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


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




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




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




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




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




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




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

	PRTL>>	G 0.79   C 0.08   L 0.07   R 0.02   

	C Shift Assignments>> 	C :: 174.322	 	CA :: 45.540	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	HA2 :: 3.994	 	HA3 :: 3.994	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)



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

	PRTL>>	L 0.59   C 0.29   R 0.07   G 0.02   A 0.01   

	C Shift Assignments>> 	C :: 177.324	 	CA :: 55.502	 	CB :: 42.341	 	CG :: 26.999	 	CD1 :: 24.994	 	CD2 :: 23.490	
	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 :: 8.088	 	HA :: 4.296	 	HB2 :: 1.475	 	HB3 :: 1.576	 	HG :: 1.576	 	HD11 :: 0.904	
			 	HD12 :: 0.904	 	HD13 :: 0.904	 	HD21 :: 0.851	 	HD22 :: 0.851	 	HD23 :: 0.851	
	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 :: 121.561	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.D9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.26   L 0.17   C 0.11   K 0.1   N 0.1   F 0.1   Y 0.09   R 0.02   

	C Shift Assignments>> 	C :: 176.471	 	CA :: 54.664	 	CB :: 40.847	
	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 :: 8.286	 	HA :: 4.538	 	HB2 :: 2.682	 	HB3 :: 2.593	
	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 :: 120.491	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.Y10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.57   C 0.42   

	C Shift Assignments>> 	C :: 176.329	 	CA :: 59.189	 	CB :: 38.551	 	CD1 :: 133.241	 	CD2 :: 133.241	 	CE1 :: 118.381	
			 	CE2 :: 118.381	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 7.995	 	HA :: 4.378	 	HB2 :: 3.028	 	HB3 :: 3.060	 	HD1 :: 7.103	 	HD2 :: 7.103	
			 	HE1 :: 6.806	 	HE2 :: 6.806	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 120.587	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.Q11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.25   C 0.25   K 0.24   E 0.13   R 0.05   M 0.04   I 0.01   

	C Shift Assignments>> 	C :: 176.458	 	CA :: 56.776	 	CB :: 29.019	 	CG :: 33.939	
	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 :: 8.163	 	HA :: 4.111	 	HB2 :: 1.947	 	HB3 :: 1.947	 	HG2 :: 2.222	 	HG3 :: 2.222	
			 	HE21 :: 6.845	 	HE22 :: 7.499	
	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 :: 120.240	 	NE2 :: 111.992	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



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

	PRTL>>	R 0.43   C 0.36   K 0.11   G 0.07   

	C Shift Assignments>> 	C :: 176.351	 	CA :: 56.851	 	CB :: 30.456	 	CG :: 27.333	 	CD :: 43.351	
	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 :: 7.974	 	HA :: 4.137	 	HB2 :: 1.721	 	HB3 :: 1.721	 	HG2 :: 1.475	 	HG3 :: 1.559	
			 	HD2 :: 3.101	 	HD3 :: 3.101	
	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 :: 120.292	
	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.L13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.58   C 0.28   R 0.07   G 0.03   A 0.01   

	HN Overlap>>	 1.K35 1.K35

	C Shift Assignments>> 	C :: 177.155	 	CA :: 55.517	 	CB :: 42.691	 	CG :: 26.901	 	CD1 :: 24.910	 	CD2 :: 23.323	
	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 :: 7.892	 	HA :: 4.186	 	HB2 :: 1.400	 	HB3 :: 1.142	 	HG :: 1.398	 	HD11 :: 0.814	
			 	HD12 :: 0.814	 	HD13 :: 0.814	 	HD21 :: 0.748	 	HD22 :: 0.748	 	HD23 :: 0.748	
	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 :: 121.292	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.Y14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.55   C 0.43   

	C Shift Assignments>> 	C :: 175.947	 	CA :: 57.371	 	CB :: 39.057	 	CD1 :: 133.385	 	CD2 :: 133.385	 	CE1 :: 118.059	
			 	CE2 :: 118.059	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 7.939	 	HA :: 4.596	 	HB2 :: 2.668	 	HB3 :: 3.036	 	HD1 :: 6.996	 	HD2 :: 6.996	
			 	HE1 :: 6.765	 	HE2 :: 6.765	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 118.392	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.G15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.75   L 0.1   C 0.08   R 0.04   

	C Shift Assignments>> 	C :: 173.388	 	CA :: 45.222	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.036	 	HA2 :: 3.862	 	HA3 :: 3.918	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 109.415	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.T16	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 :: 173.170	 	CA :: 62.309	 	CB :: 69.937	 	CG2 :: 22.355	
	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 :: 8.667	 	HA :: 4.374	 	HB :: 3.998	 	HG21 :: 1.193	 	HG22 :: 1.193	 	HG23 :: 1.193	
	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 :: 117.373	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.R17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.35   R 0.32   K 0.27   G 0.05   

	C Shift Assignments>> 	C :: 175.161	 	CA :: 55.037	 	CB :: 32.779	 	CG :: 27.965	 	CD :: 43.093	
	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 :: 8.703	 	HA :: 4.287	 	HB2 :: 1.238	 	HB3 :: 1.374	 	HG2 :: 0.775	 	HG3 :: 1.081	
			 	HD2 :: 2.792	 	HD3 :: 2.792	
	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 :: 126.161	
	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.C18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.17   R 0.15   E 0.14   M 0.12   K 0.12   H 0.12   Q 0.07   V 0.05   I 0.02   

	C Shift Assignments>> 	C :: 177.334	 	CA :: 58.048	 	CB :: 31.366	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.317	 	HA :: 4.525	 	HB2 :: 3.534	 	HB3 :: 2.304	
	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 :: 125.507	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.F19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.65   C 0.34   

	C Shift Assignments>> 	C :: 175.725	 	CA :: 60.631	 	CB :: 39.423	 	CD1 :: 132.061	 	CD2 :: 132.061	 	CE1 :: 131.480	
			 	CE2 :: 131.480	 	CZ :: 129.897	
	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 :: 9.306	 	HA :: 4.186	 	HB2 :: 3.107	 	HB3 :: 2.317	 	HD1 :: 7.411	 	HD2 :: 7.411	
			 	HE1 :: 7.460	 	HE2 :: 7.460	 	HZ :: 7.371	
	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 :: 131.480	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.S20	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 :: 175.791	 	CA :: 60.519	 	CB :: 64.377	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.609	 	HA :: 4.701	 	HB2 :: 4.340	 	HB3 :: 4.340	
	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 :: 112.292	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.C21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.19   R 0.14   E 0.13   K 0.11   M 0.1   H 0.1   V 0.09   Q 0.06   I 0.03   

	HN Overlap>>	 1.Q23 1.Q23

	C Shift Assignments>> 	C :: 176.008	 	CA :: 58.935	 	CB :: 31.431	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.123	 	HA :: 4.986	 	HB2 :: 3.389	 	HB3 :: 3.034	
	Ave H Shift Values>> 	H :: 8.42(0.66) 	HA :: 4.73(0.57) 	HB2 :: 2.95(0.43) 	HB3 :: 2.98(0.45) 	HG :: 1.66(0.48)

	N Shift Assignments>> 	N :: 117.072	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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

	PRTL>>	K 0.17   L 0.17   F 0.15   D 0.15   C 0.12   Y 0.12   R 0.04   N 0.02   I 0.01   

	C Shift Assignments>> 	C :: 174.595	 	CA :: 56.351	 	CB :: 41.100	
	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 :: 8.121	 	HA :: 4.509	 	HB2 :: 2.972	 	HB3 :: 2.525	
	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 :: 120.568	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	C 0.26   Q 0.25   M 0.21   K 0.15   E 0.09   R 0.01   

	HN Overlap>>	 1.C21 1.C21

	C Shift Assignments>> 	C :: 176.541	 	CA :: 53.933	 	CB :: 30.402	 	CG :: 33.880	
	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 :: 8.116	 	HA :: 4.563	 	HB2 :: 2.473	 	HB3 :: 2.172	 	HG2 :: 2.542	 	HG3 :: 2.542	
			 	HE21 :: 7.489	 	HE22 :: 6.948	
	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 :: 117.058	 	NE2 :: 113.805	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.F24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.61   C 0.38   

	C Shift Assignments>> 	C :: 176.442	 	CA :: 59.674	 	CB :: 39.170	 	CD1 :: 131.254	 	CD2 :: 131.254	 	CE1 :: 131.361	
			 	CE2 :: 131.361	 	CZ :: 129.916	
	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 :: 8.600	 	HA :: 4.574	 	HB2 :: 3.058	 	HB3 :: 2.892	 	HD1 :: 7.153	 	HD2 :: 7.153	
			 	HE1 :: 7.260	 	HE2 :: 7.260	 	HZ :: 7.235	
	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 :: 119.885	
	Ave N Shift Values>> 	N :: 120.69(4.18)



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

	PRTL>>	I 0.69   C 0.3   

	HN Overlap>>	 1.R56 1.R56

	C Shift Assignments>> 	C :: 175.733	 	CA :: 61.505	 	CB :: 38.849	 	CG1 :: 26.648	 	CG2 :: 19.177	 	CD1 :: 14.635	
	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 :: 8.523	 	HA :: 3.922	 	HB :: 1.367	 	HG12 :: -0.563(S)	 	HG13 :: 1.238	 	HG21 :: 0.675	
			 	HG22 :: 0.675	 	HG23 :: 0.675	 	HD11 :: 0.340	 	HD12 :: 0.340	 	HD13 :: 0.340	
	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 :: 123.092	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.37   M 0.14   K 0.04   I 0.03   Q 0.02   

	C Shift Assignments>> 	C :: 176.405	 	CA :: 55.851	 	CB :: 30.755	 	CG :: 36.491	
	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 :: 9.199	 	HA :: 4.516	 	HB2 :: 1.982	 	HB3 :: 2.110	 	HG2 :: 2.208	 	HG3 :: 2.273	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 129.582	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.G27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.64   L 0.14   C 0.09   R 0.08   F 0.01   

	C Shift Assignments>> 	C :: 173.272	 	CA :: 44.916	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.295	 	HA2 :: 3.974	 	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 :: 112.710	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	E 0.36   C 0.35   M 0.11   I 0.06   K 0.05   Q 0.03   

	C Shift Assignments>> 	C :: 174.607	 	CA :: 57.617	 	CB :: 30.660	 	CG :: 36.271	
	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 :: 8.427	 	HA :: 4.059	 	HB2 :: 1.957	 	HB3 :: 1.957	 	HG2 :: 2.201	 	HG3 :: 2.341	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 125.478	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	V 0.51   C 0.47   

	C Shift Assignments>> 	C :: 176.546	 	CA :: 60.579	 	CB :: 35.211	 	CG1 :: 21.376	 	CG2 :: 21.485	
	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 :: 8.195	 	HA :: 4.345	 	HB :: 1.920	 	HG11 :: 0.806	 	HG12 :: 0.806	 	HG13 :: 0.806	
			 	HG21 :: 0.896	 	HG22 :: 0.896	 	HG23 :: 0.896	
	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 :: 120.802	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.V30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.67   C 0.31   

	C Shift Assignments>> 	C :: 174.591	 	CA :: 61.701	 	CB :: 33.471	 	CG1 :: 21.930	 	CG2 :: 20.456	
	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 :: 8.793	 	HA :: 4.279	 	HB :: 1.804	 	HG11 :: 0.919	 	HG12 :: 0.919	 	HG13 :: 0.919	
			 	HG21 :: 0.491	 	HG22 :: 0.491	 	HG23 :: 0.491	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 126.763	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.666	 	CA :: 56.250	 	CB :: 64.151	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.550	 	HA :: 5.361	 	HB2 :: 3.573	 	HB3 :: 3.664	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 122.736	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.A32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.35   L 0.32   M 0.15   C 0.12   K 0.02   

	C Shift Assignments>> 	C :: 176.331	 	CA :: 52.177	 	CB :: 22.201	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.557	 	HA :: 4.460	 	HB1 :: 0.976	 	HB2 :: 0.976	 	HB3 :: 0.976	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 127.737	
	Ave N Shift Values>> 	N :: 123.23(3.7)



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

	PRTL>>	C 0.54   L 0.41   A 0.03   

	C Shift Assignments>> 	C :: 176.757	 	CA :: 55.344	 	CB :: 38.832	 	CG :: 26.961	 	CD1 :: 25.857	 	CD2 :: 23.076	
	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 :: 9.234	 	HA :: 3.871	 	HB2 :: 1.519	 	HB3 :: 1.762	 	HG :: 1.445	 	HD11 :: 0.797	
			 	HD12 :: 0.797	 	HD13 :: 0.797	 	HD21 :: 0.782	 	HD22 :: 0.782	 	HD23 :: 0.782	
	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 :: 121.029	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.G34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.78   L 0.08   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 174.024	 	CA :: 45.381	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.541	 	HA2 :: 4.037	 	HA3 :: 3.522	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 104.815	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.K35	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.44   K 0.42   R 0.08   G 0.02   

	HN Overlap>>	 1.L13 1.L13

	C Shift Assignments>> 	C :: 175.166	 	CA :: 53.690	 	CB :: 35.108	 	CG :: 24.462	 	CD :: 27.908	 	CE :: 42.306	
	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 :: 7.919	 	HA :: 4.420	 	HB2 :: 1.096	 	HB3 :: 1.707	 	HG2 :: 0.657	 	HG3 :: 0.708	
			 	HD2 :: 0.763(S)	 	HD3 :: 0.828	 	HE2 :: 2.215(S)	 	HE3 :: 2.286	
	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 :: 121.220	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



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

	PRTL>>	T 0.72   C 0.26   

	C Shift Assignments>> 	C :: 173.697	 	CA :: 58.953	 	CB :: 71.470	 	CG2 :: 21.684	
	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 :: 7.615	 	HA :: 5.078	 	HB :: 3.715	 	HG21 :: 0.969	 	HG22 :: 0.969	 	HG23 :: 0.969	
	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 :: 109.698	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.Y37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.34   Y 0.33   G 0.31   

	C Shift Assignments>> 	C :: 178.024	 	CA :: 56.874	 	CB :: 43.916	 	CD1 :: 133.496	 	CD2 :: 133.496	 	CE1 :: 118.460	
			 	CE2 :: 118.460	
	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 :: 9.232	 	HA :: 5.971	 	HB2 :: 3.406	 	HB3 :: 2.395	 	HD1 :: 6.922	 	HD2 :: 6.922	
			 	HE1 :: 6.854	 	HE2 :: 6.854	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 118.833	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.H38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.51   C 0.48   

	C Shift Assignments>> 	C :: 176.379	 	CA :: 58.173	 	CB :: 30.364	 	CD2 :: 120.184	 	CE1 :: 138.627	
	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 :: 8.922	 	HA :: 4.791	 	HB2 :: 3.690	 	HB3 :: 3.690	 	HD2 :: 7.791	 	HE1 :: 7.316	
	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 :: 119.808	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.P39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.74   C 0.25   

	C Shift Assignments>> 	C :: 179.070	 	CA :: 66.681	 	CB :: 31.796	 	CG :: 28.154	 	CD :: 50.181	
	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 :: 4.287	 	HB2 :: 2.462	 	HB3 :: 2.057	 	HG2 :: 1.896	 	HG3 :: 2.280	 	HD2 :: 4.103	
			 	HD3 :: 4.250	
	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.D40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.2   F 0.16   Y 0.15   C 0.15   L 0.13   N 0.08   K 0.06   I 0.02   

	C Shift Assignments>> 	C :: 176.751	 	CA :: 55.773	 	CB :: 40.254	
	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 :: 8.599	 	HA :: 4.502	 	HB2 :: 2.635	 	HB3 :: 2.784	
	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 :: 112.009	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.C41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.28   C 0.2   P 0.11   R 0.07   I 0.06   E 0.06   K 0.06   M 0.04   H 0.04   Q 0.02   

	C Shift Assignments>> 	C :: 175.293	 	CA :: 60.856	 	CB :: 31.869	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.784	 	HA :: 4.498	 	HB2 :: 3.376	 	HB3 :: 3.531	
	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 :: 114.986	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.F42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   F 0.49   

	C Shift Assignments>> 	C :: 172.393	 	CA :: 56.586	 	CB :: 37.209	 	CD1 :: 131.339	 	CD2 :: 131.339	 	CE1 :: 131.303	
			 	CE2 :: 131.303	 	CZ :: 129.453	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 7.414	 	HA :: 4.547	 	HB2 :: 3.182	 	HB3 :: 2.373	 	HD1 :: 6.541	 	HD2 :: 6.541	
			 	HE1 :: 6.920	 	HE2 :: 6.920	 	HZ :: 6.745	
	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 :: 124.816	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.V43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.89   A 0.05   V 0.03   I 0.01   

	C Shift Assignments>> 	C :: 173.592	 	CA :: 57.722	 	CB :: 35.623	 	CG1 :: 21.046	 	CG2 :: 17.211	
	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 :: 7.133	 	HA :: 3.741	 	HB :: 1.224	 	HG11 :: 0.462	 	HG12 :: 0.462	 	HG13 :: 0.462	
			 	HG21 :: 0.403	 	HG22 :: 0.403	 	HG23 :: 0.403	
	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 :: 114.268	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.C44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.19   R 0.13   E 0.13   V 0.12   H 0.09   K 0.08   I 0.07   M 0.07   Q 0.06   P 0.02   

	C Shift Assignments>> 	C :: 177.237	 	CA :: 59.685	 	CB :: 31.114	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.150	 	HA :: 4.072	 	HB2 :: 3.294	 	HB3 :: 2.409	
	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 :: 122.880	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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

	PRTL>>	A 0.44   M 0.41   C 0.05   L 0.04   V 0.02   

	C Shift Assignments>> 	C :: 178.030	 	CA :: 54.707	 	CB :: 20.017	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.047	 	HA :: 4.162	 	HB1 :: 1.592	 	HB2 :: 1.592	 	HB3 :: 1.592	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 131.067	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.V46	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	V 0.67   C 0.31   I 0.01   

	C Shift Assignments>> 	C :: 177.036	 	CA :: 65.230	 	CB :: 32.075	 	CG1 :: 21.709	 	CG2 :: 17.088	
	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 :: 9.195	 	HA :: 4.020	 	HB :: 2.632	 	HG11 :: 0.988	 	HG12 :: 0.988	 	HG13 :: 0.988	
			 	HG21 :: 2.052(S)	 	HG22 :: 2.052(S)	 	HG23 :: 2.052(S)	
	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 :: 120.368	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.C47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.2   V 0.13   R 0.13   E 0.13   H 0.08   K 0.07   I 0.07   M 0.06   Q 0.05   P 0.02   

	C Shift Assignments>> 	C :: 175.778	 	CA :: 59.787	 	CB :: 31.142	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.265	 	HA :: 4.566	 	HB2 :: 3.119	 	HB3 :: 2.704	
	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 :: 119.243	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.R48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.5   C 0.24   K 0.21   R 0.02   G 0.01   

	C Shift Assignments>> 	C :: 174.707	 	CA :: 56.208	 	CB :: 25.533	 	CG :: 26.182	 	CD :: 42.096	
	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 :: 7.516	 	HA :: 4.101	 	HB2 :: 2.087	 	HB3 :: 2.002	 	HG2 :: 1.563	 	HG3 :: 1.419	
			 	HD2 :: 3.106	 	HD3 :: 3.106	
	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 :: 114.486	
	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.L49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.66   C 0.19   A 0.12   R 0.01   

	C Shift Assignments>> 	C :: 175.393	 	CA :: 52.634	 	CB :: 41.528	 	CG :: 26.666	 	CD1 :: 25.436	 	CD2 :: 22.605	
	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 :: 7.713	 	HA :: 4.779	 	HB2 :: 1.300	 	HB3 :: 1.942	 	HG :: 1.675	 	HD11 :: 0.937	
			 	HD12 :: 0.937	 	HD13 :: 0.937	 	HD21 :: 0.886	 	HD22 :: 0.886	 	HD23 :: 0.886	
	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 :: 120.272	
	Ave N Shift Values>> 	N :: 121.98(4.07)



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

	PRTL>>	P 0.72   C 0.27   

	C Shift Assignments>> 	C :: 176.362	 	CA :: 62.178	 	CB :: 32.185	 	CG :: 27.466	 	CD :: 50.645	
	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 :: 4.283	 	HB2 :: 2.317	 	HB3 :: 1.775	 	HG2 :: 1.928	 	HG3 :: 1.987	 	HD2 :: 3.555	
			 	HD3 :: 3.803	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



1.F51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.55   C 0.44   

	C Shift Assignments>> 	C :: 176.375	 	CA :: 56.337	 	CB :: 38.525	 	CD1 :: 131.857	 	CD2 :: 131.857	 	CE1 :: 130.029	
			 	CE2 :: 130.029	 	CZ :: 128.386	
	Ave C Shift Values>> 	C :: 175.49(2.13) 	CA :: 58.25(2.73) 	CB :: 39.95(2.04) 	CG :: 138.35(1.12) 	CD1 :: 131.38(1.38) 	CD2 :: 131.33(1.48)
			 	CE1 :: 130.48(1.29) 	CE2 :: 130.6(0.97) 	CZ :: 129.11(1.68)

	H Shift Assignments>> 	H :: 7.791	 	HA :: 4.509	 	HB2 :: 2.888	 	HB3 :: 2.552	 	HD1 :: 6.571	 	HD2 :: 6.571	
			 	HE1 :: 6.232	 	HE2 :: 6.232	 	HZ :: 6.466	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 122.073	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.P52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.57   C 0.42   

	C Shift Assignments>> 	CA :: 61.309	 	CB :: 31.030	 	CG :: 27.861	 	CD :: 50.927	
	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 :: 4.756	 	HB2 :: 1.883	 	HB3 :: 2.387	 	HG2 :: 2.039	 	HG3 :: 2.154	 	HD2 :: 4.230	
			 	HD3 :: 3.790	
	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.P53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.86   C 0.13   

	C Shift Assignments>> 	CA :: 64.026	 	CB :: 31.603	 	CG :: 27.851	 	CD :: 50.529	
	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 :: 4.404	 	HB2 :: 1.941	 	HB3 :: 2.321	 	HG2 :: 2.039	 	HG3 :: 2.153	 	HD2 :: 3.682	
			 	HD3 :: 3.914	
	Ave H Shift Values>> 	HA :: 4.41(0.36) 	HB2 :: 2.05(0.39) 	HB3 :: 2.05(0.39) 	HG2 :: 1.93(0.36) 	HG3 :: 1.92(0.37) 	HD2 :: 3.64(0.36)
			 	HD3 :: 3.63(0.4)



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

	PRTL>>	G 0.79   L 0.08   C 0.08   R 0.02   

	C Shift Assignments>> 	C :: 174.577	 	CA :: 45.459	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	HA2 :: 4.162	 	HA3 :: 3.811	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)



1.D55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.25   D 0.18   K 0.16   R 0.13   C 0.1   F 0.06   Y 0.05   N 0.02   

	C Shift Assignments>> 	C :: 176.889	 	CA :: 54.765	 	CB :: 42.238	
	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 :: 7.617	 	HA :: 4.579	 	HB2 :: 2.548	 	HB3 :: 2.856	
	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 :: 121.639	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.R56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.45   C 0.35   K 0.08   G 0.08   L 0.01   

	HN Overlap>>	 1.I25 1.I25

	C Shift Assignments>> 	C :: 175.355	 	CA :: 56.064	 	CB :: 30.214	 	CG :: 27.245	 	CD :: 43.413	
	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 :: 8.535	 	HA :: 4.315	 	HB2 :: 1.729	 	HB3 :: 1.729	 	HG2 :: 1.526	 	HG3 :: 1.655	
			 	HD2 :: 3.176	 	HD3 :: 3.176	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 123.149	
	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.V57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.69   C 0.3   

	C Shift Assignments>> 	C :: 175.849	 	CA :: 61.793	 	CB :: 32.919	 	CG1 :: 21.332	 	CG2 :: 20.158	
	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 :: 7.972	 	HA :: 3.967	 	HB :: 1.628	 	HG11 :: 0.156	 	HG12 :: 0.156	 	HG13 :: 0.156	
			 	HG21 :: 0.247	 	HG22 :: 0.247	 	HG23 :: 0.247	
	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 :: 124.163	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.T58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.91   C 0.08   

	C Shift Assignments>> 	C :: 172.851	 	CA :: 61.468	 	CB :: 70.726	 	CG2 :: 21.438	
	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 :: 8.443	 	HA :: 4.486	 	HB :: 4.005	 	HG21 :: 1.155	 	HG22 :: 1.155	 	HG23 :: 1.155	
	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 :: 119.965	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.F59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.6   C 0.39   

	C Shift Assignments>> 	C :: 175.787	 	CA :: 56.722	 	CB :: 41.410	 	CD1 :: 132.237	 	CD2 :: 132.237	 	CE1 :: 131.678	
			 	CE2 :: 131.678	 	CZ :: 129.834	
	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 :: 8.846	 	HA :: 5.331	 	HB2 :: 2.987	 	HB3 :: 3.106	 	HD1 :: 7.313	 	HD2 :: 7.313	
			 	HE1 :: 7.308	 	HE2 :: 7.308	 	HZ :: 7.182	
	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 :: 124.431	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.N60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.49   D 0.21   C 0.14   Y 0.05   F 0.04   L 0.03   

	C Shift Assignments>> 	C :: 175.786	 	CA :: 52.067	 	CB :: 39.143	
	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 :: 8.503	 	HA :: 4.882	 	HB2 :: 2.945	 	HB3 :: 2.790	 	HD21 :: 7.315	 	HD22 :: 7.687	
	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 :: 123.430	 	ND2 :: 112.602	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.G61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	G 0.8   C 0.12   L 0.05   

	C Shift Assignments>> 	C :: 176.817	 	CA :: 46.337	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	HA2 :: 4.229	 	HA3 :: 3.468	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)



1.K62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.4   K 0.4   R 0.16   M 0.01   

	C Shift Assignments>> 	C :: 175.831	 	CA :: 57.323	 	CB :: 34.014	 	CG :: 24.796	 	CD :: 29.054	 	CE :: 42.074	
	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 :: 8.519	 	HA :: 4.540	 	HB2 :: 1.965	 	HB3 :: 1.773	 	HG2 :: 1.360	 	HG3 :: 1.425	
			 	HD2 :: 1.659	 	HD3 :: 1.659	
	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 :: 123.272	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.E63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.41   E 0.28   M 0.24   Q 0.02   I 0.01   K 0.01   

	C Shift Assignments>> 	C :: 174.870	 	CA :: 55.914	 	CB :: 32.238	 	CG :: 36.260	
	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 :: 8.305	 	HA :: 4.751	 	HB2 :: 2.056	 	HB3 :: 2.155	 	HG2 :: 2.293	 	HG3 :: 2.293	
	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 :: 119.054	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.C64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.16   H 0.16   Q 0.15   R 0.15   C 0.13   K 0.12   M 0.05   I 0.02   V 0.01   

	C Shift Assignments>> 	C :: 173.790	 	CA :: 57.102	 	CB :: 29.820	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.716	 	HA :: 5.149	 	HB2 :: 2.739	 	HB3 :: 2.468	
	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 :: 120.036	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.M65	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	C 0.42   A 0.38   M 0.18   I 0.01   

	C Shift Assignments>> 	C :: 175.250	 	CA :: 54.297	 	CB :: 37.463	 	CG :: 32.817	 	CE :: 17.262	
	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 :: 8.974	 	HA :: 5.937(S)	 	HB2 :: 1.914	 	HB3 :: 2.030	 	HG2 :: 2.465	 	HG3 :: 2.573	
			 	HE1 :: 1.978	 	HE2 :: 1.978	 	HE3 :: 1.978	
	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 :: 122.078	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.C66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.16   R 0.15   E 0.13   M 0.13   K 0.12   H 0.12   Q 0.08   V 0.04   I 0.01   

	C Shift Assignments>> 	C :: 176.216	 	CA :: 57.724	 	CB :: 31.431	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 9.814	 	HA :: 4.913	 	HB2 :: 3.666	 	HB3 :: 2.923	
	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 :: 125.485	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.Q67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.29   Q 0.19   K 0.19   E 0.18   I 0.06   R 0.02   M 0.02   

	C Shift Assignments>> 	C :: 178.575	 	CA :: 59.344	 	CB :: 28.989	 	CG :: 34.453	
	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 :: 9.392	 	HA :: 4.004	 	HB2 :: 2.165	 	HB3 :: 2.217	 	HG2 :: 2.469	 	HG3 :: 2.469	
			 	HE21 :: 6.887	 	HE22 :: 7.505	
	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 :: 120.705	 	NE2 :: 112.144	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.K68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.41   C 0.37   R 0.18   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 179.325	 	CA :: 59.573	 	CB :: 32.668	 	CG :: 25.348	 	CD :: 29.054	 	CE :: 42.156	
	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 :: 8.483	 	HA :: 4.135	 	HB2 :: 2.013	 	HB3 :: 2.013	 	HG2 :: 1.611	 	HG3 :: 1.456	
			 	HD2 :: 1.723	 	HD3 :: 1.723	 	HE2 :: 3.027	 	HE3 :: 3.027	
	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 :: 121.258	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.C69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.32   V 0.24   I 0.24   C 0.11   R 0.02   E 0.01   H 0.01   

	C Shift Assignments>> 	C :: 176.189	 	CA :: 63.036	 	CB :: 30.295	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.438	 	HA :: 4.034	 	HB2 :: 2.914	 	HB3 :: 2.775	
	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 :: 121.867	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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 :: 173.873	 	CA :: 59.413	 	CB :: 64.002	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.725	 	HA :: 4.344	 	HB2 :: 3.829	 	HB3 :: 3.925	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 113.188	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.L71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.68   C 0.23   R 0.03   A 0.02   

	C Shift Assignments>> 	C :: 175.145	 	CA :: 53.827	 	CB :: 41.803	 	CG :: 26.708	 	CD1 :: 23.599	 	CD2 :: 25.283	
	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 :: 7.580	 	HA :: 4.562	 	HB2 :: 1.564	 	HB3 :: 1.693	 	HG :: 1.812	 	HD11 :: 0.924	
			 	HD12 :: 0.924	 	HD13 :: 0.924	 	HD21 :: 0.956	 	HD22 :: 0.956	 	HD23 :: 0.956	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 124.504	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.P72	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 :: 177.121	 	CA :: 63.257	 	CB :: 31.995	 	CG :: 27.417	 	CD :: 50.572	
	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 :: 4.488	 	HB2 :: 2.294	 	HB3 :: 1.903	 	HG2 :: 2.034	 	HG3 :: 2.034	 	HD2 :: 3.629	
			 	HD3 :: 3.868	
	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.V73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.74   C 0.25   

	C Shift Assignments>> 	C :: 176.341	 	CA :: 62.416	 	CB :: 32.806	 	CG1 :: 20.642	 	CG2 :: 21.207	
	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 :: 8.159	 	HA :: 4.124	 	HB :: 2.083	 	HG11 :: 0.977	 	HG12 :: 0.977	 	HG13 :: 0.977	
			 	HG21 :: 0.955	 	HG22 :: 0.955	 	HG23 :: 0.955	
	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 :: 119.929	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.572	 	CA :: 58.124	 	CB :: 63.920	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.358	 	HA :: 4.526	 	HB2 :: 3.932	 	HB3 :: 3.856	
	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 :: 119.378	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	V 0.71   C 0.28   

	C Shift Assignments>> 	C :: 176.176	 	CA :: 62.215	 	CB :: 32.892	 	CG1 :: 20.223	 	CG2 :: 20.223	
	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 :: 8.242	 	HA :: 4.251	 	HB :: 2.148	 	HG11 :: 0.943	 	HG12 :: 0.943	 	HG13 :: 0.943	
			 	HG21 :: 0.943	 	HG22 :: 0.943	 	HG23 :: 0.943	
	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 :: 121.867	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S76	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.G77	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P78	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S79	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S80	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.G81	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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





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

Overall Results:

	      #Consistent:  77      #Clerical:   0      #Suspicious:   4      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  69      #Suspicious:   0      #Mistyped:   0      #Indeterminable:  12


Shift Relative Order (SRO) Results:

	      #Consistent:  81      #Suspicious:   0


C Shift Results:

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


H Shift Results:

	      #Consistent: 456      #Duplicate:   0      #Unknown:   0      #Suspicious:   7      #Anomalous:   0


N Shift Results:

	      #Consistent:  65      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.I25	HG12 = -0.563(S),	 Expected =  1.30, Std = 0.4000, ChiSquare = 3.2007e-06
1.K35	HD2 = 0.763(S),	 Expected =  1.61, Std = 0.2500, ChiSquare = 7.0404e-04
1.K35	HE2 = 2.215(S),	 Expected =  2.93, Std = 0.2000, ChiSquare = 3.5023e-04
1.V46	HG21 = 2.052(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 2.5112e-05
1.V46	HG22 = 2.052(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 2.5112e-05
1.V46	HG23 = 2.052(S),	 Expected =  0.83, Std = 0.2900, ChiSquare = 2.5112e-05
1.M65	HA = 5.937(S),	 Expected =  4.39, Std = 0.4600, ChiSquare = 7.7088e-04