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.S3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




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




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




1.G7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.T8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.448	 	CA :: 61.750	 	CB :: 69.895	 	CG2 :: 21.353	
	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>> 	HA :: 4.349	 	HB :: 4.205	 	HG21 :: 1.139	 	HG22 :: 1.139	 	HG23 :: 1.139	
	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)



1.A9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.77   M 0.21   

	C Shift Assignments>> 	C :: 177.476	 	CA :: 52.529	 	CB :: 19.084	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.330	 	HA :: 4.299	 	HB1 :: 1.319	 	HB2 :: 1.319	 	HB3 :: 1.319	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 126.443	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.H10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	W 0.5   H 0.49   

	C Shift Assignments>> 	CA :: 56.461	 	CB :: 30.924	 	CD2 :: 120.061	 	CE1 :: 138.446	
	Ave C Shift Values>> 	C :: 175.19(2.14) 	CA :: 56.37(2.4) 	CB :: 29.95(2.15) 	CG :: 130.59(3.41) 	CD2 :: 119.84(3.3) 	CE1 :: 136.05(3.58)

	H Shift Assignments>> 	HA :: 4.595	 	HB2 :: 3.134	 	HB3 :: 3.053	 	HD2 :: 7.012	 	HE1 :: 7.836	
	Ave H Shift Values>> 	H :: 8.25(0.74) 	HA :: 4.62(0.51) 	HB2 :: 3.12(0.43) 	HB3 :: 3.11(0.45) 	HD1 :: 10.14(3.5) 	HD2 :: 7.08(0.5)
			 	HE1 :: 8.08(0.57) 	HE2 :: 10.43(3.11)



1.G11	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.T12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.852	 	CA :: 61.962	 	CB :: 69.874	 	CG2 :: 21.490	
	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>> 	HA :: 4.365	 	HB :: 4.202	 	HG21 :: 1.153	 	HG22 :: 1.153	 	HG23 :: 1.153	
	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)



1.T13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 173.983	 	CA :: 61.969	 	CB :: 69.768	 	CG2 :: 21.353	
	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 :: 8.117	 	HA :: 4.277	 	HB :: 4.104	 	HG21 :: 1.118	 	HG22 :: 1.118	 	HG23 :: 1.118	
	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 :: 116.290	
	Ave N Shift Values>> 	N :: 115.7(5.05)



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

	PRTL>>	F 0.99   

	C Shift Assignments>> 	C :: 175.215	 	CA :: 57.428	 	CB :: 39.652	 	CD1 :: 131.846	 	CD2 :: 131.846	 	CE1 :: 131.375	
			 	CE2 :: 131.375	 	CZ :: 129.853	
	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 :: 8.171	 	HA :: 4.691	 	HB2 :: 2.935	 	HB3 :: 3.156	 	HD1 :: 7.213	 	HD2 :: 7.213	
			 	HE1 :: 7.311	 	HE2 :: 7.311	 	HZ :: 7.270	
	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 :: 122.281	
	Ave N Shift Values>> 	N :: 120.69(4.18)



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

	PRTL>>	E 0.62   M 0.25   I 0.06   K 0.03   Q 0.01   

	C Shift Assignments>> 	C :: 175.155	 	CA :: 56.241	 	CB :: 31.309	 	CG :: 36.884	
	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 :: 8.196	 	HA :: 4.423	 	HB2 :: 1.794	 	HB3 :: 1.980	 	HG2 :: 2.324	 	HG3 :: 2.177	
	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 :: 121.955	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.L16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.51   L 0.43   R 0.02   A 0.02   

	C Shift Assignments>> 	C :: 176.609	 	CA :: 53.870	 	CB :: 44.999	 	CG :: 26.948	 	CD1 :: 25.596	 	CD2 :: 23.593	
	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 :: 8.196	 	HA :: 4.623	 	HB2 :: 1.503	 	HB3 :: 1.690	 	HG :: 1.602	 	HD11 :: 0.870	
			 	HD12 :: 0.870	 	HD13 :: 0.870	 	HD21 :: 0.882	 	HD22 :: 0.882	 	HD23 :: 0.882	
	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 :: 121.730	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.V17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 173.031	 	CA :: 60.848	 	CB :: 30.204	 	CG1 :: 21.726	 	CG2 :: 18.653	
	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 :: 7.548	 	HA :: 4.329	 	HB :: 1.971	 	HG11 :: 0.796	 	HG12 :: 0.796	 	HG13 :: 0.796	
			 	HG21 :: 0.796	 	HG22 :: 0.796	 	HG23 :: 0.796	
	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 :: 115.163	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.P18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 177.438	 	CA :: 63.896	 	CB :: 31.888	 	CG :: 27.768	 	CD :: 50.696	
	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 :: 4.591	 	HB2 :: 1.793	 	HB3 :: 2.419	 	HG2 :: 2.047	 	HG3 :: 1.580	 	HD2 :: 3.142	
			 	HD3 :: 3.715	
	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.T19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 173.418	 	CA :: 60.746	 	CB :: 68.636	 	CG2 :: 21.917	
	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 :: 8.263	 	HA :: 4.455	 	HB :: 4.733	 	HG21 :: 1.142	 	HG22 :: 1.142	 	HG23 :: 1.142	
	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 :: 108.939	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.S20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 171.184	 	CA :: 57.182	 	CB :: 64.265	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.689	 	HA :: 4.953	 	HB2 :: 3.659	 	HB3 :: 4.330	
	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 :: 116.493	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 61.300	 	CB :: 30.059	 	CG :: 26.681	 	CD :: 50.765	
	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 :: 5.108	 	HB2 :: 1.973	 	HB3 :: 1.877	 	HG2 :: 1.973	 	HG3 :: 2.041	 	HD2 :: 3.906	
			 	HD3 :: 3.805	
	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.P22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 173.842	 	CA :: 63.601	 	CB :: 31.715	 	CG :: 29.479	 	CD :: 50.141	
	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 :: 4.364	 	HB2 :: 1.456	 	HB3 :: 2.489	 	HG2 :: 1.767	 	HG3 :: 1.723	 	HD2 :: 3.489	
			 	HD3 :: 4.328	
	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.K23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.62   R 0.31   M 0.03   G 0.01   

	C Shift Assignments>> 	C :: 174.569	 	CA :: 54.870	 	CB :: 36.326	 	CG :: 24.640	 	CD :: 29.247	 	CE :: 41.814	
	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 :: 7.920	 	HA :: 4.660	 	HB2 :: 1.743	 	HB3 :: 1.598	 	HG2 :: 1.401	 	HG3 :: 1.547	
			 	HD2 :: 1.774	 	HD3 :: 1.696	 	HE2 :: 3.061	 	HE3 :: 3.008	
	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 :: 119.300	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.D24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.25   N 0.23   Y 0.18   F 0.16   L 0.09   I 0.01   E 0.01   K 0.01   

	C Shift Assignments>> 	C :: 174.589	 	CA :: 54.996	 	CB :: 39.400	
	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 :: 8.613	 	HA :: 4.186	 	HB2 :: 2.493	 	HB3 :: 2.779	
	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 :: 117.333	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 177.559	 	CA :: 63.779	 	CB :: 31.404	 	CG1 :: 20.812	 	CG2 :: 20.711	
	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 :: 8.026	 	HA :: 4.593	 	HB :: 2.101	 	HG11 :: 0.824	 	HG12 :: 0.824	 	HG13 :: 0.824	
			 	HG21 :: 0.906	 	HG22 :: 0.906	 	HG23 :: 0.906	
	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 :: 118.948	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.T26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 172.145	 	CA :: 60.603	 	CB :: 72.892	 	CG2 :: 21.328	
	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 :: 9.415	 	HA :: 4.675	 	HB :: 4.051	 	HG21 :: 1.127	 	HG22 :: 1.127	 	HG23 :: 1.127	
	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 :: 121.230	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.V27	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.98   I 0.01   

	C Shift Assignments>> 	C :: 173.620	 	CA :: 60.890	 	CB :: 34.425	 	CG1 :: 22.145	 	CG2 :: 20.357	
	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 :: 8.233	 	HA :: 4.523	 	HB :: 1.262	 	HG11 :: -0.384(S)	 	HG12 :: -0.384(S)	 	HG13 :: -0.384(S)	
			 	HG21 :: 0.235	 	HG22 :: 0.235	 	HG23 :: 0.235	
	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 :: 122.581	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	V 0.85   I 0.08   A 0.06   

	C Shift Assignments>> 	C :: 174.327	 	CA :: 59.046	 	CB :: 36.186	 	CG1 :: 21.212	 	CG2 :: 19.457	
	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 :: 8.162	 	HA :: 4.372	 	HB :: 2.065	 	HG11 :: 0.826	 	HG12 :: 0.826	 	HG13 :: 0.826	
			 	HG21 :: 0.705	 	HG22 :: 0.705	 	HG23 :: 0.705	
	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 :: 118.715	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.529	 	CA :: 59.151	 	CB :: 64.418	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.482	 	HA :: 4.503	 	HB2 :: 3.885	 	HB3 :: 3.829	
	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 :: 117.110	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.K30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.55   R 0.36   M 0.06   G 0.02   

	C Shift Assignments>> 	C :: 176.003	 	CA :: 55.829	 	CB :: 33.472	 	CG :: 25.110	 	CD :: 29.917	 	CE :: 42.325	
	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 :: 7.646	 	HA :: 4.079	 	HB2 :: 1.115	 	HB3 :: 2.003	 	HG2 :: 1.298	 	HG3 :: 1.275	
			 	HD2 :: 1.549	 	HD3 :: 1.465	 	HE2 :: 2.965	 	HE3 :: 2.937	
	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 :: 126.206	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.E31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.47   I 0.18   K 0.18   Q 0.1   M 0.03   

	C Shift Assignments>> 	C :: 177.498	 	CA :: 58.659	 	CB :: 29.137	 	CG :: 35.847	
	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 :: 8.847	 	HA :: 3.942	 	HB2 :: 1.985	 	HB3 :: 1.904	 	HG2 :: 2.241	 	HG3 :: 2.241	
	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 :: 131.515	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.G32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.87   L 0.08   R 0.02   

	C Shift Assignments>> 	C :: 173.923	 	CA :: 45.578	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.805	 	HA2 :: 3.779	 	HA3 :: 4.191	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 114.251	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.K33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.58   R 0.24   G 0.07   M 0.05   A 0.03   

	C Shift Assignments>> 	C :: 172.727	 	CA :: 52.720	 	CB :: 33.121	 	CG :: 23.924	 	CD :: 28.898	 	CE :: 42.635	
	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 :: 7.657	 	HA :: 4.949	 	HB2 :: 1.464	 	HB3 :: 1.811	 	HG2 :: 1.333	 	HG3 :: 1.302	
			 	HD2 :: 1.617	 	HD3 :: 1.767	 	HE2 :: 2.981	
	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 :: 120.458	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



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

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 177.054	 	CA :: 64.949	 	CB :: 32.268	 	CG :: 27.309	 	CD :: 49.958	
	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 :: 4.405	 	HB2 :: 1.917	 	HB3 :: 2.250	 	HG2 :: 2.025	 	HG3 :: 1.903	 	HD2 :: 3.391	
			 	HD3 :: 3.833	
	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.K35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.47   K 0.46   M 0.03   G 0.01   

	C Shift Assignments>> 	C :: 174.912	 	CA :: 56.838	 	CB :: 32.400	 	CG :: 26.204	 	CD :: 29.936	 	CE :: 42.240	
	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 :: 4.179	 	HB2 :: 1.840	 	HB3 :: 2.262	 	HG2 :: 1.416	 	HG3 :: 1.366	
			 	HD2 :: 1.724	 	HD3 :: 1.724	
	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 :: 116.731	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.T36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.569	 	CA :: 61.368	 	CB :: 70.323	 	CG2 :: 22.913	
	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 :: 8.315	 	HA :: 5.282	 	HB :: 4.145	 	HG21 :: 0.996	 	HG22 :: 0.996	 	HG23 :: 0.996	
	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 :: 113.996	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.I37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.68   A 0.27   G 0.03   

	C Shift Assignments>> 	C :: 173.862	 	CA :: 58.134	 	CB :: 41.315	 	CG1 :: 26.531	 	CG2 :: 20.362	 	CD1 :: 16.282	
	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 :: 8.817	 	HA :: 4.798	 	HB :: 1.212	 	HG12 :: 1.037	 	HG13 :: 0.688	 	HG21 :: 0.379	
			 	HG22 :: 0.379	 	HG23 :: 0.379	 	HD11 :: 0.217	 	HD12 :: 0.217	 	HD13 :: 0.217	
	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 :: 122.520	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 174.468	 	CA :: 60.442	 	CB :: 39.458	 	CG1 :: 27.540	 	CG2 :: 18.026	 	CD1 :: 13.706	
	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 :: 8.813	 	HA :: 4.317	 	HB :: 1.458	 	HG12 :: 1.200	 	HG13 :: 0.813	 	HG21 :: 0.632	
			 	HG22 :: 0.632	 	HG23 :: 0.632	 	HD11 :: 0.670	 	HD12 :: 0.670	 	HD13 :: 0.670	
	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 :: 121.946	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 174.104	 	CA :: 59.957	 	CB :: 33.660	 	CG1 :: 21.738	 	CG2 :: 21.859	
	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 :: 8.922	 	HA :: 4.780	 	HB :: 1.966	 	HG11 :: 0.941	 	HG12 :: 0.941	 	HG13 :: 0.941	
			 	HG21 :: 0.536	 	HG22 :: 0.536	 	HG23 :: 0.536	
	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 :: 128.453	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.N40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.33   R 0.19   D 0.18   G 0.16   K 0.04   F 0.02   N 0.02   Y 0.02   

	C Shift Assignments>> 	C :: 173.599	 	CA :: 52.593	 	CB :: 43.355	
	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 :: 9.047	 	HA :: 5.454	 	HB2 :: 2.588	 	HB3 :: 2.555	 	HD21 :: 7.223	 	HD22 :: 6.312	
	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 :: 124.702	 	ND2 :: 113.405	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.W41	Overall: Anomalous 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	W 0.98   H 0.01   

	C Shift Assignments>> 	C :: 172.630	 	CA :: 57.314	 	CB :: 30.719	 	CD1 :: 125.084	 	CE3 :: 121.025	 	CZ2 :: 114.475	
			 	CZ3 :: 120.725	 	CH2 :: 122.823	
	Ave C Shift Values>> 	C :: 176.1(1.89) 	CA :: 57.71(2.65) 	CB :: 30.16(2.19) 	CG :: 110.37(1.55) 	CD1 :: 126.16(1.76) 	CD2 :: 127.4(1.33)
			 	CE2 :: 137.38(2.86) 	CE3 :: 120.38(1.5) 	CZ2 :: 114.19(1.09) 	CZ3 :: 121.57(1.76) 	CH2 :: 123.75(1.34)

	H Shift Assignments>> 	H :: 7.610	 	HA :: 5.000	 	HB2 :: 3.010	 	HB3 :: 3.391	 	HD1 :: 6.396	 	HE1 :: 6.028(A)	
			 	HE3 :: 6.794	 	HZ2 :: 6.920	 	HZ3 :: 6.522	 	HH2 :: 6.556	
	Ave H Shift Values>> 	H :: 8.35(0.84) 	HA :: 4.74(0.55) 	HB2 :: 3.22(0.36) 	HB3 :: 3.18(0.36) 	HD1 :: 7.16(0.34) 	HE1 :: 10.13(0.53)
			 	HE3 :: 7.17(1.03) 	HZ2 :: 7.14(0.89) 	HZ3 :: 6.68(1.02) 	HH2 :: 6.82(0.94)

	N Shift Assignments>> 	N :: 116.840	 	NE1 :: 124.576	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)

	SRO Rule Breaks>>  	(HE1 > HD1 : 0.9930) 	(HE1 > HZ3 : 0.9924)


1.Q42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.34   M 0.31   K 0.24   E 0.05   R 0.04   

	C Shift Assignments>> 	C :: 173.681	 	CA :: 52.470	 	CB :: 30.171	 	CG :: 33.333	
	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 :: 8.903	 	HA :: 4.850	 	HB2 :: 1.564	 	HB3 :: 2.259	 	HG2 :: 2.546	 	HG3 :: 2.315	
			 	HE21 :: 7.523	 	HE22 :: 6.758	
	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 :: 115.207	 	NE2 :: 113.685	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.P43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 61.702	 	CB :: 30.662	 	CG :: 27.603	 	CD :: 50.726	
	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 :: 5.098	 	HB2 :: 2.539	 	HB3 :: 1.901	 	HG2 :: 2.170	 	HG3 :: 2.170	 	HD2 :: 3.797	
			 	HD3 :: 3.685	
	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.P44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 177.074	 	CA :: 61.552	 	CB :: 32.586	 	CG :: 28.037	 	CD :: 50.869	
	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 :: 4.406	 	HB2 :: 2.135	 	HB3 :: 1.494	 	HG2 :: 1.854	 	HG3 :: 1.669	 	HD2 :: 3.836	
	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.S45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.599	 	CA :: 60.651	 	CB :: 63.093	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.738	 	HA :: 4.251	 	HB2 :: 3.909	 	HB3 :: 3.846	
	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 :: 117.038	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.E46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.33   Q 0.32   E 0.25   R 0.04   M 0.02   I 0.01   

	HN Overlap>>	 1.D61 1.D61

	C Shift Assignments>> 	C :: 175.013	 	CA :: 53.769	 	CB :: 27.976	 	CG :: 35.192	
	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 :: 8.003	 	HA :: 4.577	 	HB2 :: 1.760	 	HB3 :: 2.008	 	HG2 :: 2.173	 	HG3 :: 2.086	
	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 :: 121.604	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	M 0.49   A 0.41   L 0.03   V 0.02   I 0.01   T 0.01   

	C Shift Assignments>> 	C :: 176.953	 	CA :: 55.105	 	CB :: 19.652	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.395	 	HA :: 3.818	 	HB1 :: 1.531	 	HB2 :: 1.531	 	HB3 :: 1.531	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.196	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.N48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.48   Y 0.13   E 0.12   F 0.07   D 0.07   M 0.06   K 0.01   I 0.01   L 0.01   

	C Shift Assignments>> 	C :: 173.216	 	CA :: 53.812	 	CB :: 37.214	
	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 :: 8.305	 	HA :: 4.284	 	HB2 :: 2.740	 	HB3 :: 2.740	 	HD21 :: 7.971	 	HD22 :: 7.067	
	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 :: 107.739	 	ND2 :: 117.316	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.G49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.34   L 0.27   R 0.27   F 0.03   D 0.03   Y 0.02   K 0.01   

	C Shift Assignments>> 	C :: 172.549	 	CA :: 44.168	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.520	 	HA2 :: 3.815	 	HA3 :: 4.181	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 104.382	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	K 0.6   R 0.31   M 0.05   G 0.01   

	C Shift Assignments>> 	C :: 176.609	 	CA :: 56.340	 	CB :: 32.671	 	CG :: 24.776	 	CD :: 29.092	 	CE :: 42.172	
	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 :: 8.357	 	HA :: 4.234	 	HB2 :: 1.761	 	HB3 :: 1.761	 	HG2 :: 1.328	 	HG3 :: 1.493	
	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 :: 120.727	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



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

	PRTL>>	I 0.98   

	C Shift Assignments>> 	C :: 177.336	 	CA :: 59.927	 	CB :: 36.459	 	CG1 :: 27.259	 	CG2 :: 18.184	 	CD1 :: 10.811	
	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 :: 8.620	 	HA :: 4.224	 	HB :: 2.034	 	HG12 :: 1.643	 	HG13 :: 1.551	 	HG21 :: 0.837	
			 	HG22 :: 0.837	 	HG23 :: 0.837	 	HD11 :: 0.778	 	HD12 :: 0.778	 	HD13 :: 0.778	
	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 :: 126.810	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.T52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.559	 	CA :: 60.839	 	CB :: 68.946	 	CG2 :: 22.462	
	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 :: 8.826	 	HA :: 4.417	 	HB :: 4.303	 	HG21 :: 1.101	 	HG22 :: 1.101	 	HG23 :: 1.101	
	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 :: 116.823	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.G53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.86   L 0.08   R 0.02   

	C Shift Assignments>> 	C :: 169.519	 	CA :: 45.477	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.444	 	HA2 :: 4.580	 	HA3 :: 4.208	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.855	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.Y54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.34   L 0.29   K 0.09   F 0.07   D 0.06   G 0.05   Y 0.05   

	C Shift Assignments>> 	C :: 174.630	 	CA :: 56.399	 	CB :: 43.358	
	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 :: 8.807	 	HA :: 5.334	 	HB2 :: 2.489	 	HB3 :: 2.401	
	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 :: 113.235	
	Ave N Shift Values>> 	N :: 120.79(4.69)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 174.024	 	CA :: 62.140	 	CB :: 40.449	 	CG1 :: 28.434	 	CG2 :: 19.858	 	CD1 :: 13.580	
	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 :: 8.992	 	HA :: 4.126	 	HB :: 1.705	 	HG12 :: 1.271	 	HG13 :: 0.912	 	HG21 :: 0.159	
			 	HG22 :: 0.159	 	HG23 :: 0.159	 	HD11 :: 0.730	 	HD12 :: 0.730	 	HD13 :: 0.730	
	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 :: 120.989	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.I56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 173.034	 	CA :: 60.410	 	CB :: 39.394	 	CG1 :: 28.201	 	CG2 :: 17.287	 	CD1 :: 15.024	
	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 :: 4.520	 	HB :: 1.922	 	HG12 :: 1.256	 	HG13 :: 0.431	 	HG21 :: 1.039	
			 	HG22 :: 1.039	 	HG23 :: 1.039	 	HD11 :: 0.651	 	HD12 :: 0.651	 	HD13 :: 0.651	
	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 :: 126.737	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.Y57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.98   G 0.01   

	C Shift Assignments>> 	C :: 176.791	 	CA :: 55.488	 	CB :: 41.579	 	CD1 :: 133.494	 	CD2 :: 133.494	 	CE1 :: 117.605	
			 	CE2 :: 117.605	
	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 :: 9.494	 	HA :: 5.938	 	HB2 :: 2.948	 	HB3 :: 2.622	 	HD1 :: 6.762	 	HD2 :: 6.762	
			 	HE1 :: 6.526	 	HE2 :: 6.526	
	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 :: 125.955	
	Ave N Shift Values>> 	N :: 120.79(4.69)



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

	PRTL>>	Y 0.73   G 0.26   

	C Shift Assignments>> 	C :: 174.165	 	CA :: 56.375	 	CB :: 43.442	 	CD1 :: 132.901	 	CD2 :: 132.901	 	CE1 :: 118.056	
			 	CE2 :: 118.056	
	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 :: 9.587	 	HA :: 6.327	 	HB2 :: 2.753	 	HB3 :: 2.279	 	HD1 :: 6.776	 	HD2 :: 6.776	
			 	HE1 :: 6.683	 	HE2 :: 6.683	
	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 :: 118.946	
	Ave N Shift Values>> 	N :: 120.79(4.69)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.084	 	CA :: 55.311	 	CB :: 63.889	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.998	 	HA :: 4.598	 	HB2 :: 2.419(S)	 	HB3 :: 1.246(A)	
	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 :: 111.764	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.T60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 174.165	 	CA :: 61.766	 	CB :: 69.048	 	CG2 :: 21.986	
	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 :: 8.104	 	HA :: 4.602	 	HB :: 4.329	 	HG21 :: 0.696	 	HG22 :: 0.696	 	HG23 :: 0.696	
	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 :: 113.076	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.D61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.29   D 0.28   R 0.13   K 0.09   N 0.07   G 0.04   F 0.04   Y 0.02   

	HN Overlap>>	 1.E46 1.E46

	C Shift Assignments>> 	C :: 176.246	 	CA :: 52.459	 	CB :: 42.529	
	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 :: 8.107	 	HA :: 4.776	 	HB2 :: 2.433	 	HB3 :: 2.380	
	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 :: 121.642	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.V62	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 174.306	 	CA :: 63.489	 	CB :: 30.715	 	CG1 :: 18.013	 	CG2 :: 23.363	
	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 :: 7.671	 	HA :: 3.400	 	HB :: -0.022(S)	 	HG11 :: 0.499	 	HG12 :: 0.499	 	HG13 :: 0.499	
			 	HG21 :: 0.780	 	HG22 :: 0.780	 	HG23 :: 0.780	
	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 :: 129.091	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.N63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.46   D 0.29   Y 0.07   F 0.07   L 0.07   

	C Shift Assignments>> 	C :: 175.397	 	CA :: 52.841	 	CB :: 39.466	
	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 :: 8.003	 	HA :: 4.774	 	HB2 :: 2.622	 	HB3 :: 2.854	 	HD21 :: 7.807	 	HD22 :: 6.853	
	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 :: 115.921	 	ND2 :: 115.385	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.A64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.74   M 0.25   

	HN Overlap>>	 1.Q82 1.Q82

	C Shift Assignments>> 	C :: 178.852	 	CA :: 52.694	 	CB :: 18.372	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.137	 	HA :: 4.148	 	HB1 :: 1.301	 	HB2 :: 1.301	 	HB3 :: 1.301	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.824	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.E65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.62   I 0.14   K 0.1   M 0.09   Q 0.03   

	C Shift Assignments>> 	C :: 179.397	 	CA :: 57.028	 	CB :: 29.959	 	CG :: 36.763	
	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 :: 9.182	 	HA :: 4.083	 	HB2 :: 1.683	 	HB3 :: 2.016	 	HG2 :: 2.366	 	HG3 :: 2.477	
	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 :: 124.971	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.I66	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 176.650	 	CA :: 61.456	 	CB :: 38.098	 	CG1 :: 28.263	 	CG2 :: 18.000	 	CD1 :: 12.213	
	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 :: 8.446	 	HA :: 3.691	 	HB :: 1.451	 	HG12 :: 0.779	 	HG13 :: 0.685	 	HG21 :: 0.621	
			 	HG22 :: 0.621	 	HG23 :: 0.621	 	HD11 :: -0.383(S)	 	HD12 :: -0.383(S)	 	HD13 :: -0.383(S)	
	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 :: 122.032	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.H67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.51   H 0.48   

	C Shift Assignments>> 	C :: 175.498	 	CA :: 58.011	 	CB :: 29.179	 	CD2 :: 119.800	 	CE1 :: 138.513	
	Ave C Shift Values>> 	C :: 175.19(2.14) 	CA :: 56.37(2.4) 	CB :: 29.95(2.15) 	CG :: 130.59(3.41) 	CD2 :: 119.84(3.3) 	CE1 :: 136.05(3.58)

	H Shift Assignments>> 	H :: 7.526	 	HA :: 4.549	 	HB2 :: 3.291	 	HB3 :: 3.140	 	HD2 :: 7.077	 	HE1 :: 7.899	
	Ave H Shift Values>> 	H :: 8.25(0.74) 	HA :: 4.62(0.51) 	HB2 :: 3.12(0.43) 	HB3 :: 3.11(0.45) 	HD1 :: 10.14(3.5) 	HD2 :: 7.08(0.5)
			 	HE1 :: 8.08(0.57) 	HE2 :: 10.43(3.11)

	N Shift Assignments>> 	N :: 117.778	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



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

	PRTL>>	L 0.25   D 0.25   K 0.18   F 0.08   R 0.08   Y 0.06   N 0.05   

	C Shift Assignments>> 	C :: 177.619	 	CA :: 54.605	 	CB :: 41.708	
	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 :: 8.328	 	HA :: 4.991	 	HB2 :: 2.703	 	HB3 :: 2.890	
	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 :: 118.722	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.W69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.96   H 0.03   

	C Shift Assignments>> 	C :: 175.195	 	CA :: 58.709	 	CB :: 28.168	 	CD1 :: 127.948	 	CE3 :: 120.516	 	CZ2 :: 114.285	
			 	CZ3 :: 121.543	 	CH2 :: 122.781	
	Ave C Shift Values>> 	C :: 176.1(1.89) 	CA :: 57.71(2.65) 	CB :: 30.16(2.19) 	CG :: 110.37(1.55) 	CD1 :: 126.16(1.76) 	CD2 :: 127.4(1.33)
			 	CE2 :: 137.38(2.86) 	CE3 :: 120.38(1.5) 	CZ2 :: 114.19(1.09) 	CZ3 :: 121.57(1.76) 	CH2 :: 123.75(1.34)

	H Shift Assignments>> 	H :: 8.052	 	HA :: 4.406	 	HB2 :: 3.315	 	HB3 :: 3.254	 	HD1 :: 7.495	 	HE1 :: 9.618	
			 	HE3 :: 7.095	 	HZ2 :: 7.506	 	HZ3 :: 6.786	 	HH2 :: 6.726	
	Ave H Shift Values>> 	H :: 8.35(0.84) 	HA :: 4.74(0.55) 	HB2 :: 3.22(0.36) 	HB3 :: 3.18(0.36) 	HD1 :: 7.16(0.34) 	HE1 :: 10.13(0.53)
			 	HE3 :: 7.17(1.03) 	HZ2 :: 7.14(0.89) 	HZ3 :: 6.68(1.02) 	HH2 :: 6.82(0.94)

	N Shift Assignments>> 	N :: 124.434	 	NE1 :: 130.418	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)



1.V70	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 175.236	 	CA :: 63.604	 	CB :: 31.148	 	CG1 :: 22.626	 	CG2 :: 21.879	
	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 :: 9.187	 	HA :: 3.745	 	HB :: 0.564(S)	 	HG11 :: 0.841	 	HG12 :: 0.841	 	HG13 :: 0.841	
			 	HG21 :: 0.767	 	HG22 :: 0.767	 	HG23 :: 0.767	
	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 :: 125.577	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 176.306	 	CA :: 60.975	 	CB :: 40.124	 	CG1 :: 27.834	 	CG2 :: 17.476	 	CD1 :: 14.205	
	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 :: 7.943	 	HA :: 4.438	 	HB :: 1.552	 	HG12 :: 0.791	 	HG13 :: 1.592	 	HG21 :: 0.578	
			 	HG22 :: 0.578	 	HG23 :: 0.578	 	HD11 :: 0.902	 	HD12 :: 0.902	 	HD13 :: 0.902	
	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 :: 123.916	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.59   E 0.28   Q 0.08   K 0.03   

	C Shift Assignments>> 	C :: 172.909	 	CA :: 52.735	 	CB :: 31.796	 	CG :: 35.710	
	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 :: 9.456	 	HA :: 5.032	 	HB2 :: 2.106	 	HB3 :: 1.945	 	HG2 :: 2.355	 	HG3 :: 2.255	
	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 :: 129.854	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.P73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 175.842	 	CA :: 62.681	 	CB :: 32.644	 	CG :: 27.269	 	CD :: 51.049	
	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 :: 4.558	 	HB2 :: 1.864	 	HB3 :: 2.200	 	HG2 :: 1.873	 	HG3 :: 2.150	 	HD2 :: 3.841	
			 	HD3 :: 3.624	
	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.V74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 175.660	 	CA :: 61.601	 	CB :: 34.274	 	CG1 :: 20.848	 	CG2 :: 19.999	
	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 :: 8.634	 	HA :: 4.089	 	HB :: 2.099	 	HG11 :: 1.169	 	HG12 :: 1.169	 	HG13 :: 1.169	
			 	HG21 :: 0.526	 	HG22 :: 0.526	 	HG23 :: 0.526	
	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 :: 122.482	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.V75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 176.528	 	CA :: 63.527	 	CB :: 32.095	 	CG1 :: 21.248	 	CG2 :: 21.080	
	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 :: 8.609	 	HA :: 4.240	 	HB :: 2.147	 	HG11 :: 1.041	 	HG12 :: 1.041	 	HG13 :: 1.041	
			 	HG21 :: 1.050	 	HG22 :: 1.050	 	HG23 :: 1.050	
	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 :: 127.509	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.G76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.52   L 0.22   R 0.17   F 0.02   D 0.02   Y 0.01   

	C Shift Assignments>> 	C :: 172.367	 	CA :: 44.531	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.944	 	HA2 :: 3.681	 	HA3 :: 4.215	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 114.048	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.N77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.7   Y 0.06   D 0.06   E 0.05   M 0.05   F 0.03   K 0.01   

	C Shift Assignments>> 	C :: 175.296	 	CA :: 52.077	 	CB :: 37.059	
	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 :: 8.245	 	HA :: 4.985	 	HB2 :: 2.942	 	HB3 :: 2.827	 	HD21 :: 7.504	 	HD22 :: 6.606	
	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 :: 116.524	 	ND2 :: 109.649	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.R78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.58   K 0.21   G 0.19   

	C Shift Assignments>> 	C :: 173.599	 	CA :: 55.256	 	CB :: 32.538	 	CG :: 27.517	 	CD :: 43.707	
	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 :: 7.573	 	HA :: 4.343	 	HB2 :: 1.897	 	HB3 :: 1.753	 	HG2 :: 1.709	 	HG3 :: 1.709	
			 	HD2 :: 3.376	 	HD3 :: 3.329	
	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 :: 121.953	
	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.L79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.71   A 0.25   R 0.02   

	C Shift Assignments>> 	C :: 174.185	 	CA :: 52.912	 	CB :: 40.995	 	CG :: 26.730	 	CD1 :: 25.911	 	CD2 :: 22.155	
	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 :: 7.554	 	HA :: 3.061	 	HB2 :: 1.702	 	HB3 :: 0.897	 	HG :: 1.277	 	HD11 :: 0.846	
			 	HD12 :: 0.846	 	HD13 :: 0.846	 	HD21 :: 0.465	 	HD22 :: 0.465	 	HD23 :: 0.465	
	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 :: 116.626	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.T80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.79   A 0.2   

	C Shift Assignments>> 	C :: 172.407	 	CA :: 58.446	 	CB :: 70.767	 	CG2 :: 18.974	
	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 :: 6.492	 	HA :: 5.012	 	HB :: 3.707	 	HG21 :: 0.902	 	HG22 :: 0.902	 	HG23 :: 0.902	
	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 :: 110.711	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.H81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.73   W 0.24   Y 0.02   

	C Shift Assignments>> 	C :: 172.347	 	CA :: 56.487	 	CB :: 35.693	 	CD2 :: 117.325	 	CE1 :: 139.655	
	Ave C Shift Values>> 	C :: 175.19(2.14) 	CA :: 56.37(2.4) 	CB :: 29.95(2.15) 	CG :: 130.59(3.41) 	CD2 :: 119.84(3.3) 	CE1 :: 136.05(3.58)

	H Shift Assignments>> 	H :: 8.819	 	HA :: 4.889	 	HB2 :: 2.629	 	HB3 :: 3.364	 	HD2 :: 6.360	 	HE1 :: 7.974	
	Ave H Shift Values>> 	H :: 8.25(0.74) 	HA :: 4.62(0.51) 	HB2 :: 3.12(0.43) 	HB3 :: 3.11(0.45) 	HD1 :: 10.14(3.5) 	HD2 :: 7.08(0.5)
			 	HE1 :: 8.08(0.57) 	HE2 :: 10.43(3.11)

	N Shift Assignments>> 	N :: 124.574	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.Q82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.39   Q 0.26   E 0.21   K 0.11   

	HN Overlap>>	 1.A64 1.A64

	C Shift Assignments>> 	C :: 174.246	 	CA :: 54.003	 	CB :: 31.017	 	CG :: 34.583	
	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 :: 7.180	 	HA :: 5.246	 	HB2 :: 1.668	 	HB3 :: 1.668	 	HG2 :: 2.195	 	HG3 :: 1.988	
			 	HE21 :: 7.239	 	HE22 :: 6.823	
	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 :: 123.825	 	NE2 :: 110.601	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.I83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 173.842	 	CA :: 60.905	 	CB :: 40.090	 	CG1 :: 28.196	 	CG2 :: 17.430	 	CD1 :: 13.983	
	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 :: 8.321	 	HA :: 4.104	 	HB :: 1.216	 	HG12 :: 1.334	 	HG13 :: 0.877	 	HG21 :: 0.666	
			 	HG22 :: 0.666	 	HG23 :: 0.666	 	HD11 :: 0.724	 	HD12 :: 0.724	 	HD13 :: 0.724	
	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 :: 123.580	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.Q84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.59   Q 0.21   E 0.15   K 0.03   

	C Shift Assignments>> 	C :: 174.569	 	CA :: 54.723	 	CB :: 32.282	 	CG :: 34.187	
	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 :: 8.413	 	HA :: 4.943	 	HB2 :: 1.965	 	HB3 :: 2.175	 	HG2 :: 2.329	 	HG3 :: 2.206	
			 	HE21 :: 7.567	 	HE22 :: 6.811	
	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 :: 123.398	 	NE2 :: 112.442	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.E85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.36   I 0.28   K 0.2   Q 0.08   M 0.02   R 0.02   L 0.01   

	C Shift Assignments>> 	C :: 176.003	 	CA :: 56.954	 	CB :: 26.614	 	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 :: 8.152	 	HA :: 3.744	 	HB2 :: 2.029	 	HB3 :: 2.315	 	HG2 :: 2.297	 	HG3 :: 2.111	
	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 :: 112.532	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.L86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.66   A 0.29   R 0.04   

	C Shift Assignments>> 	C :: 176.670	 	CA :: 55.152	 	CB :: 40.770	 	CG :: 27.015	 	CD1 :: 25.818	 	CD2 :: 21.329	
	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 :: 8.794	 	HA :: 4.387	 	HB2 :: 1.370	 	HB3 :: 1.370	 	HG :: 1.234	 	HD11 :: 0.084	
			 	HD12 :: 0.084	 	HD13 :: 0.084	 	HD21 :: 0.229	 	HD22 :: 0.229	 	HD23 :: 0.229	
	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 :: 121.184	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.T87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.579	 	CA :: 62.608	 	CB :: 69.668	 	CG2 :: 22.475	
	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 :: 8.424	 	HA :: 4.281	 	HB :: 4.182	 	HG21 :: 1.408	 	HG22 :: 1.408	 	HG23 :: 1.408	
	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 :: 114.980	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.L88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.87   R 0.06   A 0.05   

	C Shift Assignments>> 	C :: 178.185	 	CA :: 55.723	 	CB :: 41.021	 	CG :: 26.977	 	CD1 :: 25.852	 	CD2 :: 22.697	
	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 :: 8.540	 	HA :: 4.155	 	HB2 :: 1.838	 	HB3 :: 1.714	 	HG :: 1.702	 	HD11 :: 0.903	
			 	HD12 :: 0.903	 	HD13 :: 0.903	 	HD21 :: 0.721	 	HD22 :: 0.721	 	HD23 :: 0.721	
	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 :: 124.939	
	Ave N Shift Values>> 	N :: 121.98(4.07)



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

	PRTL>>	D 0.31   L 0.21   K 0.13   N 0.11   F 0.09   Y 0.07   R 0.03   

	C Shift Assignments>> 	C :: 174.731	 	CA :: 54.139	 	CB :: 41.177	
	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 :: 7.997	 	HA :: 4.299	 	HB2 :: 2.030	 	HB3 :: 3.001	
	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 :: 125.862	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.T90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.97   A 0.02   

	C Shift Assignments>> 	C :: 171.306	 	CA :: 60.791	 	CB :: 73.717	 	CG2 :: 19.506	
	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 :: 8.186	 	HB :: 3.757	 	HG21 :: 0.663	 	HG22 :: 0.663	 	HG23 :: 0.663	
	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 :: 113.471	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.P91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 174.104	 	CA :: 62.294	 	CB :: 31.186	 	CG :: 27.751	 	CD :: 51.639	
	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 :: 4.504	 	HB2 :: 2.035	 	HB3 :: 1.822	 	HG2 :: 2.249	 	HG3 :: 1.790	 	HD2 :: 3.694	
			 	HD3 :: 3.642	
	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.Y92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.86   Y 0.13   

	C Shift Assignments>> 	C :: 173.741	 	CA :: 57.669	 	CB :: 45.363	 	CD1 :: 132.954	 	CD2 :: 132.954	 	CE1 :: 118.650	
			 	CE2 :: 118.650	
	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 :: 8.833	 	HA :: 4.630	 	HB2 :: 2.525	 	HB3 :: 2.931	 	HD1 :: 7.013	 	HD2 :: 7.013	
			 	HE1 :: 6.977	 	HE2 :: 6.977	
	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 :: 123.535	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.Y93	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.97   G 0.02   

	C Shift Assignments>> 	C :: 175.074	 	CA :: 56.340	 	CB :: 41.896	 	CD1 :: 133.440	 	CD2 :: 133.440	 	CE1 :: 117.590	
			 	CE2 :: 117.590	
	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 :: 8.416	 	HA :: 5.439	 	HB2 :: 2.354	 	HB3 :: 2.728	 	HD1 :: 6.780	 	HD2 :: 6.780	
			 	HE1 :: 6.655	 	HE2 :: 6.655	
	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 :: 116.787	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.F94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.82   G 0.17   

	C Shift Assignments>> 	C :: 176.347	 	CA :: 57.254	 	CB :: 43.334	 	CD1 :: 131.823	 	CD2 :: 131.823	 	CE1 :: 131.007	
			 	CE2 :: 131.007	 	CZ :: 128.957	
	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 :: 9.029	 	HA :: 5.889	 	HB2 :: 2.851	 	HB3 :: 2.685	 	HD1 :: 7.067	 	HD2 :: 7.067	
			 	HE1 :: 6.820	 	HE2 :: 6.820	 	HZ :: 6.476	
	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 :: 116.223	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.K95	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	R 0.52   K 0.37   M 0.08   

	C Shift Assignments>> 	C :: 173.700	 	CA :: 55.888	 	CB :: 37.470	 	CG :: 24.704	 	CD :: 30.359	 	CE :: 41.194	
	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 :: 9.705	 	HA :: 4.571	 	HB2 :: 1.607	 	HB3 :: 1.537	 	HG2 :: 1.246	 	HG3 :: 1.246	
			 	HD2 :: 0.945	 	HD3 :: 0.945	 	HE2 :: 2.198(S)	 	HE3 :: 1.692(S)	
	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 :: 120.882	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.I96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 174.104	 	CA :: 59.384	 	CB :: 40.777	 	CG1 :: 27.468	 	CG2 :: 15.996	 	CD1 :: 13.372	
	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 :: 8.581	 	HA :: 5.449	 	HB :: 1.194	 	HG12 :: 1.228	 	HG13 :: 0.830	 	HG21 :: 0.165	
			 	HG22 :: 0.165	 	HG23 :: 0.165	 	HD11 :: -0.212	 	HD12 :: -0.212	 	HD13 :: -0.212	
	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 :: 118.307	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.Q97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.79   E 0.16   Q 0.03   

	C Shift Assignments>> 	C :: 173.478	 	CA :: 54.164	 	CB :: 34.751	 	CG :: 33.312	
	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 :: 8.815	 	HA :: 4.854	 	HB2 :: 2.239	 	HB3 :: 1.878	 	HG2 :: 2.251	 	HG3 :: 2.251	
			 	HE21 :: 8.000	 	HE22 :: 7.027	
	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 :: 125.298	 	NE2 :: 112.327	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



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

	PRTL>>	L 0.46   A 0.33   M 0.12   K 0.05   

	C Shift Assignments>> 	C :: 174.690	 	CA :: 50.871	 	CB :: 22.864	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.335	 	HA :: 4.874	 	HB1 :: 1.398	 	HB2 :: 1.398	 	HB3 :: 1.398	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 124.895	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.R99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.63   R 0.2   K 0.15   

	C Shift Assignments>> 	C :: 174.468	 	CA :: 54.450	 	CB :: 34.473	 	CG :: 25.878	 	CD :: 44.075	
	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 :: 8.099	 	HA :: 5.040	 	HB2 :: 1.512	 	HB3 :: 1.472	 	HG2 :: 1.346	 	HG3 :: 1.295	
			 	HD2 :: 2.925	 	HD3 :: 2.842	
	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 :: 117.829	
	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.N100	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.39   N 0.33   L 0.13   F 0.04   Y 0.04   K 0.03   

	C Shift Assignments>> 	C :: 176.522	 	CA :: 51.587	 	CB :: 40.762	
	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 :: 8.701	 	HA :: 5.207	 	HB2 :: 3.432	 	HB3 :: 2.531	 	HD21 :: 8.080	 	HD22 :: 6.622	
	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 :: 120.901	 	ND2 :: 110.496	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.S101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.316	 	CA :: 61.872	 	CB :: 62.784	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.963	 	HA :: 4.142	 	HB2 :: 3.945	 	HB3 :: 3.945	
	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 :: 113.342	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.K102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.5   R 0.44   M 0.02   G 0.01   

	C Shift Assignments>> 	C :: 176.730	 	CA :: 55.059	 	CB :: 32.062	 	CG :: 24.177	 	CD :: 27.629	 	CE :: 42.240	
	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 :: 8.177	 	HA :: 4.350	 	HB2 :: 1.771	 	HB3 :: 1.693	 	HG2 :: 1.227	 	HG3 :: 1.278	
			 	HD2 :: 1.572	 	HD3 :: 1.572	 	HE2 :: 2.965	
	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 :: 119.633	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.G103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.83   L 0.1   R 0.04   

	C Shift Assignments>> 	C :: 171.054	 	CA :: 45.286	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 7.771	 	HA2 :: 3.803	 	HA3 :: 4.413	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 106.893	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.M104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.67   A 0.31   

	C Shift Assignments>> 	C :: 177.094	 	CA :: 54.988	 	CB :: 34.458	 	CG :: 32.782	 	CE :: 17.149	
	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>> 	H :: 8.374	 	HA :: 4.804	 	HB2 :: 1.965	 	HB3 :: 2.092	 	HG2 :: 2.545	 	HG3 :: 2.427	
			 	HE1 :: 1.933	 	HE2 :: 1.933	 	HE3 :: 1.933	
	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)

	N Shift Assignments>> 	N :: 117.779	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.G105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.7   L 0.15   R 0.09   F 0.01   D 0.01   

	C Shift Assignments>> 	C :: 171.184	 	CA :: 44.907	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.615	 	HA2 :: 3.775	 	HA3 :: 4.525	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 107.682	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.P106	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 177.640	 	CA :: 62.227	 	CB :: 32.642	 	CG :: 26.874	 	CD :: 49.189	
	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 :: 4.527	 	HB2 :: 1.653	 	HB3 :: 2.281	 	HG2 :: 1.753	 	HG3 :: 1.274	 	HD2 :: 3.482	
			 	HD3 :: 3.028	
	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.M107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.66   A 0.33   

	C Shift Assignments>> 	C :: 176.953	 	CA :: 55.017	 	CB :: 34.525	 	CG :: 32.925	 	CE :: 17.257	
	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>> 	H :: 8.611	 	HA :: 4.640	 	HB2 :: 1.816	 	HB3 :: 1.771	 	HG2 :: 2.142	 	HG3 :: 2.437	
			 	HE1 :: 1.314	 	HE2 :: 1.314	 	HE3 :: 1.314	
	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)

	N Shift Assignments>> 	N :: 119.108	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.S108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 174.024	 	CA :: 58.751	 	CB :: 64.917	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.928	 	HA :: 4.219	 	HB2 :: 3.967	 	HB3 :: 4.433	
	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 :: 117.004	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.E109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.58   K 0.14   M 0.11   I 0.08   Q 0.06   

	C Shift Assignments>> 	C :: 177.680	 	CA :: 56.517	 	CB :: 29.919	 	CG :: 36.383	
	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 :: 8.719	 	HA :: 4.244	 	HB2 :: 2.160	 	HB3 :: 2.022	 	HG2 :: 2.476	 	HG3 :: 2.415	
	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 :: 119.630	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.A110	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.76   M 0.21   

	C Shift Assignments>> 	C :: 178.044	 	CA :: 52.636	 	CB :: 19.203	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.970	 	HA :: 4.841	 	HB1 :: 1.540	 	HB2 :: 1.540	 	HB3 :: 1.540	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 126.010	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.V111	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 174.791	 	CA :: 60.993	 	CB :: 34.856	 	CG1 :: 21.280	 	CG2 :: 21.280	
	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 :: 9.059	 	HA :: 4.607	 	HB :: 2.143	 	HG11 :: 1.100	 	HG12 :: 1.100	 	HG13 :: 1.100	
			 	HG21 :: 1.100	 	HG22 :: 1.100	 	HG23 :: 1.100	
	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 :: 122.039	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.Q112	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.44   Q 0.27   E 0.17   K 0.09   

	C Shift Assignments>> 	C :: 175.256	 	CA :: 54.370	 	CB :: 31.334	 	CG :: 34.261	
	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 :: 8.870	 	HA :: 5.153	 	HB2 :: 2.062	 	HB3 :: 1.989	 	HG2 :: 1.917	 	HG3 :: 1.842	
			 	HE21 :: 7.117	 	HE22 :: 6.871	
	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 :: 126.098	 	NE2 :: 110.339	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.F113	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.67   G 0.32   

	C Shift Assignments>> 	C :: 172.165	 	CA :: 58.428	 	CB :: 43.869	 	CD1 :: 131.419	 	CD2 :: 131.419	 	CE1 :: 131.388	
			 	CE2 :: 131.388	 	CZ :: 129.802	
	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 :: 9.393	 	HA :: 4.551	 	HB2 :: 2.754	 	HB3 :: 2.936	 	HD1 :: 7.009	 	HD2 :: 7.009	
			 	HE1 :: 7.158	 	HE2 :: 7.158	 	HZ :: 7.330	
	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 :: 127.680	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.R114	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.57   K 0.26   G 0.16   

	C Shift Assignments>> 	C :: 174.953	 	CA :: 53.781	 	CB :: 31.620	 	CG :: 28.523	 	CD :: 43.405	
	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 :: 7.599	 	HA :: 5.039	 	HB2 :: 1.438	 	HB3 :: 1.325	 	HG2 :: 1.611	 	HG3 :: 0.839	
			 	HD2 :: 3.020	 	HD3 :: 2.992	 	HE :: 6.851	
	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 :: 129.227	 	NE :: 85.455	
	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.T115	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.83   S 0.16   

	C Shift Assignments>> 	C :: 172.422	 	CA :: 60.027	 	CB :: 68.008	 	CG2 :: 24.387	
	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 :: 8.347	 	HA :: 4.219	 	HB :: 4.580	 	HG21 :: 1.502	 	HG22 :: 1.502	 	HG23 :: 1.502	
	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 :: 117.101	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.P116	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 175.640	 	CA :: 62.753	 	CB :: 32.855	 	CG :: 27.747	 	CD :: 50.713	
	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 :: 4.467	 	HB2 :: 1.991	 	HB3 :: 2.407	 	HG2 :: 2.126	 	HG3 :: 2.028	 	HD2 :: 3.690	
			 	HD3 :: 3.803	
	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.K117	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.57   R 0.38   M 0.02   G 0.01   

	C Shift Assignments>> 	C :: 176.852	 	CA :: 56.458	 	CB :: 34.103	 	CG :: 25.526	 	CD :: 29.434	 	CE :: 42.103	
	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 :: 8.001	 	HA :: 4.217	 	HB2 :: 1.646	 	HB3 :: 1.841	 	HG2 :: 1.472	 	HG3 :: 1.359	
			 	HD2 :: 1.642	 	HE2 :: 2.981	
	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 :: 116.688	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.A118	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.76   M 0.21   L 0.01   

	C Shift Assignments>> 	C :: 177.599	 	CA :: 52.619	 	CB :: 19.478	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.477	 	HA :: 4.233	 	HB1 :: 1.385	 	HB2 :: 1.385	 	HB3 :: 1.385	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.731	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.S119	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.549	 	CA :: 58.155	 	CB :: 64.164	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.275	 	HA :: 4.469	 	HB2 :: 3.888	 	HB3 :: 3.852	
	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 :: 114.969	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G120	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.6   L 0.2   R 0.14   F 0.01   D 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 171.773	 	CA :: 44.675	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.211	 	HA2 :: 4.144	 	HA3 :: 4.144	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.654	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.P121	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 63.304	 	CB :: 32.271	 	CG :: 27.183	 	CD :: 49.814	
	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 :: 4.487	 	HB2 :: 2.323	 	HB3 :: 2.003	 	HG2 :: 2.031	 	HG3 :: 2.031	 	HD2 :: 3.643	
			 	HD3 :: 3.643	
	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.S122	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S123	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.G124	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable






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

Overall Results:

	      #Consistent: 117      #Clerical:   0      #Suspicious:   5      #Anomalous:   2      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 113      #Suspicious:   0      #Mistyped:   0      #Indeterminable:  11


Shift Relative Order (SRO) Results:

	      #Consistent: 123      #Suspicious:   1


C Shift Results:

	      #Consistent: 514      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 785      #Duplicate:   0      #Unknown:   0      #Suspicious:  11      #Anomalous:   2


N Shift Results:

	      #Consistent: 112      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.V27	HG11 = -0.384(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 5.8060e-06
1.V27	HG12 = -0.384(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 5.8060e-06
1.V27	HG13 = -0.384(S),	 Expected =  0.84, Std = 0.2700, ChiSquare = 5.8060e-06
1.W41	HE1 = 6.028(A),	 Expected = 10.13, Std = 0.5300, ChiSquare = 9.9712e-15
1.W41	SRO Rule Break>>  HE1 > HD1 : 0.993006993006993
1.W41	SRO Rule Break>>  HE1 > HZ3 : 0.992378048780488
1.S59	HB2 = 2.419(S),	 Expected =  3.88, Std = 0.2900, ChiSquare = 4.7059e-07
1.S59	HB3 = 1.246(A),	 Expected =  3.87, Std = 0.3100, ChiSquare = 2.5722e-17
1.V62	HB = -0.022(S),	 Expected =  1.99, Std = 0.3300, ChiSquare = 1.0810e-09
1.I66	HD11 = -0.383(S),	 Expected =  0.70, Std = 0.3000, ChiSquare = 3.0620e-04
1.I66	HD12 = -0.383(S),	 Expected =  0.70, Std = 0.3000, ChiSquare = 3.0620e-04
1.I66	HD13 = -0.383(S),	 Expected =  0.70, Std = 0.3000, ChiSquare = 3.0620e-04
1.V70	HB = 0.564(S),	 Expected =  1.99, Std = 0.3300, ChiSquare = 1.5517e-05
1.K95	HE2 = 2.198(S),	 Expected =  2.93, Std = 0.2000, ChiSquare = 2.5222e-04
1.K95	HE3 = 1.692(S),	 Expected =  2.93, Std = 0.2000, ChiSquare = 6.0164e-10