :: 1.972	 	HB3 :: 2.070	 	HG2 :: 2.258	 	HG3 :: 2.258	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 116.476	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Q51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.42   Q 0.42   E 0.14   

	C Shift Assignments>> 	C :: 175.304	 	CA :: 56.729	 	CB :: 29.997	 	CG :: 33.851	 	CD :: 179.026	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 6.816	 	HA :: 3.985	 	HB2 :: 1.694	 	HB3 :: 1.694	 	HG2 :: 2.018	 	HG3 :: 2.104	
			 	HE21 :: 6.686	 	HE22 :: 7.376	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 114.108	 	NE2 :: 111.972	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.Y52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.59   C 0.4   

	HN Overlap>>	 1.S4 1.S4

	C Shift Assignments>> 	C :: 172.604	 	CA :: 55.463	 	CB :: 39.364	 	CD1 :: 133.214	 	CD2 :: 133.214	 	CE1 :: 118.041	
			 	CE2 :: 118.041	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.164	 	HA :: 4.668	 	HB2 :: 2.754	 	HB3 :: 2.754	 	HD1 :: 6.862	 	HD2 :: 6.862	
			 	HE1 :: 6.703	 	HE2 :: 6.703	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 116.618	
	Ave N Shift Values>> 	N :: 120.79(4.69)



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

	PRTL>>	P 0.89   C 0.1   

	C Shift Assignments>> 	C :: 178.299	 	CA :: 64.843	 	CB :: 31.868	 	CD :: 50.186	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.496	 	HB2 :: 1.883	 	HB3 :: 2.379	 	HG2 :: 1.896	 	HG3 :: 1.987	 	HD2 :: 3.255	
			 	HD3 :: 3.472	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.G54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.72   L 0.11   C 0.08   R 0.05   

	C Shift Assignments>> 	C :: 174.108	 	CA :: 45.116	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.527	 	HA2 :: 3.343	 	HA3 :: 4.123	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 105.018	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.I55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.67   C 0.32   

	C Shift Assignments>> 	C :: 173.933	 	CA :: 61.731	 	CB :: 40.039	 	CG1 :: 28.600	 	CG2 :: 18.176	 	CD1 :: 16.268	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 7.548	 	HA :: 4.223	 	HB :: 1.816	 	HG12 :: 1.221	 	HG13 :: 1.221	 	HG21 :: 0.893	
			 	HG22 :: 0.893	 	HG23 :: 0.893	 	HD11 :: 0.638	 	HD12 :: 0.638	 	HD13 :: 0.638	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 120.143	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	C 0.38   E 0.3   M 0.24   Q 0.03   K 0.02   I 0.01   

	C Shift Assignments>> 	C :: 174.612	 	CA :: 55.361	 	CB :: 31.677	 	CG :: 36.178	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.746	 	HA :: 4.673	 	HB2 :: 1.915	 	HB3 :: 2.033	 	HG2 :: 2.267	 	HG3 :: 2.267	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 123.914	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	I 0.58   C 0.41   

	C Shift Assignments>> 	C :: 174.005	 	CA :: 59.752	 	CB :: 40.902	 	CG1 :: 28.080	 	CG2 :: 16.105	 	CD1 :: 14.582	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.415	 	HA :: 5.236	 	HB :: 1.561	 	HG12 :: 1.063	 	HG13 :: 1.063	 	HG21 :: 0.895	
			 	HG22 :: 0.895	 	HG23 :: 0.895	 	HD11 :: 0.734	 	HD12 :: 0.734	 	HD13 :: 0.734	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 123.754	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.72   M 0.18   E 0.08   

	C Shift Assignments>> 	C :: 173.764	 	CA :: 54.463	 	CB :: 34.103	 	CG :: 36.400	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.774	 	HA :: 4.782	 	HB2 :: 1.953	 	HB3 :: 2.094	 	HG2 :: 2.184	 	HG3 :: 2.184	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 127.177	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.S59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.53   T 0.46   

	C Shift Assignments>> 	C :: 174.098	 	CA :: 55.776	 	CB :: 67.382	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.280	 	HA :: 5.402	 	HB2 :: 3.168	 	HB3 :: 3.612	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 113.497	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.R60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   G 0.18   R 0.17   K 0.12   

	HN Overlap>>	 1.I92 1.I92

	C Shift Assignments>> 	C :: 173.658	 	CA :: 54.533	 	CB :: 34.349	 	CG :: 27.378	 	CD :: 43.671	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.524	 	HA :: 4.420	 	HB2 :: 1.447	 	HB3 :: 1.493	 	HG2 :: 1.299	 	HG3 :: 1.299	
			 	HD2 :: 2.990	 	HD3 :: 3.081	 	HE :: 7.311	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 119.418	 	NE :: 84.638	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.L61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.6   C 0.33   A 0.04   R 0.01   

	C Shift Assignments>> 	C :: 177.910	 	CA :: 55.189	 	CB :: 40.621	 	CG :: 26.887	 	CD1 :: 25.001	 	CD2 :: 22.807	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.180	 	HA :: 4.324	 	HB2 :: 1.540	 	HB3 :: 1.540	 	HG :: 1.503	 	HD11 :: 0.808	
			 	HD12 :: 0.808	 	HD13 :: 0.808	 	HD21 :: 0.536	 	HD22 :: 0.536	 	HD23 :: 0.536	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 122.652	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.G62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.37   L 0.27   G 0.08   C 0.08   D 0.04   K 0.04   F 0.04   Y 0.02   

	C Shift Assignments>> 	C :: 173.791	 	CA :: 43.438	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.812	 	HA2 :: 3.117	 	HA3 :: 4.502	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.017	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.G63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.31   L 0.27   G 0.18   C 0.09   D 0.03   F 0.03   K 0.02   Y 0.02   

	C Shift Assignments>> 	C :: 172.732	 	CA :: 43.826	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.541	 	HA2 :: 3.707	 	HA3 :: 4.206	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 106.478	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	T 0.98   C 0.01   

	C Shift Assignments>> 	C :: 176.009	 	CA :: 65.588	 	CB :: 68.901	 	CG2 :: 21.925	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.058	 	HA :: 3.869	 	HB :: 3.870	 	HG21 :: 1.141	 	HG22 :: 1.141	 	HG23 :: 1.141	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 113.072	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.G65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.09   L 0.06   R 0.01   

	C Shift Assignments>> 	C :: 173.826	 	CA :: 45.869	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.073	 	HA2 :: 3.821	 	HA3 :: 4.339	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 113.009	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.A66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.52   M 0.36   C 0.04   L 0.03   V 0.01   

	C Shift Assignments>> 	C :: 177.972	 	CA :: 54.244	 	CB :: 19.835	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.964	 	HA :: 4.093	 	HB1 :: 1.371	 	HB2 :: 1.371	 	HB3 :: 1.371	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.318	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.F67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.74   C 0.25   

	C Shift Assignments>> 	C :: 172.533	 	CA :: 61.928	 	CB :: 39.798	 	CD1 :: 132.046	 	CD2 :: 132.046	 	CE1 :: 130.560	
			 	CE2 :: 130.560	 	CZ :: 128.512	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 10.114	 	HA :: 4.825	 	HB2 :: 2.988	 	HB3 :: 3.582	 	HD1 :: 7.371	 	HD2 :: 7.371	
			 	HE1 :: 6.992	 	HE2 :: 6.992	 	HZ :: 6.768	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 125.736	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.E68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   M 0.34   E 0.1   Q 0.02   

	C Shift Assignments>> 	C :: 176.553	 	CA :: 53.473	 	CB :: 33.128	 	CG :: 35.618	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.308	 	HA :: 5.453	 	HB2 :: 2.191	 	HB3 :: 2.383	 	HG2 :: 2.378	 	HG3 :: 2.378	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 126.020	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.I69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.69   C 0.3   

	C Shift Assignments>> 	C :: 174.463	 	CA :: 60.772	 	CB :: 40.188	 	CG1 :: 27.322	 	CG2 :: 17.375	 	CD1 :: 14.541	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 9.611	 	HA :: 5.049	 	HB :: 1.951	 	HG12 :: 1.101	 	HG13 :: 1.714	 	HG21 :: 0.748	
			 	HG22 :: 0.748	 	HG23 :: 0.748	 	HD11 :: 0.797	 	HD12 :: 0.797	 	HD13 :: 0.797	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 121.885	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E70	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.63   M 0.23   E 0.11   

	C Shift Assignments>> 	C :: 176.216	 	CA :: 53.878	 	CB :: 33.444	 	CG :: 36.522	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.159	 	HA :: 5.307	 	HB2 :: 1.627	 	HB3 :: 1.863	 	HG2 :: 2.041	 	HG3 :: 2.041	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 128.891	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.I71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.66   C 0.32   

	HN Overlap>>	 1.V76 1.V76

	C Shift Assignments>> 	C :: 175.318	 	CA :: 60.468	 	CB :: 39.675	 	CG1 :: 27.257	 	CG2 :: 17.057	 	CD1 :: 14.359	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.893	 	HA :: 4.754	 	HB :: 1.556	 	HG12 :: 0.806	 	HG13 :: 0.806	 	HG21 :: 0.573	
			 	HG22 :: 0.573	 	HG23 :: 0.573	 	HD11 :: 0.649	 	HD12 :: 0.649	 	HD13 :: 0.649	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 122.271	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.N72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.45   N 0.43   D 0.06   E 0.03   

	C Shift Assignments>> 	C :: 175.718	 	CA :: 53.985	 	CB :: 36.472	 	CG :: 177.570	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 9.609	 	HA :: 4.400	 	HB2 :: 2.786	 	HB3 :: 3.168	 	HD21 :: 6.608	 	HD22 :: 7.681	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 128.033	 	ND2 :: 108.470	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.G73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.79   L 0.08   C 0.08   R 0.02   

	C Shift Assignments>> 	C :: 173.498	 	CA :: 45.439	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.784	 	HA2 :: 3.612	 	HA3 :: 4.078	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 102.637	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.Q74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.45   C 0.41   E 0.13   

	C Shift Assignments>> 	C :: 174.992	 	CA :: 54.068	 	CB :: 30.787	 	CG :: 33.558	 	CD :: 180.165	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 7.870	 	HA :: 4.519	 	HB2 :: 1.986	 	HB3 :: 1.986	 	HG2 :: 2.150	 	HG3 :: 2.244	
			 	HE21 :: 6.822	 	HE22 :: 7.355	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 120.384	 	NE2 :: 111.180	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.L75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.52   C 0.31   K 0.15   

	C Shift Assignments>> 	C :: 176.362	 	CA :: 56.328	 	CB :: 41.416	 	CD1 :: 26.056	 	CD2 :: 23.428	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.770	 	HA :: 4.399	 	HB2 :: 1.518	 	HB3 :: 1.845	 	HG :: 1.293	 	HD11 :: 0.882	
			 	HD12 :: 0.882	 	HD13 :: 0.882	 	HD21 :: 0.926	 	HD22 :: 0.926	 	HD23 :: 0.926	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 128.561	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.V76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.63   C 0.35   

	HN Overlap>>	 1.I71 1.I71

	C Shift Assignments>> 	C :: 174.145	 	CA :: 61.616	 	CB :: 33.932	 	CG1 :: 19.903	 	CG2 :: 21.481	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.844	 	HA :: 4.539	 	HB :: 2.219	 	HG11 :: 0.872	 	HG12 :: 0.872	 	HG13 :: 0.872	
			 	HG21 :: 0.872	 	HG22 :: 0.872	 	HG23 :: 0.872	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 122.199	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	R 0.32   C 0.16   L 0.13   F 0.1   K 0.08   G 0.07   Y 0.07   I 0.02   D 0.01   

	C Shift Assignments>> 	C :: 172.788	 	CA :: 58.869	 	CB :: 43.379	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 7.658	 	HA :: 4.688	 	HB2 :: 2.883	 	HB3 :: 2.977	 	HD1 :: 7.374	 	HD2 :: 7.374	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 118.991	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.S78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.041	 	CA :: 55.049	 	CB :: 64.564	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.828	 	HA :: 4.969	 	HB2 :: 3.417	 	HB3 :: 3.545	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 122.472	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	C 0.3   E 0.18   V 0.11   K 0.08   M 0.07   I 0.07   Q 0.06   Y 0.05   F 0.01   

	C Shift Assignments>> 	C :: 180.215	 	CA :: 59.674	 	CB :: 35.058	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.454	 	HA :: 4.120	 	HB2 :: 1.943	 	HB3 :: 2.356	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 135.565(S)	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.L80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.47   C 0.42   K 0.09   

	C Shift Assignments>> 	C :: 179.315	 	CA :: 58.669	 	CB :: 41.187	 	CD1 :: 25.273	 	CD2 :: 25.204	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 9.212	 	HA :: 3.844	 	HB2 :: 1.253	 	HB3 :: 1.597	 	HG :: 1.622	 	HD11 :: 0.758	
			 	HD12 :: 0.758	 	HD13 :: 0.758	 	HD21 :: 0.758	 	HD22 :: 0.758	 	HD23 :: 0.758	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 122.939	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.E81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.4   E 0.37   I 0.11   M 0.08   K 0.01   

	C Shift Assignments>> 	C :: 177.880	 	CA :: 58.195	 	CB :: 31.122	 	CG :: 37.127	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.781	 	HA :: 4.067	 	HB2 :: 1.775	 	HB3 :: 1.856	 	HG2 :: 2.005	 	HG3 :: 2.212	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 116.727	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.N82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.36   C 0.35   D 0.27   

	HN Overlap>>	 1.T103 1.T103

	C Shift Assignments>> 	C :: 177.116	 	CA :: 54.970	 	CB :: 40.127	 	CG :: 175.362	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 8.236	 	HA :: 4.535	 	HB2 :: 2.528	 	HB3 :: 2.578	 	HD21 :: 5.962	 	HD22 :: 6.102	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 115.500	 	ND2 :: 110.950	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



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

	PRTL>>	G 0.8   C 0.09   L 0.07   R 0.01   

	C Shift Assignments>> 	C :: 174.581	 	CA :: 45.785	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 9.237	 	HA2 :: 3.687	 	HA3 :: 4.256	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 109.932	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.G84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.28   L 0.26   G 0.23   C 0.1   D 0.03   F 0.03   Y 0.02   K 0.01   

	C Shift Assignments>> 	C :: 171.108	 	CA :: 43.988	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.484	 	HA2 :: 3.660	 	HA3 :: 4.099	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.575	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.F85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.18   N 0.17   Y 0.17   D 0.17   F 0.15   L 0.06   E 0.02   I 0.02   

	C Shift Assignments>> 	C :: 173.309	 	CA :: 55.335	 	CB :: 39.099	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 8.235	 	HA :: 4.476	 	HB2 :: 2.084	 	HB3 :: 2.653	 	HD1 :: 6.318	 	HD2 :: 6.318	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 114.240	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.P86	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	P 0.53   C 0.43   G 0.02   

	C Shift Assignments>> 	C :: 177.143	 	CA :: 62.364	 	CB :: 30.108	 	CG :: 26.489	 	CD :: 48.640	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.024	 	HB2 :: 0.573(S)	 	HB3 :: 1.195	 	HG2 :: 0.985	 	HG3 :: 1.608	 	HD2 :: 3.029	
			 	HD3 :: 3.190	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.Y87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.53   C 0.46   

	C Shift Assignments>> 	C :: 177.747	 	CA :: 58.866	 	CB :: 37.625	 	CD1 :: 133.455	 	CD2 :: 133.455	 	CE1 :: 118.071	
			 	CE2 :: 118.071	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 9.784	 	HA :: 4.276	 	HB2 :: 2.877	 	HB3 :: 2.957	 	HD1 :: 7.149	 	HD2 :: 7.149	
			 	HE1 :: 6.645	 	HE2 :: 6.645	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 120.456	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.E88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.35   C 0.19   E 0.09   V 0.08   R 0.07   K 0.07   Q 0.05   P 0.04   M 0.01   

	C Shift Assignments>> 	C :: 178.404	 	CA :: 61.118	 	CB :: 29.265	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 9.403	 	HA :: 3.539	 	HB2 :: 1.862	 	HB3 :: 2.000	 	HG2 :: 2.063	 	HG3 :: 2.150	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 126.106	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.K89	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   K 0.27   R 0.27   I 0.02   G 0.02   

	C Shift Assignments>> 	C :: 178.643	 	CA :: 59.625	 	CB :: 32.072	 	CE :: 42.446	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.666	 	HA :: 3.950	 	HB2 :: 1.660	 	HB3 :: 1.809	 	HG2 :: 1.308	 	HG3 :: 1.382	
			 	HD2 :: 1.547	 	HD3 :: 1.547	 	HE2 :: 2.808	 	HE3 :: 2.808	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 115.935	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.D90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.2   Y 0.17   C 0.14   K 0.14   L 0.13   D 0.11   I 0.03   R 0.02   N 0.01   

	C Shift Assignments>> 	C :: 179.067	 	CA :: 57.138	 	CB :: 40.798	
	Ave C Shift Values>> 	C :: 176.41(1.77) 	CA :: 54.52(2.1) 	CB :: 40.7(1.67) 	CG :: 178.41(1.84)

	H Shift Assignments>> 	H :: 6.936	 	HA :: 4.563	 	HB2 :: 2.713	 	HB3 :: 2.910	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 117.933	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.L91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.6   C 0.34   R 0.04   

	C Shift Assignments>> 	C :: 177.950	 	CA :: 57.173	 	CB :: 41.613	 	CG :: 26.943	 	CD1 :: 24.719	 	CD2 :: 24.624	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.391	 	HA :: 4.073	 	HB2 :: 1.470	 	HB3 :: 1.577	 	HG :: 1.609	 	HD11 :: 0.703	
			 	HD12 :: 0.703	 	HD13 :: 0.703	 	HD21 :: 0.779	 	HD22 :: 0.779	 	HD23 :: 0.779	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 121.227	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.I92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.86   C 0.13   

	HN Overlap>>	 1.R60 1.R60

	C Shift Assignments>> 	C :: 178.480	 	CA :: 64.558	 	CB :: 36.711	 	CG1 :: 29.196	 	CG2 :: 17.558	 	CD1 :: 11.671	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.459	 	HA :: 3.732	 	HB :: 2.073	 	HG12 :: 1.359	 	HG13 :: 1.619	 	HG21 :: 1.034	
			 	HG22 :: 1.034	 	HG23 :: 1.034	 	HD11 :: 0.753	 	HD12 :: 0.753	 	HD13 :: 0.753	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 119.413	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E93	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.3   E 0.25   K 0.16   Q 0.13   I 0.09   M 0.01   R 0.01   

	C Shift Assignments>> 	C :: 177.796	 	CA :: 58.675	 	CB :: 28.732	 	CG :: 35.263	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.690	 	HA :: 4.366	 	HB2 :: 2.025	 	HB3 :: 2.139	 	HG2 :: 2.261	 	HG3 :: 2.432	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 120.784	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.A94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.58   A 0.32   I 0.04   C 0.03   

	C Shift Assignments>> 	C :: 179.314	 	CA :: 55.419	 	CB :: 18.166	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.648	 	HA :: 4.065	 	HB1 :: 1.506	 	HB2 :: 1.506	 	HB3 :: 1.506	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.300	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.I95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.88   C 0.11   

	HN Overlap>>	 1.C32 1.C32

	C Shift Assignments>> 	C :: 177.667	 	CA :: 65.448	 	CB :: 37.827	 	CG1 :: 29.955	 	CG2 :: 16.497	 	CD1 :: 15.753	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.039	 	HA :: 3.251	 	HB :: 1.530	 	HG12 :: 0.587	 	HG13 :: 1.755	 	HG21 :: -0.096	
			 	HG22 :: -0.096	 	HG23 :: -0.096	 	HD11 :: 0.622	 	HD12 :: 0.622	 	HD13 :: 0.622	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 117.817	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.R96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.39   C 0.35   K 0.17   G 0.05   L 0.02   

	C Shift Assignments>> 	C :: 179.825	 	CA :: 60.226	 	CB :: 29.444	 	CG :: 26.472	 	CD :: 42.868	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.046	 	HA :: 3.694	 	HB2 :: 2.027	 	HB3 :: 2.083	 	HG2 :: 1.497	 	HG3 :: 1.672	
			 	HD2 :: 3.084	 	HD3 :: 3.320	 	HE :: 7.883	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 123.765	 	NE :: 82.872	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.R97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.38   R 0.37   G 0.18   K 0.04   

	HN Overlap>>	 1.C114 1.C114

	C Shift Assignments>> 	C :: 179.085	 	CA :: 60.326	 	CB :: 30.161	 	CG :: 28.454	 	CD :: 43.785	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 8.038	 	HA :: 3.829	 	HB2 :: 1.599	 	HB3 :: 1.867	 	HG2 :: 1.525	 	HG3 :: 1.895	
			 	HD2 :: 3.180	 	HD3 :: 3.180	 	HE :: 7.564	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.593	 	NE :: 84.926	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.A98	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.49   A 0.43   C 0.03   I 0.02   

	C Shift Assignments>> 	C :: 181.722	 	CA :: 54.844	 	CB :: 18.530	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.443	 	HA :: 4.126	 	HB1 :: 1.403	 	HB2 :: 1.403	 	HB3 :: 1.403	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.269	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.S99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.546	 	CA :: 61.262	 	CB :: 63.084	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.604	 	HA :: 4.023	 	HB2 :: 3.819	 	HB3 :: 3.819	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 115.014	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.N100	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.43   D 0.41   C 0.14   

	C Shift Assignments>> 	C :: 175.466	 	CA :: 52.843	 	CB :: 40.148	 	CG :: 177.240	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 7.495	 	HA :: 4.889	 	HB2 :: 2.725	 	HB3 :: 3.012	 	HD21 :: 6.768	 	HD22 :: 7.827	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 118.082	 	ND2 :: 112.788	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.G101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.8   C 0.12   L 0.05   

	C Shift Assignments>> 	C :: 174.794	 	CA :: 46.328	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.799	 	HA2 :: 3.805	 	HA3 :: 4.017	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.097	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.E102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.32   E 0.29   M 0.22   Q 0.08   K 0.04   I 0.01   

	C Shift Assignments>> 	C :: 176.071	 	CA :: 55.745	 	CB :: 31.257	 	CG :: 35.645	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.828	 	HA :: 4.325	 	HB2 :: 1.613	 	HB3 :: 2.083	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 119.411	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.T103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.95   C 0.04   

	HN Overlap>>	 1.N82 1.N82

	C Shift Assignments>> 	C :: 174.448	 	CA :: 63.413	 	CB :: 69.605	 	CG2 :: 22.158	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.228	 	HA :: 3.998	 	HB :: 3.997	 	HG21 :: 1.194	 	HG22 :: 1.194	 	HG23 :: 1.194	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 115.531	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.L104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.68   C 0.24   G 0.05   R 0.01   A 0.01   

	C Shift Assignments>> 	C :: 176.367	 	CA :: 54.573	 	CB :: 42.778	 	CG :: 26.094	 	CD1 :: 24.098	 	CD2 :: 24.098	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 8.521	 	HA :: 4.377	 	HB2 :: 1.300	 	HB3 :: 1.573	 	HG :: 1.647	 	HD11 :: 0.820	
			 	HD12 :: 0.820	 	HD13 :: 0.820	 	HD21 :: 0.820	 	HD22 :: 0.820	 	HD23 :: 0.820	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 126.184	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.E105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.43   M 0.28   E 0.24   Q 0.02   K 0.01   

	HN Overlap>>	 1.E6 1.V12 1.E6 1.V12

	C Shift Assignments>> 	C :: 175.461	 	CA :: 54.500	 	CB :: 32.219	 	CG :: 36.199	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 8.085	 	HA :: 4.468	 	HB2 :: 1.806	 	HB3 :: 1.999	 	HG2 :: 2.144	 	HG3 :: 2.144	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 121.487	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.K106	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.38   R 0.19   M 0.02   

	C Shift Assignments>> 	C :: 176.802	 	CA :: 57.688	 	CB :: 32.732	 	CG :: 25.292	 	CD :: 29.509	 	CE :: 41.770	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.241	 	HA :: 4.136	 	HB2 :: 1.637	 	HB3 :: 1.637	 	HG2 :: 1.288	 	HG3 :: 1.288	
			 	HD2 :: 1.568	 	HD3 :: 1.568	 	HE2 :: 2.792	 	HE3 :: 2.792	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 120.610	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.I107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.77   C 0.22   

	C Shift Assignments>> 	C :: 176.439	 	CA :: 62.034	 	CB :: 39.862	 	CG1 :: 27.594	 	CG2 :: 18.602	 	CD1 :: 14.128	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 9.171	 	HA :: 4.110	 	HB :: 2.254	 	HG12 :: 1.191	 	HG13 :: 1.950	 	HG21 :: 1.352	
			 	HG22 :: 1.352	 	HG23 :: 1.352	 	HD11 :: 0.838	 	HD12 :: 0.838	 	HD13 :: 0.838	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 127.221	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.T108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.92   C 0.07   

	C Shift Assignments>> 	C :: 174.451	 	CA :: 61.758	 	CB :: 69.462	 	CG2 :: 21.488	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 8.490	 	HA :: 4.422	 	HB :: 4.338	 	HG21 :: 1.072	 	HG22 :: 1.072	 	HG23 :: 1.072	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 116.773	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.N109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.51   D 0.3   C 0.17   

	C Shift Assignments>> 	C :: 174.627	 	CA :: 53.064	 	CB :: 39.790	 	CG :: 176.215	
	Ave C Shift Values>> 	C :: 175.16(1.76) 	CA :: 53.43(1.94) 	CB :: 38.66(1.78) 	CG :: 176.61(1.33)

	H Shift Assignments>> 	H :: 7.591	 	HA :: 4.928	 	HB2 :: 2.836	 	HB3 :: 2.836	 	HD21 :: 6.745	 	HD22 :: 8.200	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 121.749	 	ND2 :: 115.349	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.S110	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.89   T 0.1   

	C Shift Assignments>> 	C :: 171.970	 	CA :: 57.939	 	CB :: 66.166	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.360	 	HA :: 4.735	 	HB2 :: 3.673	 	HB3 :: 3.734	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 115.686	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.R111	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.39   C 0.31   G 0.23   K 0.04   L 0.01   

	C Shift Assignments>> 	C :: 173.976	 	CA :: 53.188	 	CB :: 30.433	 	CG :: 26.180	 	CD :: 43.849	
	Ave C Shift Values>> 	C :: 176.49(2.16) 	CA :: 56.95(2.41) 	CB :: 30.66(1.77) 	CG :: 27.31(1.65) 	CD :: 43.1(1.1) 	CZ :: 159.01(0.87)

	H Shift Assignments>> 	H :: 9.112	 	HA :: 4.560	 	HB2 :: 1.177	 	HB3 :: 1.291	 	HG2 :: 0.930	 	HG3 :: 0.930	
			 	HD2 :: 2.608	 	HD3 :: 2.801	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 121.668	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)



1.P112	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P113	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.42   V 0.37   C 0.09   I 0.06   R 0.01   

	C Shift Assignments>> 	C :: 176.379	 	CA :: 63.222	 	CB :: 31.852	
	Ave C Shift Values>> 	C :: 176.7(1.69) 	CA :: 63.3(1.64) 	CB :: 31.81(1.54) 	CG :: 27.14(1.18) 	CD :: 50.28(1.04)

	H Shift Assignments>> 	HA :: 4.256	 	HB2 :: 1.866	 	HB3 :: 2.005	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.C114	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.18   K 0.17   Q 0.16   C 0.15   E 0.12   I 0.11   L 0.06   M 0.01   

	HN Overlap>>	 1.R97 1.R97

	C Shift Assignments>> 	C :: 174.259	 	CA :: 58.207	 	CB :: 28.129	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.079	 	HA :: 4.454	 	HB2 :: 2.861	 	HB3 :: 2.861	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 118.550	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.V115	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 :: 175.375	 	CA :: 62.413	 	CB :: 33.015	 	CG1 :: 21.073	 	CG2 :: 21.073	
	Ave C Shift Values>> 	C :: 175.69(2.03) 	CA :: 62.48(3.04) 	CB :: 32.66(1.91) 	CG1 :: 21.38(1.53) 	CG2 :: 21.31(1.76)

	H Shift Assignments>> 	H :: 8.081	 	HA :: 4.110	 	HB :: 2.009	 	HG11 :: 0.886	 	HG12 :: 0.886	 	HG13 :: 0.886	
			 	HG21 :: 0.886	 	HG22 :: 0.886	 	HG23 :: 0.886	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 122.743	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.I116	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.68   C 0.31   

	C Shift Assignments>> 	C :: 175.064	 	CA :: 61.003	 	CB :: 38.625	 	CG1 :: 27.417	 	CG2 :: 17.619	 	CD1 :: 12.720	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.136	 	HA :: 4.121	 	HB :: 1.799	 	HG12 :: 1.121	 	HG13 :: 1.409	 	HG21 :: 0.846	
			 	HG22 :: 0.846	 	HG23 :: 0.846	 	HD11 :: 0.784	 	HD12 :: 0.784	 	HD13 :: 0.784	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 126.142	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.L117	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.58   C 0.23   G 0.16   K 0.01   

	C Shift Assignments>> 	C :: 182.122	 	CA :: 56.711	 	CB :: 43.733	 	CD1 :: 24.803	 	CD2 :: 24.803	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 7.776	 	HA :: 4.165	 	HB2 :: 1.528	 	HB3 :: 1.528	 	HD11 :: 0.802	 	HD12 :: 0.802	
			 	HD13 :: 0.802	 	HD21 :: 0.845	 	HD22 :: 0.845	 	HD23 :: 0.845	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 132.801	
	Ave N Shift Values>> 	N :: 121.98(4.07)





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

Overall Results:

	      #Consistent: 113      #Clerical:   0      #Suspicious:   4      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 112      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   5


Shift Relative Order (SRO) Results:

	      #Consistent: 117      #Suspicious:   0


C Shift Results:

	      #Consistent: 457      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 737      #Duplicate:   0      #Unknown:   0      #Suspicious:   4      #Anomalous:   0


N Shift Results:

	      #Consistent: 113      #Duplicate:   0      #Unknown:   0      #Suspicious:   2      #Anomalous:   0



Error Summary:

1.E33	N = 135.202(S),	 Expected = 120.68, Std = 3.6800, ChiSquare = 7.9403e-05
1.T40	HG21 = 0.131(S),	 Expected =  1.16, Std = 0.2800, ChiSquare = 2.3785e-04
1.T40	HG22 = 0.131(S),	 Expected =  1.16, Std = 0.2800, ChiSquare = 2.3785e-04
1.T40	HG23 = 0.131(S),	 Expected =  1.16, Std = 0.2800, ChiSquare = 2.3785e-04
1.K79	N = 135.565(S),	 Expected = 121.16, Std = 4.1100, ChiSquare = 4.5684e-04
1.P86	HB2 = 0.573(S),	 Expected =  2.05, Std = 0.3900, ChiSquare = 1.5237e-04