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: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 58.638	 	CB :: 64.062	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	HA :: 4.555	 	HB2 :: 4.005	 	HB3 :: 3.951	
	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)



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

	PRTL>>	G 0.78   L 0.08   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 173.347	 	CA :: 45.323	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.613	 	HA2 :: 4.194	 	HA3 :: 4.194	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.097	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.I8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.7   C 0.29   

	C Shift Assignments>> 	CA :: 61.364	 	CB :: 38.432	 	CG1 :: 27.443	 	CG2 :: 17.502	 	CD1 :: 13.053	
	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 :: 8.165	 	HA :: 4.190	 	HB :: 1.836	 	HG12 :: 1.484	 	HG13 :: 1.199	 	HG21 :: 0.889	
			 	HG22 :: 0.889	 	HG23 :: 0.889	 	HD11 :: 0.853	 	HD12 :: 0.853	 	HD13 :: 0.853	
	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 :: 120.091	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	L 0.67   C 0.3   A 0.01   

	C Shift Assignments>> 	C :: 176.194	 	CA :: 54.942	 	CG :: 26.945	 	CD1 :: 25.942	 	CD2 :: 24.038	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 9.307	 	HA :: 4.584	 	HB2 :: 2.705	 	HB3 :: 2.088	 	HG :: 1.450	 	HD11 :: 0.757	
			 	HD12 :: 0.757	 	HD13 :: 0.757	 	HD21 :: 0.906	 	HD22 :: 0.906	 	HD23 :: 0.906	
	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)



1.F10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	F 0.4   Y 0.34   C 0.24   

	C Shift Assignments>> 	C :: 175.170	 	CA :: 53.420	 	CB :: 39.413	 	CD1 :: 132.015	 	CD2 :: 132.015	 	CE1 :: 130.481	
			 	CE2 :: 130.481	
	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 :: 8.076	 	HA :: 4.706	 	HB2 :: 2.806	 	HB3 :: 2.806	 	HD1 :: 7.298	 	HD2 :: 7.298	
			 	HE1 :: 6.848	 	HE2 :: 6.848	
	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)



1.I11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.75   C 0.24   

	HN Overlap>>	 1.F100 1.F100

	C Shift Assignments>> 	C :: 175.861	 	CA :: 62.072	 	CB :: 38.429	 	CG1 :: 27.796	 	CG2 :: 17.738	 	CD1 :: 13.960	
	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 :: 8.243	 	HA :: 4.301	 	HB :: 1.814	 	HG12 :: 1.439	 	HG13 :: 1.439	 	HG21 :: 0.992	
			 	HG22 :: 0.992	 	HG23 :: 0.992	 	HD11 :: 0.868	 	HD12 :: 0.868	 	HD13 :: 0.868	
	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 :: 121.534	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.55   M 0.23   E 0.18   Q 0.01   

	C Shift Assignments>> 	C :: 174.658	 	CA :: 56.493	 	CB :: 33.428	 	CG :: 36.076	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.541	 	HA :: 4.542	 	HB2 :: 1.877	 	HB3 :: 1.780	 	HG2 :: 2.222	 	HG3 :: 2.170	
	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)



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

	PRTL>>	K 0.47   C 0.32   R 0.14   M 0.03   G 0.01   

	C Shift Assignments>> 	C :: 173.630	 	CA :: 53.300	 	CB :: 33.359	 	CG :: 24.877	 	CD :: 29.623	 	CE :: 42.014	
	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 :: 8.748	 	HA :: 4.504	 	HB2 :: 1.564	 	HB3 :: 1.399	 	HG2 :: 1.197	 	HG3 :: 0.779	
			 	HD2 :: 1.538	 	HD3 :: 1.538	 	HE2 :: 2.806	 	HE3 :: 2.806	
	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 :: 124.842	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



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

	PRTL>>	P 0.72   C 0.27   

	C Shift Assignments>> 	C :: 175.095	 	CA :: 62.266	 	CB :: 31.717	 	CG :: 28.016	 	CD :: 49.847	
	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 :: 4.615	 	HB2 :: 1.609	 	HB3 :: 0.741(S)	 	HG2 :: 1.693	 	HG3 :: 1.693	 	HD2 :: 3.288	
			 	HD3 :: 3.311	
	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.Q15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.39   C 0.3   Q 0.17   E 0.07   K 0.04   

	HN Overlap>>	 1.K99 1.K99

	C Shift Assignments>> 	C :: 175.993	 	CA :: 53.785	 	CB :: 31.670	 	CG :: 33.813	
	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 :: 8.361	 	HA :: 4.583	 	HB2 :: 2.276	 	HB3 :: 2.007	 	HG2 :: 2.521	 	HG3 :: 2.521	
			 	HE21 :: 7.611	 	HE22 :: 6.920	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 120.155	 	NE2 :: 113.957	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.G16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.8   C 0.08   L 0.07   R 0.02   

	C Shift Assignments>> 	C :: 173.684	 	CA :: 45.628	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.414	 	HA2 :: 4.507	 	HA3 :: 4.443	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 107.142	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.G17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.8   C 0.09   L 0.07   R 0.01   

	C Shift Assignments>> 	C :: 171.813	 	CA :: 45.720	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.410	 	HA2 :: 4.122	 	HA3 :: 4.448	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 104.979	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	T 0.86   C 0.13   

	HN Overlap>>	 1.S124 1.S124

	C Shift Assignments>> 	C :: 174.695	 	CA :: 60.333	 	CB :: 71.280	 	CG2 :: 21.013	
	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 :: 8.453	 	HA :: 5.341	 	HB :: 3.692	 	HG21 :: 0.868	 	HG22 :: 0.868	 	HG23 :: 0.868	
	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 :: 116.647	
	Ave N Shift Values>> 	N :: 115.7(5.05)



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

	PRTL>>	C 0.78   V 0.19   A 0.01   

	HN Overlap>>	 1.F66 1.F66

	C Shift Assignments>> 	C :: 172.217	 	CA :: 58.488	 	CB :: 36.391	 	CG1 :: 21.859	 	CG2 :: 21.404	
	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 :: 8.693	 	HA :: 4.545	 	HB :: 1.790	 	HG11 :: 0.763	 	HG12 :: 0.763	 	HG13 :: 0.763	
			 	HG21 :: 0.916	 	HG22 :: 0.916	 	HG23 :: 0.916	
	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 :: 123.957	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.K20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.33   R 0.23   M 0.01   

	C Shift Assignments>> 	C :: 176.815	 	CA :: 55.108	 	CB :: 33.552	 	CG :: 25.658	 	CD :: 29.319	 	CE :: 42.099	
	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 :: 8.339	 	HA :: 4.764	 	HB2 :: 1.692	 	HB3 :: 1.442	 	HG2 :: 1.428	 	HG3 :: 1.428	
			 	HD2 :: 1.670	 	HD3 :: 1.670	 	HE2 :: 2.988	 	HE3 :: 2.988	
	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 :: 126.046	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.V21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.87   C 0.12   

	C Shift Assignments>> 	C :: 177.329	 	CA :: 64.472	 	CB :: 32.092	 	CG1 :: 22.893	 	CG2 :: 21.244	
	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 :: 8.034	 	HA :: 3.378	 	HB :: 1.884	 	HG11 :: 0.923	 	HG12 :: 0.923	 	HG13 :: 0.923	
			 	HG21 :: 0.988	 	HG22 :: 0.988	 	HG23 :: 0.988	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 120.504	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	G 0.69   L 0.12   C 0.08   R 0.06   F 0.01   

	C Shift Assignments>> 	C :: 174.200	 	CA :: 45.042	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 9.649	 	HA2 :: 4.377	 	HA3 :: 3.328	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 114.367	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.E23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.43   E 0.38   M 0.09   I 0.04   K 0.03   

	C Shift Assignments>> 	C :: 173.853	 	CA :: 55.596	 	CB :: 30.514	 	CG :: 37.290	
	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 :: 8.285	 	HA :: 4.614	 	HB2 :: 2.238	 	HB3 :: 2.169	 	HG2 :: 2.217	 	HG3 :: 2.147	
	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 :: 122.484	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	L 0.27   D 0.24   R 0.12   C 0.11   K 0.08   N 0.05   G 0.03   F 0.03   Y 0.02   

	C Shift Assignments>> 	C :: 176.235	 	CA :: 52.661	 	CB :: 42.590	
	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 :: 8.019	 	HA :: 5.397	 	HB2 :: 2.791	 	HB3 :: 2.468	
	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 :: 117.716	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	I 0.58   C 0.41   

	C Shift Assignments>> 	C :: 170.863	 	CA :: 61.072	 	CB :: 40.797	 	CG1 :: 28.192	 	CG2 :: 14.790	 	CD1 :: 14.374	
	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 :: 8.811	 	HA :: 4.340	 	HB :: 1.580	 	HG12 :: 0.027	 	HG13 :: 1.260	 	HG21 :: 0.663	
			 	HG22 :: 0.663	 	HG23 :: 0.663	 	HD11 :: 0.592	 	HD12 :: 0.592	 	HD13 :: 0.592	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 119.963	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	T 0.84   C 0.14   

	C Shift Assignments>> 	C :: 172.730	 	CA :: 61.045	 	CB :: 70.826	 	CG2 :: 22.522	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 7.927	 	HA :: 4.869	 	HB :: 3.659	 	HG21 :: 0.970	 	HG22 :: 0.970	 	HG23 :: 0.970	
	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 :: 122.571	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.F27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.59   C 0.39   

	HN Overlap>>	 1.Q78 1.Q78

	C Shift Assignments>> 	C :: 174.077	 	CA :: 56.661	 	CB :: 41.401	 	CD1 :: 132.687	 	CD2 :: 132.687	 	CE1 :: 130.219	
			 	CE2 :: 130.219	 	CZ :: 128.422	
	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 :: 9.071	 	HA :: 4.644	 	HB2 :: 2.549	 	HB3 :: 2.549	 	HD1 :: 6.935	 	HD2 :: 6.935	
			 	HE1 :: 7.048	 	HE2 :: 7.048	 	HZ :: 7.033	
	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 :: 127.155	
	Ave N Shift Values>> 	N :: 120.69(4.18)



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

	PRTL>>	I 0.57   C 0.41   

	C Shift Assignments>> 	C :: 174.039	 	CA :: 60.115	 	CB :: 41.467	 	CG1 :: 28.064	 	CG2 :: 18.856	 	CD1 :: 13.276	
	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 :: 8.410	 	HA :: 5.104	 	HB :: 1.670	 	HG12 :: 1.357	 	HG13 :: 0.953	 	HG21 :: 0.735	
			 	HG22 :: 0.735	 	HG23 :: 0.735	 	HD11 :: 0.725	 	HD12 :: 0.725	 	HD13 :: 0.725	
	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 :: 121.568	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.A29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.32   C 0.28   A 0.13   P 0.1   M 0.05   K 0.04   G 0.02   R 0.01   

	C Shift Assignments>> 	C :: 176.477	 	CA :: 49.706	 	CB :: 23.526	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.324	 	HA :: 4.997	 	HB1 :: 1.429	 	HB2 :: 1.429	 	HB3 :: 1.429	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 126.109	
	Ave N Shift Values>> 	N :: 123.23(3.7)



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

	PRTL>>	R 0.45   C 0.43   K 0.08   G 0.01   

	C Shift Assignments>> 	CA :: 55.136	 	CB :: 37.616	 	CG :: 26.006	 	CD :: 29.718	 	CE :: 42.266	
	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 :: 8.759	 	HA :: 5.972(S)	 	HB2 :: 1.583	 	HB3 :: 1.583	 	HG2 :: 1.152	 	HG3 :: 1.716	
			 	HD2 :: 1.468	 	HD3 :: 1.468	 	HE2 :: 2.804	 	HE3 :: 2.804	
	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)



1.V31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.79   V 0.17   I 0.02   

	C Shift Assignments>> 	CA :: 60.729	 	CB :: 37.660	 	CG1 :: 21.534	 	CG2 :: 20.828	
	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 :: 9.106	 	HA :: 4.649	 	HB :: 1.871	 	HG11 :: 0.772	 	HG12 :: 0.772	 	HG13 :: 0.772	
			 	HG21 :: 0.703	 	HG22 :: 0.703	 	HG23 :: 0.703	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 121.986	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.K32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	K 0.39   C 0.37   R 0.2   M 0.02   

	C Shift Assignments>> 	CA :: 56.041	 	CB :: 33.959	 	CG :: 25.062	 	CD :: 29.388	 	CE :: 42.090	
	Ave C Shift Values>> 	C :: 176.46(2.05) 	CA :: 56.84(2.25) 	CB :: 32.83(1.88) 	CG :: 24.91(1.31) 	CD :: 28.78(1.39) 	CE :: 41.78(0.98)

	H Shift Assignments>> 	H :: 8.845	 	HA :: 4.823	 	HB2 :: 1.969	 	HB3 :: 1.609	 	HG2 :: 1.461	 	HG3 :: 1.430	
			 	HD2 :: 1.721	 	HD3 :: 1.679	 	HE2 :: 2.955	 	HE3 :: 2.955	
	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)



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

	PRTL>>	A 0.76   M 0.11   C 0.06   L 0.05   

	C Shift Assignments>> 	C :: 176.262	 	CA :: 50.844	 	CB :: 20.992	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.939	 	HA :: 4.469	 	HB1 :: 1.352	 	HB2 :: 1.352	 	HB3 :: 1.352	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 129.766	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.E34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.38   C 0.36   M 0.09   I 0.09   K 0.04   Q 0.02   

	HN Overlap>>	 1.D106 1.D106

	C Shift Assignments>> 	C :: 175.911	 	CA :: 58.091	 	CB :: 30.728	 	CG :: 36.547	
	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 :: 8.588	 	HA :: 4.186	 	HB2 :: 2.182	 	HB3 :: 2.017	 	HG2 :: 2.400	 	HG3 :: 2.355	
	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 :: 119.194	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.D35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   L 0.19   N 0.12   C 0.1   K 0.1   F 0.05   Y 0.04   R 0.03   

	C Shift Assignments>> 	C :: 176.359	 	CA :: 53.230	 	CB :: 41.410	
	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 :: 7.819	 	HA :: 4.687	 	HB2 :: 3.068	 	HB3 :: 2.791	
	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 :: 115.927	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	L 0.57   C 0.31   R 0.08   A 0.01   

	C Shift Assignments>> 	C :: 177.870	 	CA :: 55.723	 	CB :: 41.675	 	CG :: 27.330	 	CD1 :: 25.306	 	CD2 :: 23.149	
	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 :: 8.589	 	HA :: 4.420	 	HB2 :: 1.721	 	HB3 :: 1.721	 	HG :: 1.782	 	HD11 :: 0.993	
			 	HD12 :: 0.993	 	HD13 :: 0.993	 	HD21 :: 1.007	 	HD22 :: 1.007	 	HD23 :: 1.007	
	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 :: 121.893	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.L37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.55   C 0.3   R 0.09   A 0.02   G 0.01   

	HN Overlap>>	 1.N118 1.N118

	C Shift Assignments>> 	C :: 177.351	 	CA :: 55.878	 	CB :: 42.222	 	CG :: 27.322	 	CD1 :: 24.975	 	CD2 :: 22.842	
	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 :: 8.482	 	HA :: 4.317	 	HB2 :: 1.844	 	HB3 :: 1.577	 	HG :: 1.616	 	HD11 :: 0.929	
			 	HD12 :: 0.929	 	HD13 :: 0.929	 	HD21 :: 0.848	 	HD22 :: 0.848	 	HD23 :: 0.848	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 119.417	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.R38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.43   C 0.34   K 0.17   G 0.04   

	C Shift Assignments>> 	C :: 174.880	 	CA :: 53.954	 	CB :: 31.775	 	CG :: 26.815	 	CD :: 42.773	
	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 :: 7.670	 	HA :: 4.614	 	HB2 :: 1.816	 	HB3 :: 1.616	 	HG2 :: 1.537	 	HG3 :: 1.496	
			 	HD2 :: 3.143	 	HD3 :: 3.143	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.628	
	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.K39	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.37   C 0.35   R 0.12   M 0.08   A 0.04   

	HN Overlap>>	 1.E64 1.E64

	C Shift Assignments>> 	C :: 168.983(A)	 	CA :: 53.600	 	CB :: 32.713	 	CG :: 23.131	 	CD :: 29.226	 	CE :: 41.689	
	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 :: 8.598	 	HA :: 4.644	 	HB2 :: 1.609	 	HB3 :: 1.518	 	HG2 :: 1.431	 	HG3 :: 1.222	
			 	HD2 :: 1.640	 	HD3 :: 1.640	 	HE2 :: 2.972	 	HE3 :: 2.894	
	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 :: 122.847	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.P40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.7   C 0.29   

	C Shift Assignments>> 	C :: 174.918	 	CA :: 62.003	 	CB :: 31.792	 	CG :: 26.579	 	CD :: 50.301	
	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 :: 5.107	 	HB2 :: 1.764	 	HB3 :: 1.500	 	HG2 :: 1.334	 	HG3 :: 1.083	 	HD2 :: 3.050	
			 	HD3 :: 2.501	
	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.T41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.86   C 0.13   

	C Shift Assignments>> 	C :: 175.695	 	CA :: 60.243	 	CB :: 70.786	 	CG2 :: 21.664	
	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 :: 8.778	 	HA :: 4.548	 	HB :: 4.147	 	HG21 :: 1.115	 	HG22 :: 1.115	 	HG23 :: 1.115	
	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 :: 112.985	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.I42	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.66   G 0.14   A 0.09   I 0.09   

	C Shift Assignments>> 	CA :: 57.253	 	CB :: 43.349	 	CG1 :: 29.241	 	CG2 :: 17.665	 	CD1 :: 15.214	
	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 :: 8.393	 	HA :: 4.990	 	HB :: -0.058(S)	 	HG12 :: -0.002	 	HG13 :: 0.581	 	HG21 :: 0.502	
			 	HG22 :: 0.502	 	HG23 :: 0.502	 	HD11 :: -0.101	 	HD12 :: -0.101	 	HD13 :: -0.101	
	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 :: 123.996	
	Ave N Shift Values>> 	N :: 121.6(4.72)



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

	PRTL>>	C 0.48   R 0.41   K 0.07   G 0.02   

	C Shift Assignments>> 	C :: 173.568	 	CA :: 55.088	 	CB :: 38.070	 	CG :: 25.395	 	CD :: 29.422	 	CE :: 42.324	
	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 :: 8.422	 	HA :: 4.505	 	HB2 :: 1.572	 	HB3 :: 1.304	 	HG2 :: 1.272	 	HG3 :: 1.397	
			 	HD2 :: 1.726	 	HD3 :: 1.726	 	HE2 :: 2.961	 	HE3 :: 2.926	
	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)



1.W44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   W 0.42   H 0.05   

	C Shift Assignments>> 	C :: 174.837	 	CA :: 55.063	 	CB :: 31.847	 	CD1 :: 128.708	 	CE3 :: 119.827	 	CZ2 :: 114.615	
			 	CZ3 :: 120.160	 	CH2 :: 123.424	
	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 :: 9.340	 	HA :: 5.286	 	HB2 :: 3.249	 	HB3 :: 2.942	 	HD1 :: 7.037	 	HE1 :: 10.824	
			 	HE3 :: 7.568	 	HZ2 :: 7.080	 	HZ3 :: 6.742	 	HH2 :: 6.662	
	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 :: 123.863	 	NE1 :: 131.313	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)



1.F45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.45   G 0.29   C 0.25   

	C Shift Assignments>> 	C :: 175.630	 	CA :: 56.043	 	CB :: 44.024	 	CD1 :: 131.084	 	CD2 :: 131.084	 	CE1 :: 131.035	
			 	CE2 :: 131.035	 	CZ :: 129.326	
	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 :: 9.477	 	HA :: 5.653	 	HB2 :: 2.674	 	HB3 :: 2.488	 	HD1 :: 6.712	 	HD2 :: 6.712	
			 	HE1 :: 7.131	 	HE2 :: 7.131	 	HZ :: 7.193	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 118.792	
	Ave N Shift Values>> 	N :: 120.69(4.18)



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

	PRTL>>	C 0.4   R 0.3   K 0.2   G 0.07   

	C Shift Assignments>> 	C :: 176.454	 	CA :: 55.218	 	CB :: 35.541	 	CG :: 25.650	 	CD :: 28.669	 	CE :: 43.224	
	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 :: 8.512	 	HA :: 4.278	 	HB2 :: 1.708	 	HB3 :: 1.277	 	HG2 :: 1.008	 	HG3 :: 0.086(S)	
			 	HD2 :: 1.259	 	HD3 :: 1.259	 	HE2 :: 2.501	 	HE3 :: 2.730	
	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 :: 120.015	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.G47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.77   L 0.09   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 173.651	 	CA :: 45.279	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.477	 	HA2 :: 3.871	 	HA3 :: 3.558	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 115.425	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.K48	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	K 0.41   C 0.36   R 0.19   M 0.01   

	C Shift Assignments>> 	C :: 178.541	 	CA :: 59.157	 	CB :: 32.312	 	CG :: 24.939	 	CD :: 28.759	 	CE :: 41.879	
	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 :: 8.232	 	HA :: 3.535	 	HB2 :: 1.072	 	HB3 :: 0.792(S)	 	HG2 :: 0.733	 	HG3 :: 0.933	
			 	HD2 :: 1.298	 	HD3 :: 1.298	 	HE2 :: 2.692	 	HE3 :: 2.656	
	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 :: 120.562	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.W49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.49   C 0.47   H 0.03   

	C Shift Assignments>> 	C :: 176.343	 	CA :: 56.496	 	CB :: 31.799	 	CD1 :: 127.389	 	CE3 :: 121.027	 	CZ2 :: 114.427	
			 	CZ3 :: 121.787	 	CH2 :: 124.520	
	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 :: 8.203	 	HA :: 4.935	 	HB2 :: 3.449	 	HB3 :: 3.122	 	HD1 :: 7.140	 	HE1 :: 10.117	
			 	HE3 :: 7.509	 	HZ2 :: 7.415	 	HZ3 :: 7.050	 	HH2 :: 7.137	
	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 :: 113.585	 	NE1 :: 128.867	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)



1.M50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.47   C 0.45   A 0.06   

	C Shift Assignments>> 	C :: 173.573	 	CA :: 56.615	 	CB :: 32.757	 	CG :: 31.596	 	CE :: 16.935	
	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 :: 7.413	 	HA :: 4.509	 	HB2 :: 2.551	 	HB3 :: 1.975	 	HG2 :: 2.437	 	HG3 :: 2.219	
			 	HE1 :: 2.062	 	HE2 :: 2.062	 	HE3 :: 2.062	
	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 :: 120.356	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.D51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   L 0.17   N 0.15   C 0.11   K 0.08   F 0.07   Y 0.06   R 0.01   

	C Shift Assignments>> 	C :: 178.148	 	CA :: 53.620	 	CB :: 40.943	
	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 :: 8.418	 	HA :: 4.325	 	HB2 :: 2.871	 	HB3 :: 2.552	
	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 :: 128.827	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.L52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.52   C 0.4   R 0.04   A 0.01   

	C Shift Assignments>> 	C :: 178.250	 	CA :: 56.739	 	CB :: 40.887	 	CG :: 27.029	 	CD1 :: 26.298	 	CD2 :: 22.650	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 9.075	 	HA :: 3.963	 	HB2 :: 1.673	 	HB3 :: 1.622	 	HG :: 1.792	 	HD11 :: 1.088	
			 	HD12 :: 1.088	 	HD13 :: 1.088	 	HD21 :: 0.826	 	HD22 :: 0.826	 	HD23 :: 0.826	
	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 :: 129.100	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.61   A 0.28   I 0.05   C 0.03   

	C Shift Assignments>> 	C :: 180.748	 	CA :: 55.584	 	CB :: 17.980	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.724	 	HA :: 4.020	 	HB1 :: 1.481	 	HB2 :: 1.481	 	HB3 :: 1.481	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.438	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.S54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.959	 	CA :: 59.675	 	CB :: 63.508	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.893	 	HA :: 4.429	 	HB2 :: 4.096	 	HB3 :: 4.007	
	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 :: 110.385	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	K 0.39   C 0.29   R 0.27   M 0.02   G 0.01   

	C Shift Assignments>> 	C :: 175.563	 	CA :: 53.910	 	CB :: 32.123	 	CG :: 24.151	 	CD :: 27.967	 	CE :: 42.137	
	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 :: 7.815	 	HA :: 4.530	 	HB2 :: 2.025	 	HB3 :: 1.742	 	HG2 :: 1.398	 	HG3 :: 1.398	
			 	HD2 :: 1.577	 	HD3 :: 1.602	 	HE2 :: 2.898	 	HE3 :: 2.987	
	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 :: 120.861	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.A56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.72   M 0.24   C 0.02   

	C Shift Assignments>> 	C :: 177.873	 	CA :: 52.852	 	CB :: 18.847	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.141	 	HA :: 4.306	 	HB1 :: 1.467	 	HB2 :: 1.467	 	HB3 :: 1.467	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.780	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.G57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.8   C 0.12   L 0.05   

	C Shift Assignments>> 	CA :: 46.393	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 9.179	 	HA2 :: 3.923	 	HA3 :: 4.284	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.485	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.K58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	K 0.41   C 0.38   R 0.16   M 0.02   

	C Shift Assignments>> 	C :: 176.866	 	CA :: 58.710	 	CB :: 32.709	 	CG :: 24.570	 	CD :: 29.118	 	CE :: 42.005	
	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 :: 7.064	 	HA :: 3.943	 	HB2 :: 1.714	 	HB3 :: 1.563	 	HG2 :: 1.185	 	HG3 :: 1.079	
			 	HD2 :: 1.601	 	HD3 :: 1.601	 	HE2 :: 2.925	 	HE3 :: 2.925	
	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)



1.H59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.47   C 0.41   H 0.11   

	C Shift Assignments>> 	C :: 174.214	 	CA :: 56.076	 	CB :: 30.917	 	CD2 :: 127.196	 	CE1 :: 138.727	
	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 :: 8.352	 	HA :: 5.124	 	HB2 :: 3.607	 	HB3 :: 3.015	 	HD2 :: 7.066	 	HE1 :: 7.939	
	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 :: 112.515	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.L60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.44   L 0.25   C 0.24   R 0.06   

	C Shift Assignments>> 	C :: 174.977	 	CA :: 54.666	 	CB :: 45.076	 	CG :: 27.853	 	CD1 :: 25.948	 	CD2 :: 25.709	
	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 :: 7.263	 	HA :: 5.448	 	HB2 :: 1.559	 	HB3 :: 1.417	 	HG :: 1.316	 	HD11 :: 0.758	
			 	HD12 :: 0.758	 	HD13 :: 0.758	 	HD21 :: 0.663	 	HD22 :: 0.663	 	HD23 :: 0.663	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 122.688	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.Q61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.44   C 0.41   Q 0.08   E 0.05   

	C Shift Assignments>> 	C :: 173.644	 	CA :: 54.187	 	CB :: 33.141	 	CG :: 33.982	
	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 :: 9.062	 	HA :: 4.696	 	HB2 :: 2.002	 	HB3 :: 1.842	 	HG2 :: 2.255	 	HG3 :: 2.222	
			 	HE21 :: 6.992	 	HE22 :: 7.536	
	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 :: 124.354	 	NE2 :: 113.882	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



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

	PRTL>>	L 0.6   C 0.21   R 0.1   G 0.07   A 0.01   

	C Shift Assignments>> 	C :: 176.850	 	CA :: 53.494	 	CB :: 43.051	 	CG :: 27.522	 	CD1 :: 25.308	 	CD2 :: 24.078	
	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 :: 8.709	 	HA :: 5.239	 	HB2 :: 1.807	 	HB3 :: 1.589	 	HG :: 1.454	 	HD11 :: 0.910	
			 	HD12 :: 0.910	 	HD13 :: 0.910	 	HD21 :: 0.567	 	HD22 :: 0.567	 	HD23 :: 0.567	
	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 :: 123.720	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.K63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   R 0.24   K 0.22   G 0.01   

	C Shift Assignments>> 	C :: 174.354	 	CA :: 55.529	 	CB :: 37.098	 	CG :: 24.877	 	CD :: 29.191	 	CE :: 41.993	
	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 :: 8.863	 	HA :: 4.810	 	HB2 :: 1.748	 	HB3 :: 1.637	 	HG2 :: 1.308	 	HG3 :: 1.308	
			 	HD2 :: 1.539	 	HD3 :: 1.539	 	HE2 :: 2.806	 	HE3 :: 2.806	
	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 :: 122.596	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.E64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.59   M 0.25   E 0.13   Q 0.01   

	HN Overlap>>	 1.K39 1.K39

	C Shift Assignments>> 	C :: 175.382	 	CA :: 54.947	 	CB :: 33.633	 	CG :: 36.042	
	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 :: 8.598	 	HA :: 5.429	 	HB2 :: 2.121	 	HB3 :: 2.175	 	HG2 :: 2.292	 	HG3 :: 2.292	
	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 :: 122.929	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.T65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.83   C 0.16   

	C Shift Assignments>> 	C :: 171.864	 	CA :: 61.275	 	CB :: 72.094	 	CG2 :: 21.839	
	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 :: 8.733	 	HA :: 4.603	 	HB :: 3.998	 	HG21 :: 1.158	 	HG22 :: 1.158	 	HG23 :: 1.158	
	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 :: 117.770	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.F66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.67   C 0.31   G 0.01   

	HN Overlap>>	 1.V19 1.V19

	C Shift Assignments>> 	C :: 173.452	 	CA :: 54.821	 	CB :: 41.825	 	CD1 :: 131.213	 	CD2 :: 131.213	 	CE1 :: 130.341	
			 	CE2 :: 130.341	 	CZ :: 128.334	
	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 :: 8.697	 	HA :: 4.763	 	HB2 :: 2.590	 	HB3 :: 2.590	 	HD1 :: 6.193	 	HD2 :: 6.193	
			 	HE1 :: 6.828	 	HE2 :: 6.828	 	HZ :: 6.968	
	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 :: 123.955	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.E67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.53   E 0.31   M 0.08   I 0.04   K 0.01   

	C Shift Assignments>> 	C :: 174.683	 	CA :: 54.713	 	CB :: 30.617	 	CG :: 37.853	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.679	 	HA :: 4.264	 	HB2 :: 1.979	 	HB3 :: 1.582	 	HG2 :: 2.173	 	HG3 :: 1.987	
	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 :: 130.807	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.R68	Overall: Suspicious 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.46   C 0.37   K 0.08   G 0.06   L 0.01   

	C Shift Assignments>> 	C :: 177.349	 	CA :: 59.055	 	CB :: 30.002	 	CG :: 27.066	 	CD :: 43.206	
	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 :: 8.021	 	HA :: 3.141	 	HB2 :: 1.636	 	HB3 :: 1.548	 	HG2 :: 1.424	 	HG3 :: 1.305	
			 	HD2 :: 3.159	 	HD3 :: 3.159	
	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 :: 124.661	
	Ave N Shift Values>> 	N :: 120.61(3.9) 	NE :: 89.8(12.83) 	NH1 :: 74.78(11.38) 	NH2 :: 75.84(11.44)

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


1.H69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.39   H 0.3   C 0.29   

	C Shift Assignments>> 	C :: 176.941	 	CA :: 59.481	 	CB :: 29.624	 	CD2 :: 119.446	 	CE1 :: 138.578	
	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 :: 8.485	 	HA :: 4.289	 	HB2 :: 3.227	 	HB3 :: 3.074	 	HD2 :: 7.000	 	HE1 :: 7.713	
	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 :: 117.873	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.S70	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.625	 	CA :: 57.868	 	CB :: 64.189	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.927	 	HA :: 4.210	 	HB2 :: 3.806	 	HB3 :: 3.599	
	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 :: 112.944	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.R71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   L 0.21   G 0.2   R 0.1   K 0.07   

	C Shift Assignments>> 	C :: 173.597	 	CA :: 57.684	 	CB :: 26.621	 	CG :: 28.253	 	CD :: 44.001	
	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 :: 7.669	 	HA :: 3.527	 	HB2 :: 2.249	 	HB3 :: 2.097	 	HG2 :: 1.583	 	HG3 :: 1.583	
			 	HD2 :: 3.292	 	HD3 :: 3.116	
	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 :: 117.423	
	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.V72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.67   C 0.32   

	C Shift Assignments>> 	C :: 176.945	 	CA :: 62.077	 	CB :: 34.565	 	CG1 :: 22.436	 	CG2 :: 21.946	
	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 :: 7.075	 	HA :: 4.525	 	HB :: 1.707	 	HG11 :: 0.780	 	HG12 :: 0.780	 	HG13 :: 0.780	
			 	HG21 :: 0.707	 	HG22 :: 0.707	 	HG23 :: 0.707	
	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 :: 117.032	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.Y73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.63   C 0.36   

	C Shift Assignments>> 	C :: 174.870	 	CA :: 58.093	 	CB :: 41.419	 	CD1 :: 132.449	 	CD2 :: 132.449	 	CE1 :: 118.496	
			 	CE2 :: 118.496	
	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 :: 9.463	 	HA :: 4.855	 	HB2 :: 2.602	 	HB3 :: 2.053	 	HD1 :: 6.757	 	HD2 :: 6.757	
			 	HE1 :: 6.485	 	HE2 :: 6.485	
	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 :: 130.486	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.T74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.93   C 0.06   

	C Shift Assignments>> 	C :: 173.129	 	CA :: 62.431	 	CB :: 69.396	 	CG2 :: 21.840	
	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 :: 8.927	 	HA :: 4.753	 	HB :: 3.915	 	HG21 :: 1.097	 	HG22 :: 1.097	 	HG23 :: 1.097	
	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 :: 119.339	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.F75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.59   C 0.39   

	C Shift Assignments>> 	C :: 174.355	 	CA :: 56.415	 	CB :: 41.549	 	CD1 :: 132.687	 	CD2 :: 132.687	 	CE1 :: 130.186	
			 	CE2 :: 130.186	 	CZ :: 128.153	
	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 :: 9.834	 	HA :: 5.512	 	HB2 :: 3.932	 	HB3 :: 3.071	 	HD1 :: 7.288	 	HD2 :: 7.288	
			 	HE1 :: 7.027	 	HE2 :: 7.027	 	HZ :: 6.556	
	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 :: 129.068	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.E76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.77   M 0.15   E 0.07   

	C Shift Assignments>> 	C :: 175.376	 	CA :: 53.930	 	CB :: 34.029	 	CG :: 36.881	
	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 :: 9.384	 	HA :: 5.632	 	HB2 :: 1.841	 	HB3 :: 1.758	 	HG2 :: 1.984	 	HG3 :: 1.984	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 120.929	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.M77	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	M 0.4   C 0.29   A 0.29   

	C Shift Assignments>> 	C :: 173.278	 	CA :: 54.812	 	CB :: 32.428	 	CG :: 32.072	 	CE :: 18.550	
	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 :: 8.624	 	HA :: 4.404	 	HB2 :: 0.792	 	HB3 :: -0.551(S)	 	HG2 :: 1.521	 	HG3 :: 1.652	
			 	HE1 :: 1.505	 	HE2 :: 1.505	 	HE3 :: 1.505	
	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 :: 125.102	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.Q78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.26   M 0.26   Q 0.22   K 0.16   E 0.04   R 0.02   

	HN Overlap>>	 1.F27 1.F27

	C Shift Assignments>> 	C :: 174.493	 	CA :: 54.127	 	CB :: 30.583	 	CG :: 33.044	
	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 :: 9.153	 	HA :: 4.848	 	HB2 :: 1.903	 	HB3 :: 1.809	 	HG2 :: 2.073	 	HG3 :: 2.073	
			 	HE21 :: 7.066	 	HE22 :: 6.465	
	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 :: 127.183	 	NE2 :: 109.998	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.I79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.58   C 0.4   

	HN Overlap>>	 1.K97 1.K97

	C Shift Assignments>> 	C :: 174.981	 	CA :: 59.938	 	CB :: 37.427	 	CG1 :: 27.876	 	CG2 :: 16.982	 	CD1 :: 12.618	
	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 :: 8.957	 	HA :: 4.584	 	HB :: 2.004	 	HG12 :: 1.103	 	HG13 :: 1.417	 	HG21 :: 0.813	
			 	HG22 :: 0.813	 	HG23 :: 0.813	 	HD11 :: 0.680	 	HD12 :: 0.680	 	HD13 :: 0.680	
	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 :: 126.131	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.I80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.59   C 0.39   

	C Shift Assignments>> 	C :: 175.230	 	CA :: 59.248	 	CB :: 40.731	 	CG1 :: 27.822	 	CG2 :: 18.155	 	CD1 :: 14.017	
	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 :: 8.159	 	HA :: 4.223	 	HB :: 1.533	 	HG12 :: 1.155	 	HG13 :: 0.758	 	HG21 :: 0.830	
			 	HG22 :: 0.830	 	HG23 :: 0.830	 	HD11 :: 0.604	 	HD12 :: 0.604	 	HD13 :: 0.604	
	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 :: 129.736	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.K81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.34   C 0.33   K 0.28   G 0.01   M 0.01   

	C Shift Assignments>> 	C :: 175.244	 	CA :: 56.928	 	CB :: 30.220	 	CG :: 25.744	 	CD :: 29.434	 	CE :: 42.437	
	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 :: 9.105	 	HA :: 3.269	 	HB2 :: 1.932	 	HB3 :: 1.877	 	HG2 :: 1.473	 	HG3 :: 1.421	
			 	HD2 :: 1.733	 	HD3 :: 1.604	 	HE2 :: 3.023	 	HE3 :: 3.023	
	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 :: 124.653	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.A82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.51   M 0.37   C 0.05   L 0.03   V 0.01   

	C Shift Assignments>> 	C :: 176.867	 	CA :: 54.322	 	CB :: 19.898	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.133	 	HA :: 3.742	 	HB1 :: 1.329	 	HB2 :: 1.329	 	HB3 :: 1.329	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 119.852	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.K83	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	K 0.44   C 0.41   R 0.1   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 176.612	 	CA :: 53.601	 	CB :: 35.388	 	CG :: 24.570	 	CD :: 28.849	 	CE :: 41.854	
	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 :: 5.518(S)	 	HA :: 4.547	 	HB2 :: 1.728	 	HB3 :: 0.766(S)	 	HG2 :: 1.136	 	HG3 :: 1.047	
			 	HD2 :: 1.476	 	HD3 :: 1.439	 	HE2 :: 2.757	 	HE3 :: 2.687	
	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 :: 117.543	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.D84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.25   Y 0.25   C 0.19   I 0.08   D 0.07   L 0.06   K 0.02   N 0.02   E 0.01   

	C Shift Assignments>> 	C :: 177.866	 	CA :: 57.577	 	CB :: 39.733	
	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 :: 9.036	 	HA :: 3.946	 	HB2 :: 2.712	 	HB3 :: 2.598	
	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 :: 121.398	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.N85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.28   N 0.25   E 0.14   Y 0.1   M 0.06   F 0.05   D 0.03   K 0.02   I 0.01   

	C Shift Assignments>> 	C :: 175.594	 	CA :: 54.405	 	CB :: 36.929	
	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 :: 8.324	 	HA :: 4.592	 	HB2 :: 2.913	 	HB3 :: 2.683	 	HD21 :: 7.538	 	HD22 :: 6.543	
	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 :: 115.274	 	ND2 :: 112.208	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.F86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.63   F 0.36   

	C Shift Assignments>> 	C :: 176.558	 	CA :: 55.960	 	CB :: 36.867	 	CD1 :: 130.138	 	CD2 :: 130.138	 	CE1 :: 131.685	
			 	CE2 :: 131.685	 	CZ :: 129.630	
	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 :: 8.064	 	HA :: 4.762	 	HB2 :: 3.328	 	HB3 :: 3.197	 	HD1 :: 7.214	 	HD2 :: 7.214	
			 	HE1 :: 7.356	 	HE2 :: 7.356	 	HZ :: 6.920	
	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 :: 116.339	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.A87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.63   M 0.27   C 0.04   L 0.03   

	C Shift Assignments>> 	C :: 176.972	 	CA :: 53.421	 	CB :: 20.014	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.637	 	HA :: 4.169	 	HB1 :: 1.660	 	HB2 :: 1.660	 	HB3 :: 1.660	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.330	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.G88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.5   L 0.19   R 0.14   C 0.1   F 0.01   D 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 170.897	 	CA :: 44.605	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 9.046	 	HA2 :: 4.479	 	HA3 :: 3.875	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.180	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.N89	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.26   L 0.22   K 0.14   C 0.1   N 0.07   R 0.06   F 0.06   Y 0.05   

	C Shift Assignments>> 	C :: 173.469	 	CA :: 53.949	 	CB :: 41.695	
	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 :: 8.069	 	HA :: 5.178	 	HB2 :: 2.652	 	HB3 :: 2.451	 	HD21 :: 6.546	 	HD22 :: 7.954	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 118.747	 	ND2 :: 112.324	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.Y90	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	Y 0.44   C 0.37   G 0.17   

	C Shift Assignments>> 	C :: 174.703	 	CA :: 56.696	 	CB :: 43.443	 	CD1 :: 133.118	 	CD2 :: 133.118	 	CE1 :: 116.590	
			 	CE2 :: 116.590	
	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 :: 9.069	 	HA :: 4.949	 	HB2 :: 2.121	 	HB3 :: 1.051(S)	 	HD1 :: 6.838	 	HD2 :: 6.838	
			 	HE1 :: 6.632	 	HE2 :: 6.632	
	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 :: 125.385	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.R91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.48   K 0.34   R 0.1   G 0.06   

	C Shift Assignments>> 	CA :: 54.666	 	CB :: 34.603	 	CG :: 28.633	 	CD :: 42.954	
	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 :: 8.958	 	HA :: 5.331	 	HB2 :: 1.765	 	HB3 :: 1.677	 	HG2 :: 1.464	 	HG3 :: 1.381	
			 	HD2 :: 2.898	 	HD3 :: 2.967	
	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 :: 115.946	
	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.C92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.15   R 0.15   W 0.13   E 0.12   C 0.12   Q 0.11   M 0.09   K 0.07   I 0.01   

	HN Overlap>>	 1.S102 1.S102

	C Shift Assignments>> 	CA :: 56.151	 	CB :: 30.561	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.888	 	HA :: 5.329	 	HB2 :: 2.269	 	HB3 :: 2.320	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 114.895	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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

	PRTL>>	C 0.6   M 0.23   E 0.15   

	C Shift Assignments>> 	C :: 174.995	 	CA :: 54.526	 	CB :: 33.280	 	CG :: 36.628	
	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 :: 9.155	 	HA :: 4.976	 	HB2 :: 2.075	 	HB3 :: 1.985	 	HG2 :: 2.265	 	HG3 :: 2.218	
	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)



1.V94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	C 0.59   V 0.39   

	C Shift Assignments>> 	CA :: 58.886	 	CB :: 34.744	 	CG1 :: 21.202	 	CG2 :: 21.816	
	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 :: 8.835	 	HA :: 4.988	 	HB :: 1.285	 	HG11 :: 0.249	 	HG12 :: 0.249	 	HG13 :: 0.249	
			 	HG21 :: 0.367	 	HG22 :: 0.367	 	HG23 :: 0.367	
	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)



1.T95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	T 0.89   C 0.1   

	C Shift Assignments>> 	CA :: 60.852	 	CB :: 70.878	 	CG2 :: 21.239	
	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 :: 8.377	 	HA :: 4.986	 	HB :: 3.969	 	HG21 :: 1.252	 	HG22 :: 1.252	 	HG23 :: 1.252	
	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.Y96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.6   C 0.39   

	C Shift Assignments>> 	C :: 173.430	 	CA :: 56.578	 	CB :: 40.149	 	CD1 :: 132.186	 	CD2 :: 132.186	 	CE1 :: 118.254	
			 	CE2 :: 118.254	
	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 :: 8.442	 	HA :: 4.837	 	HB2 :: 2.700	 	HB3 :: 2.700	 	HD1 :: 6.883	 	HD2 :: 6.883	
			 	HE1 :: 6.873	 	HE2 :: 6.873	
	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 :: 124.230	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.K97	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.45   K 0.26   R 0.25   L 0.01   

	HN Overlap>>	 1.I79 1.I79

	C Shift Assignments>> 	CA :: 58.636	 	CB :: 29.129	 	CG :: 25.128	 	CD :: 29.459	 	CE :: 41.632	
	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 :: 9.018	 	HA :: 3.391	 	HB2 :: 1.599	 	HB3 :: 1.553	 	HG2 :: 0.767	 	HG3 :: 0.344(S)	
			 	HD2 :: 1.422	 	HD3 :: 1.379	 	HE2 :: 2.757	 	HE3 :: 2.721	
	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 :: 126.168	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.D98	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.26   N 0.22   C 0.14   Y 0.11   F 0.11   L 0.09   K 0.02   

	C Shift Assignments>> 	C :: 175.060	 	CA :: 54.373	 	CB :: 39.787	
	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 :: 8.649	 	HA :: 4.535	 	HB2 :: 2.913	 	HB3 :: 2.675	
	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 :: 118.972	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.K99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   K 0.34   R 0.22   G 0.01   M 0.01   

	HN Overlap>>	 1.Q15 1.Q15

	C Shift Assignments>> 	C :: 175.014	 	CA :: 55.037	 	CB :: 35.577	 	CG :: 25.105	 	CD :: 28.986	 	CE :: 42.380	
	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 :: 8.287	 	HA :: 4.823	 	HB2 :: 2.100	 	HB3 :: 1.723	 	HG2 :: 1.531	 	HG3 :: 1.455	
			 	HD2 :: 1.630	 	HD3 :: 1.630	 	HE2 :: 3.023	 	HE3 :: 3.023	
	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 :: 120.135	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.F100	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.54   C 0.3   G 0.15   

	HN Overlap>>	 1.I11 1.I11

	C Shift Assignments>> 	C :: 173.476	 	CA :: 56.158	 	CB :: 43.422	 	CD1 :: 132.163	 	CD2 :: 132.163	 	CE1 :: 130.856	
			 	CE2 :: 130.856	 	CZ :: 129.140	
	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 :: 8.213	 	HA :: 5.465	 	HB2 :: 2.778	 	HB3 :: 3.038	 	HD1 :: 7.129	 	HD2 :: 7.129	
			 	HE1 :: 7.219	 	HE2 :: 7.219	 	HZ :: 7.056	
	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 :: 121.500	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.D101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.8   C 0.08   L 0.08   R 0.01   

	C Shift Assignments>> 	C :: 173.230	 	CA :: 52.662	 	CB :: 45.651	
	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 :: 8.361	 	HA :: 4.813	 	HB2 :: 2.380	 	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 :: 124.762	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.S102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.84   T 0.15   

	HN Overlap>>	 1.C92 1.C92

	C Shift Assignments>> 	C :: 173.145	 	CA :: 56.599	 	CB :: 66.567	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.838	 	HA :: 5.682	 	HB2 :: 3.811	 	HB3 :: 3.811	
	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 :: 114.893	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.C103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.14   E 0.14   W 0.14   H 0.13   C 0.12   Q 0.11   M 0.07   K 0.07   I 0.01   V 0.01   

	C Shift Assignments>> 	C :: 172.366	 	CA :: 57.098	 	CB :: 30.467	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.937	 	HA :: 4.965	 	HB2 :: 2.916	 	HB3 :: 2.916	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 119.085	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.S104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.97   T 0.02   

	C Shift Assignments>> 	C :: 173.526	 	CA :: 57.272	 	CB :: 65.594	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.768	 	HA :: 5.534	 	HB2 :: 3.842	 	HB3 :: 3.842	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 118.691	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.F105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.61   F 0.38   

	C Shift Assignments>> 	C :: 171.482	 	CA :: 56.543	 	CB :: 39.467	 	CD1 :: 132.381	 	CD2 :: 132.381	 	CE1 :: 133.116	
			 	CE2 :: 133.116	 	CZ :: 128.619	
	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 :: 8.680	 	HA :: 4.855	 	HB2 :: 2.507	 	HB3 :: 3.062	 	HD1 :: 6.423	 	HD2 :: 6.423	
			 	HE1 :: 6.744	 	HE2 :: 6.744	 	HZ :: 6.793	
	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 :: 120.868	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.D106	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.46   L 0.23   C 0.12   R 0.1   D 0.04   F 0.01   

	HN Overlap>>	 1.E34 1.E34

	C Shift Assignments>> 	C :: 174.644	 	CA :: 53.726	 	CB :: 44.665	
	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 :: 8.557	 	HA :: 5.647(S)	 	HB2 :: 2.574	 	HB3 :: 2.574	
	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 :: 119.099	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.L107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.45   C 0.28   L 0.24   A 0.01   

	C Shift Assignments>> 	C :: 176.478	 	CA :: 53.318	 	CB :: 46.311	 	CG :: 27.698	 	CD1 :: 25.679	 	CD2 :: 24.027	
	Ave C Shift Values>> 	C :: 176.97(2.09) 	CA :: 55.65(2.21) 	CB :: 42.37(1.86) 	CG :: 26.77(1.25) 	CD1 :: 24.73(1.71) 	CD2 :: 24.1(1.78)

	H Shift Assignments>> 	H :: 9.116	 	HA :: 5.411	 	HB2 :: 2.308	 	HB3 :: 1.262	 	HG :: 1.369	 	HD11 :: 0.865	
			 	HD12 :: 0.865	 	HD13 :: 0.865	 	HD21 :: 1.108	 	HD22 :: 1.108	 	HD23 :: 1.108	
	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 :: 121.225	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.E108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.42   M 0.26   E 0.26   Q 0.02   K 0.01   

	C Shift Assignments>> 	C :: 174.720	 	CA :: 54.872	 	CB :: 32.164	 	CG :: 36.294	
	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 :: 8.743	 	HA :: 4.838	 	HB2 :: 2.057	 	HB3 :: 1.992	 	HG2 :: 2.346	 	HG3 :: 2.215	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 128.407	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.V109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.55   C 0.44   

	C Shift Assignments>> 	C :: 175.574	 	CA :: 60.447	 	CB :: 33.518	 	CG1 :: 21.370	 	CG2 :: 19.770	
	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 :: 8.527	 	HA :: 5.115	 	HB :: 1.922	 	HG11 :: 0.603	 	HG12 :: 0.603	 	HG13 :: 0.603	
			 	HG21 :: 0.740	 	HG22 :: 0.740	 	HG23 :: 0.740	
	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 :: 122.606	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.H110	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.57   H 0.32   W 0.09   

	C Shift Assignments>> 	C :: 174.665	 	CA :: 53.843	 	CB :: 33.516	 	CD2 :: 117.672	 	CE1 :: 138.212	
	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 :: 8.918	 	HA :: 5.025	 	HB2 :: 3.157	 	HB3 :: 2.837	 	HD2 :: 6.843	 	HE1 :: 7.887	
	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 :: 126.747	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.E111	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.36   C 0.34   M 0.13   K 0.06   Q 0.04   I 0.03   

	C Shift Assignments>> 	C :: 176.282	 	CA :: 56.573	 	CB :: 30.595	 	CG :: 36.205	
	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 :: 8.738	 	HA :: 4.302	 	HB2 :: 2.110	 	HB3 :: 1.969	 	HG2 :: 2.327	 	HG3 :: 2.291	
	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 :: 121.838	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.S112	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.971	 	CA :: 58.178	 	CB :: 63.894	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.692	 	HA :: 4.521	 	HB2 :: 3.916	 	HB3 :: 3.882	
	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 :: 116.516	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.T113	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.93   C 0.06   

	C Shift Assignments>> 	C :: 175.142	 	CA :: 61.971	 	CB :: 69.683	 	CG2 :: 21.619	
	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 :: 8.374	 	HA :: 4.397	 	HB :: 4.289	 	HG21 :: 1.213	 	HG22 :: 1.213	 	HG23 :: 1.213	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 115.929	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.G114	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.77   L 0.09   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 174.219	 	CA :: 45.279	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.476	 	HA2 :: 4.029	 	HA3 :: 4.029	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.191	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.T115	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.92   C 0.07   

	C Shift Assignments>> 	C :: 174.596	 	CA :: 61.643	 	CB :: 69.933	 	CG2 :: 21.562	
	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 :: 8.133	 	HA :: 4.397	 	HB :: 4.191	 	HG21 :: 1.168	 	HG22 :: 1.168	 	HG23 :: 1.168	
	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 :: 113.751	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.T116	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.86   C 0.13   

	C Shift Assignments>> 	C :: 172.814	 	CA :: 59.801	 	CB :: 69.721	 	CG2 :: 21.375	
	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 :: 8.342	 	HA :: 4.620	 	HB :: 4.151	 	HG21 :: 1.242	 	HG22 :: 1.242	 	HG23 :: 1.242	
	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 :: 119.490	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.P117	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.8   C 0.19   

	C Shift Assignments>> 	C :: 176.474	 	CA :: 63.162	 	CB :: 32.186	 	CG :: 27.289	 	CD :: 51.061	
	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 :: 4.403	 	HB2 :: 2.280	 	HB3 :: 1.880	 	HG2 :: 2.019	 	HG3 :: 1.982	 	HD2 :: 3.849	
			 	HD3 :: 3.716	
	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.N118	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.41   D 0.19   C 0.16   Y 0.08   F 0.07   L 0.04   E 0.01   

	HN Overlap>>	 1.L37 1.L37

	C Shift Assignments>> 	C :: 175.262	 	CA :: 53.352	 	CB :: 38.827	
	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 :: 8.568	 	HA :: 4.678	 	HB2 :: 2.818	 	HB3 :: 2.745	 	HD21 :: 7.634	 	HD22 :: 6.956	
	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 :: 119.452	 	ND2 :: 113.228	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.I119	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.69   C 0.3   

	C Shift Assignments>> 	C :: 175.873	 	CA :: 61.127	 	CB :: 38.905	 	CG1 :: 27.115	 	CG2 :: 17.530	 	CD1 :: 13.114	
	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 :: 8.178	 	HA :: 4.190	 	HB :: 1.878	 	HG12 :: 1.422	 	HG13 :: 1.161	 	HG21 :: 0.891	
			 	HG22 :: 0.891	 	HG23 :: 0.891	 	HD11 :: 0.854	 	HD12 :: 0.854	 	HD13 :: 0.854	
	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 :: 121.377	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.D120	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.26   L 0.2   K 0.13   C 0.1   N 0.08   F 0.08   Y 0.06   R 0.04   

	C Shift Assignments>> 	C :: 176.220	 	CA :: 54.346	 	CB :: 41.279	
	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 :: 8.434	 	HA :: 4.666	 	HB2 :: 2.740	 	HB3 :: 2.626	
	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 :: 124.349	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.S121	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.801	 	CA :: 58.357	 	CB :: 63.894	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.292	 	HA :: 4.472	 	HB2 :: 3.922	 	HB3 :: 3.861	
	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 :: 116.817	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G122	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.56   L 0.17   R 0.11   C 0.09   F 0.01   D 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 171.881	 	CA :: 44.726	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.339	 	HA2 :: 4.106	 	HA3 :: 4.106	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.740	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.P123	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.81   C 0.18   

	C Shift Assignments>> 	C :: 177.283	 	CA :: 63.186	 	CB :: 32.012	 	CG :: 27.168	 	CD :: 49.701	
	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 :: 4.474	 	HB2 :: 2.257	 	HB3 :: 2.002	 	HG2 :: 1.993	 	HG3 :: 1.993	 	HD2 :: 3.574	
			 	HD3 :: 3.574	
	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.S124	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.T18 1.T18

	C Shift Assignments>> 	C :: 174.704	 	CA :: 58.296	 	CB :: 63.928	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.540	 	HA :: 4.499	 	HB2 :: 3.922	 	HB3 :: 3.922	
	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 :: 116.628	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.S125	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.957	 	CA :: 58.330	 	CB :: 64.071	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.372	 	HA :: 4.499	 	HB2 :: 3.938	 	HB3 :: 3.938	
	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 :: 117.954	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G126	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.11   L 0.05   

	C Shift Assignments>> 	C :: 179.025	 	CA :: 46.219	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.078	 	HA2 :: 3.796	 	HA3 :: 3.753	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 116.874	
	Ave N Shift Values>> 	N :: 109.91(4.29)





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

Overall Results:

	      #Consistent: 114      #Clerical:   0      #Suspicious:  11      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 121      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   5


Shift Relative Order (SRO) Results:

	      #Consistent: 125      #Suspicious:   1


C Shift Results:

	      #Consistent: 549      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


H Shift Results:

	      #Consistent: 854      #Duplicate:   0      #Unknown:   0      #Suspicious:  11      #Anomalous:   0


N Shift Results:

	      #Consistent: 114      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.P14	HB3 = 0.741(S),	 Expected =  2.05, Std = 0.3900, ChiSquare = 7.8961e-04
1.K30	HA = 5.972(S),	 Expected =  4.28, Std = 0.4500, ChiSquare = 1.6991e-04
1.K39	C = 168.983(A),	 Expected = 176.46, Std = 2.0500, ChiSquare = 2.6499e-04
1.I42	HB = -0.058(S),	 Expected =  1.80, Std = 0.3100, ChiSquare = 2.0531e-09
1.K46	HG3 = 0.086(S),	 Expected =  1.37, Std = 0.2900, ChiSquare = 9.5293e-06
1.K48	HB3 = 0.792(S),	 Expected =  1.78, Std = 0.2600, ChiSquare = 1.4470e-04
1.R68	SRO Rule Break>>  HA > HD2 : 0.991153846153846
1.M77	HB3 = -0.551(S),	 Expected =  2.01, Std = 0.3600, ChiSquare = 1.1282e-12
1.K83	H = 5.518(S),	 Expected =  8.22, Std = 0.6400, ChiSquare = 2.4228e-05
1.K83	HB3 = 0.766(S),	 Expected =  1.78, Std = 0.2600, ChiSquare = 9.6193e-05
1.Y90	HB3 = 1.051(S),	 Expected =  2.91, Std = 0.3700, ChiSquare = 5.0521e-07
1.K97	HG3 = 0.344(S),	 Expected =  1.37, Std = 0.2900, ChiSquare = 4.0328e-04
1.D106	HA = 5.647(S),	 Expected =  4.61, Std = 0.3100, ChiSquare = 8.2235e-04