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


1.A1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.9   M 0.07   C 0.01   

	C Shift Assignments>> 	C :: 176.908	 	CA :: 51.862	 	CB :: 19.263	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.373	 	HA :: 4.256	 	HB1 :: 1.430	 	HB2 :: 1.430	 	HB3 :: 1.430	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.541	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.V2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.66   C 0.33   

	C Shift Assignments>> 	C :: 177.357	 	CA :: 62.306	 	CB :: 31.970	 	CG1 :: 20.760	 	CG2 :: 20.760	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.351	 	HA :: 4.193	 	HB :: 2.008	 	HG11 :: 1.017	 	HG12 :: 1.017	 	HG13 :: 1.017	
			 	HG21 :: 1.002	 	HG22 :: 1.002	 	HG23 :: 1.002	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 119.732	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.A3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.93   M 0.03   C 0.01   

	C Shift Assignments>> 	C :: 177.764	 	CA :: 51.050	 	CB :: 19.519	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.488	 	HA :: 4.518	 	HB1 :: 1.097	 	HB2 :: 1.097	 	HB3 :: 1.097	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 130.173	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.T4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.71   C 0.25   S 0.02   

	C Shift Assignments>> 	CA :: 59.610	 	CB :: 67.873	 	CG2 :: 21.58	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.276	 	HA :: 4.587	 	HB :: 4.770	 	HG21 :: 1.328	 	HG22 :: 1.328	 	HG23 :: 1.328	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 116.112	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.83   C 0.15   

	C Shift Assignments>> 	C :: 179.911	 	CA :: 65.458	 	CB :: 31.360	 	CG :: 28.03	 	CD :: 49.60	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.176	 	HB2 :: 1.835	 	HB3 :: 2.343	 	HG2 :: 2.026	 	HG3 :: 2.223	 	HD2 :: 3.940	
			 	HD3 :: 3.873	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



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

	PRTL>>	C 0.36   I 0.3   E 0.25   K 0.05   Q 0.02   

	C Shift Assignments>> 	C :: 178.892	 	CA :: 59.845	 	CB :: 28.425	 	CG :: 36.402	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.561	 	HA :: 3.989	 	HB2 :: 2.010	 	HB3 :: 1.859	 	HG2 :: 2.348	 	HG3 :: 2.161	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 117.710	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.E7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   E 0.32   I 0.22   K 0.05   Q 0.01   

	C Shift Assignments>> 	C :: 180.410	 	CA :: 58.441	 	CB :: 28.622	 	CG :: 36.934	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.785	 	HA :: 3.825	 	HB2 :: 2.380	 	HB3 :: 1.663	 	HG2 :: 2.235	 	HG3 :: 2.190	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 120.30	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.L8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.52   C 0.44   R 0.02   A 0.01   

	C Shift Assignments>> 	C :: 179.064	 	CA :: 57.092	 	CB :: 41.261	 	CG :: 26.730	 	CD1 :: 22.920	 	CD2 :: 25.720	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.044	 	HA :: 3.792	 	HB2 :: 1.731	 	HG :: 1.395	 	HD11 :: 0.522	 	HD12 :: 0.522	
			 	HD13 :: 0.522	 	HD21 :: 0.550	 	HD22 :: 0.550	 	HD23 :: 0.550	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 119.888	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	A 0.52   M 0.44   C 0.01   I 0.01   

	C Shift Assignments>> 	C :: 179.696	 	CA :: 54.096	 	CB :: 17.762	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.931	 	HA :: 4.095	 	HB1 :: 1.435	 	HB2 :: 1.435	 	HB3 :: 1.435	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.832	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.V10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.68   C 0.31   

	C Shift Assignments>> 	C :: 176.816	 	CA :: 63.026	 	CB :: 31.555	 	CG1 :: 20.231	 	CG2 :: 20.231	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 7.504	 	HA :: 3.925	 	HB :: 2.023	 	HG11 :: 0.923	 	HG12 :: 0.923	 	HG13 :: 0.923	
			 	HG21 :: 0.923	 	HG22 :: 0.923	 	HG23 :: 0.923	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 114.076	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.N11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   N 0.23   F 0.16   L 0.15   C 0.09   K 0.01   I 0.01   

	C Shift Assignments>> 	C :: 174.524	 	CA :: 54.744	 	CB :: 39.929	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 7.395	 	HA :: 4.343	 	HB2 :: 2.678	 	HB3 :: 2.508	 	HD21 :: 8.035	 	HD22 :: 7.493	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 118.954	 	ND2 :: 118.90	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.N12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.62   D 0.14   C 0.1   F 0.06   L 0.03   M 0.01   E 0.01   

	C Shift Assignments>> 	C :: 174.051	 	CA :: 52.870	 	CB :: 38.404	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 8.108	 	HA :: 4.555	 	HB2 :: 2.841	 	HB3 :: 2.542	 	HD21 :: 7.515	 	HD22 :: 6.732	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 116.973	 	ND2 :: 111.95	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.D13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.34   L 0.27   K 0.12   N 0.09   F 0.06   R 0.05   C 0.04   

	C Shift Assignments>> 	C :: 176.001	 	CA :: 53.287	 	CB :: 41.814	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 7.764	 	HA :: 4.664	 	HB2 :: 2.555	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 117.408	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.D14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.35   L 0.24   K 0.11   N 0.11   F 0.08   C 0.05   R 0.02   

	C Shift Assignments>> 	C :: 176.153	 	CA :: 53.823	 	CB :: 41.349	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.377	 	HA :: 4.367	 	HB2 :: 2.299	 	HB3 :: 2.154	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 119.861	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	C 0.21   W 0.16   E 0.11   R 0.11   H 0.09   V 0.08   K 0.07   Q 0.05   M 0.05   I 0.02   

	C Shift Assignments>> 	C :: 177.113	 	CA :: 59.495	 	CB :: 30.993	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.148	 	HA :: 3.953	 	HB2 :: 3.422	 	HB3 :: 2.508	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 123.739	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.A16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.82   M 0.16   C 0.01   

	C Shift Assignments>> 	C :: 176.069	 	CA :: 52.034	 	CB :: 18.092	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.598	 	HA :: 2.975	 	HB1 :: 1.099	 	HB2 :: 1.099	 	HB3 :: 1.099	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 130.969	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.I17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.82   C 0.17   

	C Shift Assignments>> 	C :: 175.902	 	CA :: 63.538	 	CB :: 38.361	 	CG1 :: 27.480	 	CG2 :: 16.665	 	CD1 :: 12.900	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.252	 	HA :: 3.753	 	HB :: 1.710	 	HG12 :: 1.100	 	HG13 :: 0.278	 	HG21 :: 0.964	
			 	HG22 :: 0.964	 	HG23 :: 0.964	 	HD11 :: 0.298	 	HD12 :: 0.298	 	HD13 :: 0.298	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 117.963	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.C18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.17   K 0.14   M 0.13   R 0.13   W 0.11   H 0.11   E 0.09   Q 0.05   V 0.03   

	C Shift Assignments>> 	C :: 175.507	 	CA :: 57.709	 	CB :: 31.889	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.359	 	HA :: 4.720	 	HB2 :: 3.194	 	HB3 :: 2.991	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 115.918	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.W19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.89   W 0.09   

	C Shift Assignments>> 	C :: 173.833	 	CA :: 57.809	 	CB :: 25.109	 	CD1 :: 125.812	 	CE3 :: 118.064	 	CZ2 :: 114.351	
			 	CZ3 :: 117.967	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 8.325	 	HA :: 4.416	 	HB2 :: 3.463	 	HD1 :: 6.975	 	HE1 :: 9.613	 	HE3 :: 7.663	
			 	HZ2 :: 7.476	 	HZ3 :: 6.833	 	HH2 :: 7.358	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 120.670	 	NE1 :: 127.378	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.D20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.4   L 0.25   R 0.13   D 0.12   C 0.04   F 0.01   N 0.01   

	HN Overlap>>	 1.C52 1.C52

	C Shift Assignments>> 	C :: 176.422	 	CA :: 51.934	 	CB :: 43.811	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.623	 	HA :: 5.281	 	HB2 :: 2.937	 	HB3 :: 2.893	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 120.742	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.621	 	CA :: 58.267	 	CB :: 63.339	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.589	 	HA :: 4.376	 	HB2 :: 3.925	 	HB3 :: 3.840	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 116.315	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.M22	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	M 0.4   C 0.34   A 0.24   

	C Shift Assignments>> 	C :: 174.817	 	CA :: 54.755	 	CB :: 34.15	 	CG :: 30.31	 	CE :: 17.002	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 9.040	 	HA :: 4.587	 	HB2 :: 1.704	 	HB3 :: 1.445	 	HG2 :: 0.826(S)	 	HE1 :: 2.052	
			 	HE2 :: 2.052	 	HE3 :: 2.052	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 120.5	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.Q23	Overall: Suspicious 	Typing: Suspicious 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.34   E 0.15   R 0.05   M 0.04   

	C Shift Assignments>> 	C :: 174.715	 	CA :: 55.716	 	CB :: 34.238	 	CG :: 28.845(S)	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 9.442	 	HA :: 4.316	 	HB2 :: 2.313	 	HB3 :: 2.377	 	HG2 :: 2.185	 	HG3 :: 1.981	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 123.32	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.A24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.87   L 0.06   C 0.04   

	C Shift Assignments>> 	C :: 175.941	 	CA :: 51.107	 	CB :: 21.073	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.727	 	HA :: 4.440	 	HB1 :: 1.371	 	HB2 :: 1.371	 	HB3 :: 1.371	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.381	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.A25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.44   P 0.18   C 0.16   K 0.13   R 0.03   A 0.01   Q 0.01   

	C Shift Assignments>> 	C :: 176.921	 	CA :: 51.450	 	CB :: 24.919	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 9.036	 	HA :: 4.767	 	HB1 :: 1.143	 	HB2 :: 1.143	 	HB3 :: 1.143	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.845	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	K 0.35   C 0.32   R 0.29   G 0.02   

	C Shift Assignments>> 	C :: 173.757	 	CA :: 52.842	 	CB :: 32.294	 	CG :: 26.116	 	CD :: 42.268	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 8.956	 	HA :: 5.019	 	HB2 :: 1.657	 	HB3 :: 1.506	 	HG2 :: 1.750	 	HD2 :: 3.140	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 118.863	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



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

	PRTL>>	C 0.48   K 0.46   A 0.03   

	C Shift Assignments>> 	C :: 175.871	 	CA :: 54.051	 	CB :: 35.190	 	CG :: 23.782	 	CD :: 28.847	 	CE :: 41.190	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.811	 	HA :: 4.739	 	HB2 :: 1.608	 	HB3 :: 1.031	 	HG2 :: 1.330	 	HG3 :: 1.068	
			 	HD2 :: 1.555	 	HD3 :: 1.444	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 122.217	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.L28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.44   A 0.28   C 0.25   K 0.01   

	C Shift Assignments>> 	CA :: 53.405	 	CB :: 41.461	 	CG :: 27.000	 	CD1 :: 22.050	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.601	 	HA :: 4.440	 	HB2 :: 2.377	 	HB3 :: 1.557	 	HG :: 1.700	 	HD11 :: 0.156	
			 	HD12 :: 0.156	 	HD13 :: 0.156	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 125.979	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.P29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.83   C 0.16   

	C Shift Assignments>> 	C :: 177.342	 	CA :: 65.233	 	CB :: 30.985	 	CG :: 27.800	 	CD :: 49.600	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.331	 	HB2 :: 2.507	 	HB3 :: 1.893	 	HG2 :: 2.250	 	HD2 :: 3.852	 	HD3 :: 3.578	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.C30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.15   H 0.13   C 0.13   M 0.13   W 0.11   E 0.11   K 0.11   Q 0.08   V 0.01   

	HN Overlap>>	 1.Q45 1.Q45

	C Shift Assignments>> 	C :: 176.147	 	CA :: 56.608	 	CB :: 31.316	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.551	 	HA :: 4.300	 	HB2 :: 3.007	 	HB3 :: 2.883	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 113.186	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.G31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.4   L 0.27   R 0.19   C 0.04   F 0.03   D 0.03   

	C Shift Assignments>> 	C :: 173.545	 	CA :: 44.284	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.292	 	HA2 :: 4.088	 	HA3 :: 3.210	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 111.358	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.H32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   W 0.33   H 0.13   

	C Shift Assignments>> 	C :: 172.823	 	CA :: 59.904	 	CB :: 30.690	 	CD2 :: 118.00	 	CE1 :: 134.05	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 7.824	 	HA :: 4.500	 	HB2 :: 3.247	 	HB3 :: 2.942	 	HD2 :: 6.990	 	HE1 :: 7.249	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 122.287	 	ND1 :: 192.34	 	NE2 :: 181.78	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.L33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.43   L 0.42   C 0.12   

	C Shift Assignments>> 	C :: 174.149	 	CA :: 52.859	 	CB :: 44.539	 	CG :: 26.600	 	CD1 :: 24.714	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.060	 	HA :: 5.053	 	HB2 :: 1.200	 	HB3 :: 0.774	 	HG :: 1.478	 	HD11 :: 0.826	
			 	HD12 :: 0.826	 	HD13 :: 0.826	 	HD21 :: 0.493	 	HD22 :: 0.493	 	HD23 :: 0.493	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 121.280	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.F34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.86   C 0.07   F 0.05   

	C Shift Assignments>> 	C :: 175.995	 	CA :: 56.591	 	CB :: 45.337	 	CD2 :: 130.934	 	CE2 :: 132.70	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 8.038	 	HA :: 5.082	 	HB2 :: 3.171	 	HB3 :: 2.139	 	HD2 :: 7.045	 	HE2 :: 7.045	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 113.606	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.H35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.67   W 0.27   H 0.05   

	C Shift Assignments>> 	C :: 176.424	 	CA :: 59.463	 	CB :: 31.693	 	CD2 :: 117.655	 	CE1 :: 132.678	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 7.950	 	HA :: 4.599	 	HB2 :: 3.688	 	HB3 :: 3.801	 	HD2 :: 7.642	 	HE1 :: 7.041	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 117.644	 	ND1 :: 190.265	 	NE2 :: 184.320	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.N36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.42   C 0.22   I 0.17   L 0.07   D 0.07   N 0.01   

	C Shift Assignments>> 	C :: 177.025	 	CA :: 58.193	 	CB :: 39.535	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 9.457	 	HA :: 4.137	 	HB2 :: 2.839	 	HD21 :: 7.650	 	HD22 :: 7.206	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 120.823	 	ND2 :: 113.950	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.S37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 177.742	 	CA :: 60.941	 	CB :: 61.063	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 9.004	 	HA :: 4.743	 	HB2 :: 4.040	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 113.173	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.C38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.43   P 0.23   C 0.17   W 0.06   V 0.02   K 0.01   E 0.01   R 0.01   H 0.01   

	C Shift Assignments>> 	C :: 177.167	 	CA :: 62.567	 	CB :: 28.422	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 6.758	 	HA :: 3.978	 	HB2 :: 2.965	 	HB3 :: 2.885	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 122.233	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.L39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.5   C 0.45   A 0.02   K 0.01   

	C Shift Assignments>> 	C :: 177.580	 	CA :: 56.862	 	CB :: 41.553	 	CG :: 25.779	 	CD1 :: 22.622	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.456	 	HA :: 3.838	 	HB2 :: 1.850	 	HB3 :: 1.387	 	HG :: 0.719	 	HD11 :: 0.536	
			 	HD12 :: 0.536	 	HD13 :: 0.536	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 120.172	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.R40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.47   R 0.36   G 0.09   K 0.05   

	C Shift Assignments>> 	C :: 177.539	 	CA :: 59.987	 	CB :: 29.540	 	CG :: 26.533	 	CD :: 43.425	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 8.245	 	HA :: 3.852	 	HB2 :: 1.907	 	HG2 :: 1.757	 	HG3 :: 1.592	 	HD2 :: 3.181	
			 	HH11 :: 6.910	 	HH21 :: 6.990	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 118.554	 	NH1 :: 72.304	 	NH2 :: 72.304	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.S41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 177.226	 	CA :: 60.926	 	CB :: 62.189	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.585	 	HA :: 4.202	 	HB2 :: 3.974	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 111.737	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.W42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.5   C 0.47   H 0.02   

	HN Overlap>>	 1.L56 1.L56

	C Shift Assignments>> 	C :: 178.470	 	CA :: 60.187	 	CB :: 29.320	 	CD1 :: 125.352	 	CZ2 :: 113.701	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 8.496	 	HA :: 4.122	 	HB2 :: 3.267	 	HD1 :: 6.706	 	HE1 :: 10.087	 	HE3 :: 7.890	
			 	HZ2 :: 7.173	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 124.863	 	NE1 :: 131.459	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.L43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.49   C 0.38   A 0.1   K 0.01   

	C Shift Assignments>> 	C :: 177.625	 	CA :: 55.528	 	CB :: 41.349	 	CG :: 26.524	 	CD1 :: 22.110	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.429	 	HA :: 4.716	 	HB2 :: 1.900	 	HB3 :: 1.536	 	HG :: 2.024	 	HD11 :: 0.996	
			 	HD12 :: 0.996	 	HD13 :: 0.996	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 116.399	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.33   K 0.1   Q 0.07   I 0.07   M 0.03   

	C Shift Assignments>> 	C :: 176.246	 	CA :: 57.885	 	CB :: 29.538	 	CG :: 36.064	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.210	 	HA :: 4.000	 	HB2 :: 2.045	 	HG2 :: 2.460	 	HG3 :: 2.240	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 115.885	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Q45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.27   C 0.26   Q 0.24   K 0.19   R 0.01   

	HN Overlap>>	 1.C30 1.C30

	C Shift Assignments>> 	C :: 174.459	 	CA :: 54.79	 	CB :: 30.45	 	CG :: 32.657	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.561	 	HA :: 4.419	 	HB2 :: 1.815	 	HB3 :: 1.741	 	HG2 :: 2.059	 	HE21 :: 7.196	
			 	HE22 :: 6.256	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 113.259	 	NE2 :: 112.246	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.D46	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	L 0.35   R 0.23   G 0.15   D 0.14   C 0.04   F 0.03   K 0.02   

	C Shift Assignments>> 	C :: 174.003	 	CA :: 53.607	 	CB :: 43.669	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 7.890	 	HA :: 4.548	 	HB2 :: 1.750(S)	 	HB3 :: 1.581(S)	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 122.118	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.T47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.65   C 0.27   S 0.06   

	C Shift Assignments>> 	C :: 173.484	 	CA :: 59.327	 	CB :: 67.599	 	CG2 :: 21.226	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.841	 	HA :: 4.505	 	HB :: 4.528	 	HG21 :: 1.116	 	HG22 :: 1.116	 	HG23 :: 1.116	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 110.708	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.S48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 172.018	 	CA :: 56.145	 	CB :: 65.617	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.261	 	HA :: 5.248	 	HB2 :: 3.441	 	HB3 :: 3.408	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 117.048	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.C49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.15   H 0.14   C 0.13   M 0.12   W 0.12   E 0.11   K 0.1   Q 0.08   V 0.01   

	C Shift Assignments>> 	CA :: 56.679	 	CB :: 31.228	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.419	 	HA :: 4.008	 	HB2 :: 3.008	 	HB3 :: 2.881	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 122.523	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.P50	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	C 0.61   P 0.36   A 0.01   

	C Shift Assignments>> 	C :: 176.495	 	CA :: 64.442	 	CB :: 31.370	 	CG :: 24.300	 	CD :: 50.205	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 3.638	 	HB2 :: 0.978	 	HB3 :: 0.569(S)	 	HG3 :: 0.922	 	HD2 :: 3.027	 	HD3 :: 2.870	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.T51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.95   C 0.04   

	C Shift Assignments>> 	C :: 174.857	 	CA :: 64.148	 	CB :: 69.237	 	CG2 :: 20.650	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.047	 	HA :: 4.053	 	HB :: 3.163	 	HG21 :: 0.550	 	HG22 :: 0.550	 	HG23 :: 0.550	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 115.817	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.C52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.16   R 0.13   W 0.13   H 0.11   E 0.11   K 0.11   M 0.1   Q 0.06   V 0.03   

	HN Overlap>>	 1.D20 1.D20

	C Shift Assignments>> 	C :: 176.189	 	CA :: 57.980	 	CB :: 31.411	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.564	 	HA :: 4.913	 	HB2 :: 3.335	 	HB3 :: 2.718	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 120.781	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.R53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.68   K 0.26   R 0.03   L 0.01   

	C Shift Assignments>> 	C :: 175.097	 	CA :: 55.911	 	CB :: 30.358	 	CG :: 25.738	 	CD :: 40.556	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 7.817	 	HA :: 4.079	 	HB2 :: 2.108	 	HG2 :: 1.615	 	HG3 :: 1.325	 	HD2 :: 3.146	
			 	HH11 :: 7.110	 	HH21 :: 7.105	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 115.315	 	NH1 :: 75.035	 	NH2 :: 75.035	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.M54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.49   C 0.45   A 0.05   

	C Shift Assignments>> 	C :: 176.606	 	CA :: 56.789	 	CB :: 32.988	 	CG :: 31.405	 	CE :: 17.000	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 8.040	 	HA :: 4.259	 	HB2 :: 2.274	 	HB3 :: 1.847	 	HG2 :: 2.578	 	HE1 :: 2.059	
			 	HE2 :: 2.059	 	HE3 :: 2.059	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 121.598	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.S55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.419	 	CA :: 58.989	 	CB :: 62.934	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.802	 	HA :: 4.356	 	HB2 :: 3.970	 	HB3 :: 3.860	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 120.943	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.L56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.53   C 0.25   A 0.16   K 0.04   

	HN Overlap>>	 1.W42 1.W42

	C Shift Assignments>> 	C :: 176.542	 	CA :: 53.719	 	CB :: 41.475	 	CG :: 27.120	 	CD1 :: 22.455	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.521	 	HA :: 4.609	 	HB2 :: 1.657	 	HG :: 1.773	 	HD11 :: 0.805	 	HD12 :: 0.805	
			 	HD13 :: 0.805	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 124.777	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.N57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.63   D 0.13   C 0.11   F 0.06   L 0.03   M 0.01   E 0.01   

	C Shift Assignments>> 	C :: 175.013	 	CA :: 52.835	 	CB :: 38.313	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 8.432	 	HA :: 4.619	 	HB2 :: 2.839	 	HB3 :: 2.696	 	HD21 :: 7.595	 	HD22 :: 6.872	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 119.143	 	ND2 :: 113.06	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	I 0.66   C 0.33   

	C Shift Assignments>> 	C :: 175.75	 	CA :: 60.729	 	CB :: 38.434	 	CG1 :: 26.795	 	CG2 :: 17.13	 	CD1 :: 13.075	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.125	 	HA :: 4.119	 	HB :: 1.851	 	HG12 :: 1.530	 	HG13 :: 1.125	 	HG21 :: 1.521	
			 	HG22 :: 1.521	 	HG23 :: 1.521	 	HD11 :: 0.852	 	HD12 :: 0.852	 	HD13 :: 0.852	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 120.747	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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





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

Overall Results:

	      #Consistent:  54      #Clerical:   0      #Suspicious:   4      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  57      #Suspicious:   1      #Mistyped:   0      #Indeterminable:   0


Shift Relative Order (SRO) Results:

	      #Consistent:  58      #Suspicious:   0


C Shift Results:

	      #Consistent: 231      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


H Shift Results:

	      #Consistent: 348      #Duplicate:   0      #Unknown:   0      #Suspicious:   4      #Anomalous:   0


N Shift Results:

	      #Consistent:  70      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.M22	HG2 = 0.826(S),	 Expected =  2.42, Std = 0.3500, ChiSquare = 5.2564e-06
1.Q23	Typing: Suspicious
1.Q23	CG = 28.845(S),	 Expected = 33.76, Std = 1.1100, ChiSquare = 9.5143e-06
1.D46	HB2 = 1.750(S),	 Expected =  2.72, Std = 0.2600, ChiSquare = 1.9090e-04
1.D46	HB3 = 1.581(S),	 Expected =  2.66, Std = 0.2800, ChiSquare = 1.1641e-04
1.P50	HB3 = 0.569(S),	 Expected =  2.00, Std = 0.3600, ChiSquare = 7.0379e-05