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


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

	PRTL>>	R 0.4   L 0.28   D 0.07   K 0.05   F 0.05   G 0.04   Y 0.03   C 0.03   I 0.01   

	C Shift Assignments>> 	C :: 170.580	 	CA :: 43.113	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	HA2 :: 3.880	 	HA3 :: 3.880	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.995	 	CA :: 58.218	 	CB :: 63.379	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	HA :: 4.483	 	HB2 :: 3.886	 	HB3 :: 3.847	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)



1.D3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.8   C 0.14   N 0.04   

	C Shift Assignments>> 	C :: 175.906	 	CA :: 54.107	 	CB :: 40.881	 	CG :: 180.051	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.536	 	HA :: 4.622	 	HB2 :: 2.657	 	HB3 :: 2.657	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 121.988	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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 :: 173.596	 	CA :: 58.027	 	CB :: 63.397	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.130	 	HA :: 4.337	 	HB2 :: 3.751	 	HB3 :: 3.720	
	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 :: 115.386	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.F5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.41   Y 0.36   C 0.22   

	C Shift Assignments>> 	C :: 174.786	 	CA :: 57.637	 	CB :: 39.147	 	CD1 :: 131.431	 	CD2 :: 131.431	
	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 :: 8.199	 	HA :: 4.430	 	HB2 :: 2.966	 	HB3 :: 2.897	 	HD1 :: 7.006	 	HD2 :: 7.006	
	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 :: 122.437	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	Q 0.62   C 0.35   E 0.01   

	C Shift Assignments>> 	C :: 173.179	 	CA :: 52.912	 	CB :: 28.899	 	CG :: 33.067	 	CD :: 180.285	
	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 :: 7.956	 	HA :: 4.538	 	HB2 :: 1.815	 	HB3 :: 2.029	 	HG2 :: 2.292	 	HG3 :: 2.292	
			 	HE21 :: 6.838	 	HE22 :: 7.497	
	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 :: 124.220	 	NE2 :: 112.549	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



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

	PRTL>>	P 0.75   C 0.24   

	C Shift Assignments>> 	C :: 176.601	 	CA :: 63.226	 	CB :: 31.787	 	CG :: 27.110	 	CD :: 50.332	
	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 :: 4.290	 	HB2 :: 1.913	 	HB3 :: 2.259	 	HG2 :: 1.985	 	HG3 :: 1.958	 	HD2 :: 3.613	
			 	HD3 :: 3.613	
	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.E8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.55   C 0.44   

	C Shift Assignments>> 	C :: 175.755	 	CA :: 56.185	 	CB :: 29.650	 	CG :: 36.075	 	CD :: 183.910	
	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 :: 8.494	 	HA :: 4.191	 	HB2 :: 1.938	 	HB3 :: 2.030	 	HG2 :: 2.240	 	HG3 :: 2.240	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 119.738	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.A9	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 :: 176.331	 	CA :: 52.026	 	CB :: 18.797	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.120	 	HA :: 4.304	 	HB1 :: 1.096	 	HB2 :: 1.096	 	HB3 :: 1.096	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.655	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.K10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.55   C 0.37   R 0.06   

	C Shift Assignments>> 	C :: 174.486	 	CA :: 55.238	 	CB :: 33.400	 	CG :: 24.486	 	CD :: 28.866	 	CE :: 41.693	
	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 :: 8.752	 	HA :: 4.490	 	HB2 :: 1.938	 	HB3 :: 1.849	 	HG2 :: 1.454	 	HG3 :: 1.400	
			 	HD2 :: 1.725	 	HD3 :: 1.725	 	HE2 :: 2.980	 	HE3 :: 2.980	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 123.049	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.V11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.57   C 0.42   

	C Shift Assignments>> 	C :: 175.514	 	CA :: 61.221	 	CB :: 32.201	 	CG1 :: 20.436	 	CG2 :: 21.557	
	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 :: 8.378	 	HA :: 4.512	 	HB :: 1.882	 	HG11 :: 0.614	 	HG12 :: 0.614	 	HG13 :: 0.614	
			 	HG21 :: 0.699	 	HG22 :: 0.699	 	HG23 :: 0.699	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 125.023	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	R 0.54   C 0.44   G 0.01   

	C Shift Assignments>> 	C :: 172.295	 	CA :: 56.460	 	CB :: 29.661	 	CG :: 26.750	 	CD :: 42.461	 	CZ :: 159.040	
	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 :: 8.608	 	HA :: 4.278	 	HB2 :: 2.047	 	HB3 :: 1.500	 	HG2 :: 1.787	 	HG3 :: 1.425	
			 	HD2 :: 3.258	 	HD3 :: 3.145	 	HE :: 7.364	
	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 :: 130.940	 	NE :: 84.113	
	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.C13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.15   E 0.15   C 0.13   H 0.13   R 0.13   Q 0.12   K 0.08   M 0.04   I 0.02   V 0.01   

	C Shift Assignments>> 	C :: 175.421	 	CA :: 57.687	 	CB :: 30.013	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.961	 	HA :: 4.664	 	HB2 :: 2.476	 	HB3 :: 3.487	
	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 :: 127.666	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.I14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.78   C 0.21   

	C Shift Assignments>> 	C :: 176.723	 	CA :: 62.800	 	CB :: 38.113	 	CG1 :: 26.821	 	CG2 :: 18.557	 	CD1 :: 14.030	
	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 :: 9.354	 	HA :: 4.406	 	HB :: 2.124	 	HG12 :: 1.203	 	HG13 :: 1.446	 	HG21 :: 1.039	
			 	HG22 :: 1.039	 	HG23 :: 1.039	 	HD11 :: 0.975	 	HD12 :: 0.975	 	HD13 :: 0.975	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.912	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.C15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.14   C 0.14   H 0.13   W 0.13   E 0.13   M 0.09   K 0.09   Q 0.09   V 0.01   

	C Shift Assignments>> 	C :: 175.196	 	CA :: 57.267	 	CB :: 30.981	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.433	 	HA :: 4.917	 	HB2 :: 3.381	 	HB3 :: 3.217	
	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 :: 120.312	
	Ave N Shift Values>> 	N :: 120.17(4.64)



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 :: 173.815	 	CA :: 58.882	 	CB :: 63.103	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.220	 	HA :: 4.453	 	HB2 :: 4.118	 	HB3 :: 3.990	
	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 :: 112.475	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.S17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 176.303	 	CA :: 56.442	 	CB :: 63.907	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.559	 	HA :: 4.893	 	HB2 :: 3.896	 	HB3 :: 4.101	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 118.155	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.T18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.77   C 0.2   S 0.02   

	HN Overlap>>	 1.R31 1.R31

	C Shift Assignments>> 	C :: 173.128	 	CA :: 60.267	 	CB :: 67.841	 	CG2 :: 21.451	
	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 :: 8.840	 	HA :: 4.441	 	HB :: 4.670	 	HG21 :: 1.229	 	HG22 :: 1.229	 	HG23 :: 1.229	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 118.186	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.M19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.51   C 0.34   A 0.13   

	C Shift Assignments>> 	C :: 175.681	 	CA :: 55.285	 	CB :: 32.984	 	CG :: 31.674	 	CE :: 16.765	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.928	 	HA :: 4.369	 	HB2 :: 1.914	 	HB3 :: 1.880	 	HG2 :: 2.551	 	HG3 :: 2.509	
			 	HE1 :: 2.032	 	HE2 :: 2.032	 	HE3 :: 2.032	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 120.512	
	Ave N Shift Values>> 	N :: 120.09(3.57)



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

	PRTL>>	V 0.65   C 0.34   

	C Shift Assignments>> 	C :: 175.416	 	CA :: 62.064	 	CB :: 31.977	 	CG1 :: 21.276	 	CG2 :: 20.898	
	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 :: 8.484	 	HA :: 4.086	 	HB :: 1.890	 	HG11 :: 0.703	 	HG12 :: 0.703	 	HG13 :: 0.703	
			 	HG21 :: 0.758	 	HG22 :: 0.758	 	HG23 :: 0.758	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 123.485	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.N21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.82   C 0.09   D 0.08   

	HN Overlap>>	 1.D68 1.D68

	C Shift Assignments>> 	C :: 173.723	 	CA :: 51.441	 	CB :: 39.259	 	CG :: 175.613	
	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 :: 7.861	 	HA :: 4.786	 	HB2 :: 3.069	 	HB3 :: 2.702	 	HD21 :: 6.488	 	HD22 :: 7.252	
	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 :: 125.095	 	ND2 :: 109.873	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.D22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.8   C 0.16   N 0.02   

	C Shift Assignments>> 	C :: 176.145	 	CA :: 54.546	 	CB :: 40.944	 	CG :: 180.342	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.029	 	HA :: 4.484	 	HB2 :: 2.702	 	HB3 :: 2.702	
	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 :: 115.589	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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 :: 172.960	 	CA :: 56.657	 	CB :: 63.297	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.419	 	HA :: 4.761	 	HB2 :: 3.837	 	HB3 :: 3.696	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 116.749	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.M24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.43   C 0.3   A 0.26   

	C Shift Assignments>> 	C :: 174.374	 	CA :: 52.933	 	CB :: 35.781	 	CG :: 32.006	 	CE :: 15.920	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 8.649	 	HA :: 5.552	 	HB2 :: 2.052	 	HB3 :: 2.307	 	HG2 :: 2.559	 	HG3 :: 2.505	
			 	HE1 :: 1.610	 	HE2 :: 1.610	 	HE3 :: 1.610	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 123.217	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.I25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.86   I 0.11   G 0.01   

	C Shift Assignments>> 	C :: 170.382	 	CA :: 59.876	 	CB :: 42.107	 	CG1 :: 28.217	 	CG2 :: 14.190	 	CD1 :: 13.706	
	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 :: 9.365	 	HA :: 4.567	 	HB :: 1.275	 	HG12 :: 0.410	 	HG13 :: 1.236	 	HG21 :: 0.356	
			 	HG22 :: 0.356	 	HG23 :: 0.356	 	HD11 :: -0.002	 	HD12 :: -0.002	 	HD13 :: -0.002	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.039	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.Q26	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	Q 0.55   C 0.44   

	C Shift Assignments>> 	C :: 174.767	 	CA :: 52.904	 	CB :: 29.063	 	CG :: 32.364	 	CD :: 179.861	
	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 :: 7.729	 	HA :: 4.389	 	HB2 :: -0.969(A)	 	HB3 :: 1.025(S)	 	HG2 :: 1.705	 	HG3 :: 0.544(S)	
			 	HE21 :: 6.681	 	HE22 :: 7.112	
	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 :: 128.364	 	NE2 :: 110.947	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.C27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.25   V 0.17   W 0.15   E 0.07   R 0.07   P 0.06   I 0.06   H 0.05   K 0.03   Q 0.03   M 0.02   

	C Shift Assignments>> 	C :: 176.207	 	CA :: 60.929	 	CB :: 30.767	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 9.069	 	HA :: 4.153	 	HB2 :: 2.724	 	HB3 :: 3.114	
	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 :: 128.200	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.E28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.57   E 0.42   

	C Shift Assignments>> 	C :: 177.139	 	CA :: 57.340	 	CB :: 28.874	 	CG :: 37.610	 	CD :: 183.947	
	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 :: 8.683	 	HA :: 3.974	 	HB2 :: 1.434	 	HB3 :: 1.997	 	HG2 :: 2.584	 	HG3 :: 2.154	
	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 :: 127.265	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	D 0.56   G 0.23   C 0.19   

	C Shift Assignments>> 	C :: 178.555	 	CA :: 55.372	 	CB :: 43.453	 	CG :: 180.460	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.760	 	HA :: 4.684	 	HB2 :: 2.490	 	HB3 :: 3.764(S)	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 124.214	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.Q30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.46   Q 0.45   E 0.07   

	C Shift Assignments>> 	C :: 176.490	 	CA :: 58.057	 	CB :: 28.296	 	CG :: 33.932	 	CD :: 179.824	
	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 :: 9.127	 	HA :: 3.946	 	HB2 :: 2.178	 	HB3 :: 2.060	 	HG2 :: 2.462	 	HG3 :: 2.462	
			 	HE21 :: 6.865	 	HE22 :: 7.549	
	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 :: 128.037	 	NE2 :: 112.957	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.R31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.44   C 0.34   K 0.13   G 0.03   L 0.03   

	HN Overlap>>	 1.T18 1.T18

	C Shift Assignments>> 	C :: 175.089	 	CA :: 56.305	 	CB :: 29.615	 	CG :: 26.758	 	CD :: 42.998	
	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 :: 8.845	 	HA :: 4.222	 	HB2 :: 1.724	 	HB3 :: 1.900	 	HG2 :: 1.646	 	HG3 :: 1.646	
			 	HD2 :: 3.205	 	HD3 :: 3.104	
	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 :: 118.118	
	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.C32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.28   V 0.28   K 0.09   W 0.06   M 0.05   Q 0.04   R 0.04   P 0.04   H 0.03   E 0.02   

	C Shift Assignments>> 	C :: 174.518	 	CA :: 60.521	 	CB :: 32.893	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.039	 	HA :: 4.341	 	HB2 :: 2.578	 	HB3 :: 3.043	
	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 :: 123.996	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.Q33	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Suspicious

	PRTL>>	C 0.49   Q 0.39   E 0.1   

	C Shift Assignments>> 	C :: 175.392	 	CA :: 56.880	 	CB :: 27.100	 	CG :: 34.307	 	CD :: 180.709	
	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 :: 7.424	 	HA :: 4.304	 	HB2 :: 2.219	 	HB3 :: 2.219	 	HG2 :: 2.243	 	HG3 :: 2.086	
			 	HE21 :: 6.812	 	HE22 :: 7.471	
	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 :: 106.575(S)	 	NE2 :: 112.905	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.V34	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 :: 174.127	 	CA :: 62.915	 	CB :: 32.986	 	CG1 :: 21.883	 	CG2 :: 18.586	
	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 :: 8.190	 	HA :: 4.528	 	HB :: 2.308	 	HG11 :: 1.193	 	HG12 :: 1.193	 	HG13 :: 1.193	
			 	HG21 :: 1.093	 	HG22 :: 1.093	 	HG23 :: 1.093	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 117.359	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	W 0.55   C 0.44   

	C Shift Assignments>> 	C :: 175.324	 	CA :: 55.922	 	CB :: 31.023	 	CD1 :: 127.420	 	CE3 :: 119.677	 	CZ2 :: 114.980	
			 	CZ3 :: 121.394	 	CH2 :: 124.442	
	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 :: 8.832	 	HA :: 5.108	 	HB2 :: 2.881	 	HB3 :: 2.942	 	HD1 :: 7.350	 	HE1 :: 10.201	
			 	HE3 :: 7.239	 	HZ2 :: 7.307	 	HZ3 :: 6.862	 	HH2 :: 7.105	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 119.308	 	NE1 :: 130.288	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.Q36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.56   Q 0.37   N 0.03   E 0.02   

	C Shift Assignments>> 	C :: 174.596	 	CA :: 53.833	 	CB :: 32.349	 	CG :: 34.081	 	CD :: 178.808	
	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 :: 9.411	 	HA :: 4.430	 	HB2 :: 1.833	 	HB3 :: 2.578	 	HG2 :: 2.423	 	HG3 :: 2.166	
			 	HE21 :: 7.625	 	HE22 :: 8.175	
	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 :: 116.867	 	NE2 :: 111.173	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.H37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.38   C 0.35   W 0.26   

	C Shift Assignments>> 	C :: 177.062	 	CA :: 57.074	 	CB :: 30.119	 	CD2 :: 117.651	 	CE1 :: 137.537	
	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 :: 9.051	 	HA :: 5.000	 	HB2 :: 4.144	 	HB3 :: 3.649	 	HD2 :: 7.058	 	HE1 :: 7.715	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 122.412	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.L38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.49   C 0.45   R 0.03   G 0.01   

	C Shift Assignments>> 	C :: 177.484	 	CA :: 59.020	 	CB :: 42.193	 	CG :: 27.103	 	CD1 :: 24.869	 	CD2 :: 24.900	
	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 :: 8.982	 	HA :: 3.755	 	HB2 :: 1.303	 	HB3 :: 1.557	 	HG :: 1.373	 	HD11 :: 0.770	
			 	HD12 :: 0.770	 	HD13 :: 0.770	 	HD21 :: 0.754	 	HD22 :: 0.754	 	HD23 :: 0.754	
	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 :: 128.750	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.N39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.61   C 0.28   D 0.09   

	C Shift Assignments>> 	C :: 176.409	 	CA :: 54.846	 	CB :: 37.773	 	CG :: 176.690	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 9.002	 	HA :: 4.533	 	HB2 :: 2.838	 	HB3 :: 2.788	 	HD21 :: 6.948	 	HD22 :: 7.778	
	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 :: 111.295	 	ND2 :: 112.925	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.C40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.28   P 0.24   C 0.21   W 0.08   I 0.05   R 0.02   E 0.02   H 0.02   K 0.01   

	C Shift Assignments>> 	C :: 176.786	 	CA :: 62.055	 	CB :: 31.141	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.461	 	HA :: 4.262	 	HB2 :: 3.203	 	HB3 :: 2.984	
	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 :: 115.660	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.V41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.59   V 0.4   

	C Shift Assignments>> 	C :: 175.639	 	CA :: 62.249	 	CB :: 33.131	 	CG1 :: 22.106	 	CG2 :: 18.032	
	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 :: 7.065	 	HA :: 4.446	 	HB :: 2.488	 	HG11 :: 1.111	 	HG12 :: 1.111	 	HG13 :: 1.111	
			 	HG21 :: 0.838	 	HG22 :: 0.838	 	HG23 :: 0.838	
	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 :: 107.885	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	L 0.73   C 0.2   A 0.03   R 0.02   

	C Shift Assignments>> 	C :: 174.719	 	CA :: 53.832	 	CB :: 41.786	 	CG :: 26.797	 	CD1 :: 25.687	 	CD2 :: 23.594	
	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 :: 8.043	 	HA :: 4.667	 	HB2 :: 1.409	 	HB3 :: 1.606	 	HG :: 1.558	 	HD11 :: 0.829	
			 	HD12 :: 0.829	 	HD13 :: 0.829	 	HD21 :: 0.892	 	HD22 :: 0.892	 	HD23 :: 0.892	
	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 :: 124.392	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	I 0.5   C 0.47   A 0.02   

	C Shift Assignments>> 	C :: 174.667	 	CA :: 57.699	 	CB :: 38.960	 	CG1 :: 26.808	 	CG2 :: 16.823	 	CD1 :: 12.272	
	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 :: 8.203	 	HA :: 4.476	 	HB :: 1.828	 	HG12 :: 1.423	 	HG13 :: 1.130	 	HG21 :: 0.930	
			 	HG22 :: 0.930	 	HG23 :: 0.930	 	HD11 :: 0.818	 	HD12 :: 0.818	 	HD13 :: 0.818	
	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 :: 124.268	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	P 0.69   C 0.3   

	C Shift Assignments>> 	C :: 176.228	 	CA :: 62.626	 	CB :: 32.304	 	CG :: 27.160	 	CD :: 50.781	
	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 :: 4.380	 	HB2 :: 1.953	 	HB3 :: 2.151	 	HG2 :: 2.008	 	HG3 :: 2.008	 	HD2 :: 3.727	
			 	HD3 :: 3.862	
	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.D45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.76   C 0.18   N 0.04   

	C Shift Assignments>> 	C :: 175.645	 	CA :: 55.294	 	CB :: 41.152	 	CG :: 179.680	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.672	 	HA :: 4.433	 	HB2 :: 2.686	 	HB3 :: 2.665	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 120.937	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.K46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.61   C 0.3   R 0.05   A 0.02   

	C Shift Assignments>> 	C :: 173.357	 	CA :: 52.944	 	CB :: 33.306	 	CG :: 24.127	 	CD :: 28.793	 	CE :: 41.649	
	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 :: 7.665	 	HA :: 4.705	 	HB2 :: 1.758	 	HB3 :: 1.571	 	HG2 :: 1.378	 	HG3 :: 1.378	
			 	HD2 :: 1.665	 	HD3 :: 1.665	 	HE2 :: 2.969	 	HE3 :: 2.969	
	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 :: 118.255	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.P47	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 :: 177.606	 	CA :: 63.366	 	CB :: 31.620	 	CG :: 27.010	 	CD :: 50.454	
	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 :: 4.297	 	HB2 :: 1.889	 	HB3 :: 2.286	 	HG2 :: 2.074	 	HG3 :: 2.074	 	HD2 :: 3.612	
			 	HD3 :: 3.804	
	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.G48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.74   L 0.14   R 0.03   C 0.03   F 0.01   D 0.01   

	C Shift Assignments>> 	C :: 173.935	 	CA :: 44.988	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.730	 	HA2 :: 4.148	 	HA3 :: 3.727	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 111.231	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.E49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.56   C 0.42   

	C Shift Assignments>> 	C :: 175.702	 	CA :: 55.082	 	CB :: 30.823	 	CG :: 36.303	 	CD :: 183.206	
	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 :: 7.698	 	HA :: 4.511	 	HB2 :: 1.965	 	HB3 :: 2.146	 	HG2 :: 2.223	 	HG3 :: 2.165	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 119.502	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.S50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.968	 	CA :: 57.877	 	CB :: 63.653	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.486	 	HA :: 4.465	 	HB2 :: 3.852	 	HB3 :: 3.792	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 116.084	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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

	PRTL>>	A 0.91   M 0.06   C 0.01   

	C Shift Assignments>> 	C :: 176.451	 	CA :: 51.630	 	CB :: 19.288	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.649	 	HA :: 4.311	 	HB1 :: 1.174	 	HB2 :: 1.174	 	HB3 :: 1.174	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 126.762	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	E 0.55   C 0.44   

	C Shift Assignments>> 	C :: 175.428	 	CA :: 55.400	 	CB :: 30.446	 	CG :: 35.912	 	CD :: 183.870	
	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 :: 8.405	 	HA :: 4.265	 	HB2 :: 1.934	 	HB3 :: 1.852	 	HG2 :: 2.224	 	HG3 :: 2.148	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 121.542	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.V53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.49   V 0.49   

	C Shift Assignments>> 	C :: 174.250	 	CA :: 59.934	 	CB :: 32.200	 	CG1 :: 20.872	 	CG2 :: 20.872	
	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 :: 8.381	 	HA :: 4.147	 	HB :: 1.963	 	HG11 :: 0.916	 	HG12 :: 0.916	 	HG13 :: 0.916	
			 	HG21 :: 0.916	 	HG22 :: 0.916	 	HG23 :: 0.916	
	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 :: 124.884	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.P54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.51   P 0.48   

	C Shift Assignments>> 	CA :: 61.148	 	CB :: 31.221	 	CG :: 27.025	 	CD :: 50.647	
	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 :: 4.766	 	HB2 :: 2.003	 	HB3 :: 2.384	 	HG2 :: 2.218	 	HG3 :: 2.051	 	HD2 :: 3.608	
			 	HD3 :: 3.956	
	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.P55	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 :: 176.314	 	CA :: 64.048	 	CB :: 31.573	 	CG :: 27.207	 	CD :: 50.052	
	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 :: 4.280	 	HB2 :: 2.325	 	HB3 :: 1.961	 	HG2 :: 2.068	 	HG3 :: 2.068	 	HD2 :: 3.802	
			 	HD3 :: 3.802	
	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.V56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.51   C 0.48   

	C Shift Assignments>> 	C :: 173.691	 	CA :: 60.753	 	CB :: 34.006	 	CG1 :: 20.435	 	CG2 :: 20.467	
	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 :: 7.111	 	HA :: 4.126	 	HB :: 1.721	 	HG11 :: 0.771	 	HG12 :: 0.771	 	HG13 :: 0.771	
			 	HG21 :: 0.509	 	HG22 :: 0.509	 	HG23 :: 0.509	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 115.124	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.F57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.45   Y 0.36   C 0.17   

	C Shift Assignments>> 	C :: 171.130	 	CA :: 58.087	 	CB :: 40.858	 	CD1 :: 131.369	 	CD2 :: 131.369	
	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 :: 8.714	 	HA :: 4.318	 	HB2 :: 2.833	 	HB3 :: 2.680	 	HD1 :: 6.904	 	HD2 :: 6.904	
			 	HE1 :: 7.109	 	HE2 :: 7.109	
	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 :: 128.796	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.Y58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.78   C 0.21   

	C Shift Assignments>> 	C :: 174.624	 	CA :: 54.537	 	CB :: 41.614	 	CD1 :: 132.576	 	CD2 :: 132.576	 	CE1 :: 117.231	
			 	CE2 :: 117.231	
	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 :: 6.816	 	HA :: 5.452	 	HB2 :: 2.159	 	HB3 :: 2.730	 	HD1 :: 6.998	 	HD2 :: 6.998	
			 	HE1 :: 6.429	 	HE2 :: 6.429	
	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 :: 123.280	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.C59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.15   C 0.15   E 0.14   H 0.11   R 0.11   Q 0.11   K 0.1   I 0.03   M 0.03   V 0.01   

	C Shift Assignments>> 	C :: 173.387	 	CA :: 58.336	 	CB :: 29.739	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 9.981	 	HA :: 4.301	 	HB2 :: 3.336	 	HB3 :: 2.629	
	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 :: 122.815	
	Ave N Shift Values>> 	N :: 120.17(4.64)



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

	PRTL>>	C 0.6   E 0.36   Q 0.03   

	C Shift Assignments>> 	C :: 177.120	 	CA :: 58.882	 	CB :: 27.484	 	CG :: 35.359	 	CD :: 182.746	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.487	 	HA :: 3.950	 	HB2 :: 2.154	 	HB3 :: 2.071	 	HG2 :: 2.458	 	HG3 :: 2.181	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 119.731	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	L 0.58   C 0.38   A 0.02   

	C Shift Assignments>> 	C :: 179.707	 	CA :: 56.935	 	CB :: 41.474	 	CG :: 26.829	 	CD1 :: 24.448	 	CD2 :: 22.327	
	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 :: 7.913	 	HA :: 4.335	 	HB2 :: 1.876	 	HB3 :: 1.508	 	HG :: 1.662	 	HD11 :: 0.874	
			 	HD12 :: 0.874	 	HD13 :: 0.874	 	HD21 :: 0.829	 	HD22 :: 0.829	 	HD23 :: 0.829	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 121.926	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.C62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.45   C 0.19   P 0.16   V 0.12   W 0.04   

	C Shift Assignments>> 	C :: 178.170	 	CA :: 64.061	 	CB :: 29.191	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.476	 	HA :: 3.826	 	HB2 :: 2.794	 	HB3 :: 2.731	
	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 :: 126.338	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.R63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.49   C 0.45   G 0.05   

	C Shift Assignments>> 	C :: 177.678	 	CA :: 58.521	 	CB :: 29.786	 	CG :: 27.185	 	CD :: 43.157	 	CZ :: 159.442	
	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 :: 8.549	 	HA :: 3.732	 	HB2 :: 1.802	 	HB3 :: 1.705	 	HG2 :: 1.635	 	HG3 :: 1.544	
			 	HD2 :: 3.173	 	HD3 :: 3.173	 	HE :: 6.829	
	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 :: 117.745	 	NE :: 83.483	
	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.L64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.63   C 0.33   A 0.02   R 0.01   

	C Shift Assignments>> 	C :: 178.147	 	CA :: 56.355	 	CB :: 41.685	 	CG :: 26.496	 	CD1 :: 24.823	 	CD2 :: 22.790	
	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 :: 7.282	 	HA :: 4.150	 	HB2 :: 1.770	 	HB3 :: 1.570	 	HG :: 1.754	 	HD11 :: 0.930	
			 	HD12 :: 0.930	 	HD13 :: 0.930	 	HD21 :: 0.859	 	HD22 :: 0.859	 	HD23 :: 0.859	
	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 :: 118.350	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.296	 	CA :: 58.596	 	CB :: 63.118	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.607	 	HA :: 4.367	 	HB2 :: 3.860	 	HB3 :: 3.803	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 113.107	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.R66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.55   C 0.42   G 0.01   

	C Shift Assignments>> 	C :: 175.267	 	CA :: 55.749	 	CB :: 30.619	 	CG :: 27.015	 	CD :: 42.323	 	CZ :: 158.733	
	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 :: 7.581	 	HA :: 4.237	 	HB2 :: 1.466	 	HB3 :: 1.784	 	HG2 :: 1.397	 	HG3 :: 1.397	
			 	HD2 :: 2.572	 	HD3 :: 2.472	 	HE :: 7.041	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 121.368	 	NE :: 84.720	
	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.A67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.89   M 0.08   C 0.01   

	C Shift Assignments>> 	C :: 176.031	 	CA :: 52.006	 	CB :: 19.113	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.921	 	HA :: 4.317	 	HB1 :: 1.360	 	HB2 :: 1.360	 	HB3 :: 1.360	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 124.676	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.D68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.72   C 0.25   G 0.01   

	HN Overlap>>	 1.N21 1.N21

	C Shift Assignments>> 	C :: 180.727	 	CA :: 55.536	 	CB :: 41.915	 	CG :: 181.247	
	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 :: 7.853	 	HA :: 4.323	 	HB2 :: 2.616	 	HB3 :: 2.525	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 125.202	
	Ave N Shift Values>> 	N :: 120.65(3.86)



2.ZN1 Overall Status: Residue type ZN not supported.





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

Overall Results:

	      #Consistent:  65      #Clerical:   0      #Suspicious:   2      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

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


Shift Relative Order (SRO) Results:

	      #Consistent:  68      #Suspicious:   0


C Shift Results:

	      #Consistent: 308      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 456      #Duplicate:   0      #Unknown:   0      #Suspicious:   3      #Anomalous:   1


N Shift Results:

	      #Consistent:  71      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0



Error Summary:

1.Q26	HB2 = -0.969(A),	 Expected =  2.05, Std = 0.2500, ChiSquare = 1.4143e-33
1.Q26	HB3 = 1.025(S),	 Expected =  2.02, Std = 0.2800, ChiSquare = 3.8004e-04
1.Q26	HG3 = 0.544(S),	 Expected =  2.29, Std = 0.2900, ChiSquare = 1.7368e-09
1.D29	HB3 = 3.764(S),	 Expected =  2.66, Std = 0.2800, ChiSquare = 8.0517e-05
1.Q33	N = 106.575(S),	 Expected = 119.89, Std = 3.6000, ChiSquare = 2.1678e-04