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


1.M1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	M 0.18   C 0.16   K 0.16   R 0.12   H 0.11   W 0.09   E 0.07   Q 0.06   V 0.01   

	C Shift Assignments>> 	C :: 176.094	 	CA :: 55.590	 	CB :: 32.129	
	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>> 	HA :: 4.380	 	HB2 :: 1.907	 	HB3 :: 1.907	
	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)



1.K2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.37   R 0.18   M 0.03   G 0.01   

	HN Overlap>>	 1.D45 1.D45

	C Shift Assignments>> 	C :: 176.533	 	CA :: 56.333	 	CB :: 32.916	 	CG :: 24.705	 	CD :: 29.074	 	CE :: 42.182	
	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 :: 8.411	 	HA :: 4.188	 	HB2 :: 1.688	 	HB3 :: 1.633	 	HG2 :: 1.278	 	HG3 :: 1.278	
			 	HD2 :: 1.541	 	HD3 :: 1.541	 	HE2 :: 2.862	 	HE3 :: 2.862	
	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 :: 123.055	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.Q3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.25   K 0.25   C 0.24   M 0.09   R 0.07   E 0.06   

	HN Overlap>>	 1.E7 1.E7

	C Shift Assignments>> 	C :: 175.676	 	CA :: 55.705	 	CB :: 29.325	 	CG :: 33.231	
	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 :: 8.572	 	HA :: 4.200	 	HB2 :: 1.886	 	HB3 :: 1.886	 	HG2 :: 2.232	 	HG3 :: 2.232	
	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 :: 122.171	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.D4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.28   L 0.2   K 0.13   C 0.12   F 0.11   N 0.1   R 0.02   

	C Shift Assignments>> 	C :: 176.699	 	CA :: 54.723	 	CB :: 40.963	
	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 :: 8.441	 	HA :: 4.449	 	HB2 :: 2.548	 	HB3 :: 2.548	
	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 :: 121.504	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.G5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.79   L 0.08   C 0.07   R 0.03   

	C Shift Assignments>> 	C :: 174.240	 	CA :: 45.360	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.390	 	HA2 :: 3.842	 	HA3 :: 3.842	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 109.485	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	E 0.37   C 0.35   M 0.1   K 0.07   I 0.04   Q 0.03   

	C Shift Assignments>> 	C :: 176.598	 	CA :: 56.314	 	CB :: 30.305	 	CG :: 36.380	
	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 :: 8.207	 	HA :: 4.188	 	HB2 :: 1.951	 	HB3 :: 1.951	 	HG2 :: 1.947	 	HG3 :: 1.947	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 120.389	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	E 0.37   C 0.35   M 0.08   K 0.08   I 0.06   Q 0.04   

	HN Overlap>>	 1.Q3 1.Q3

	C Shift Assignments>> 	C :: 177.021	 	CA :: 56.869	 	CB :: 30.144	 	CG :: 36.360	
	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 :: 8.622	 	HA :: 4.176	 	HB2 :: 1.877	 	HB3 :: 1.877	 	HG2 :: 2.139	 	HG3 :: 2.139	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.143	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.G8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.77   L 0.09   C 0.08   R 0.03   

	C Shift Assignments>> 	C :: 174.240	 	CA :: 45.273	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.526	 	HA2 :: 3.906	 	HA3 :: 3.906	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 110.257	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.T9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.91   C 0.07   

	C Shift Assignments>> 	C :: 174.663	 	CA :: 61.560	 	CB :: 69.920	 	CG2 :: 21.601	
	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 :: 8.100	 	HA :: 4.192	 	HB :: 4.133	 	HG21 :: 1.153	 	HG22 :: 1.153	 	HG23 :: 1.153	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 113.245	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.E10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.35   M 0.08   K 0.08   I 0.05   Q 0.04   

	C Shift Assignments>> 	CA :: 56.605	 	CB :: 30.081	 	CG :: 36.367	
	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 :: 8.603	 	HA :: 4.267	 	HB2 :: 1.825	 	HB3 :: 1.825	 	HG2 :: 2.145	 	HG3 :: 2.145	
	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 :: 123.301	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.E11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	E 0.37   C 0.35   M 0.1   K 0.07   I 0.04   Q 0.03   

	C Shift Assignments>> 	C :: 176.130	 	CA :: 56.483	 	CB :: 30.338	 	CG :: 36.373	
	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>> 	HA :: 4.158	 	HB2 :: 1.849	 	HB3 :: 1.849	 	HG2 :: 2.137	 	HG3 :: 2.137	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)



1.D12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.3   L 0.2   K 0.12   C 0.12   N 0.11   F 0.09   R 0.03   

	C Shift Assignments>> 	C :: 176.416	 	CA :: 54.237	 	CB :: 41.061	
	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 :: 8.456	 	HA :: 4.555	 	HB2 :: 2.509	 	HB3 :: 2.509	
	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 :: 121.997	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	T 0.92   C 0.07   

	C Shift Assignments>> 	C :: 174.510	 	CA :: 61.696	 	CB :: 69.634	 	CG2 :: 21.715	
	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 :: 8.170	 	HA :: 4.136	 	HB :: 4.133	 	HG21 :: 1.153	 	HG22 :: 1.153	 	HG23 :: 1.153	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 114.262	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.E14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.35   M 0.1   K 0.07   I 0.04   Q 0.03   

	C Shift Assignments>> 	C :: 175.878	 	CA :: 56.336	 	CB :: 30.288	 	CG :: 36.382	
	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 :: 8.346	 	HA :: 4.165	 	HB2 :: 1.815	 	HB3 :: 1.815	 	HG2 :: 2.127	 	HG3 :: 2.127	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.877	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	E 0.37   C 0.35   M 0.13   K 0.05   Q 0.03   I 0.03   

	C Shift Assignments>> 	C :: 175.306	 	CA :: 56.381	 	CB :: 30.697	 	CG :: 36.336	
	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 :: 8.552	 	HA :: 4.180	 	HB2 :: 1.797	 	HB3 :: 1.797	 	HG2 :: 2.091	 	HG3 :: 2.091	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.703	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.K16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.4   C 0.38   R 0.17   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 175.131	 	CA :: 54.542	 	CB :: 35.183	 	CG :: 24.943	 	CD :: 29.289	 	CE :: 41.992	
	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 :: 8.204	 	HA :: 4.443	 	HB2 :: 1.261	 	HB3 :: 1.261	 	HG2 :: 1.059	 	HG3 :: 0.909	
			 	HD2 :: 1.335	 	HD3 :: 1.335	 	HE2 :: 2.711	 	HE3 :: 2.711	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 120.212	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.C17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.15   W 0.14   R 0.13   E 0.12   H 0.09   K 0.09   M 0.09   Q 0.06   V 0.05   I 0.02   

	C Shift Assignments>> 	C :: 177.508	 	CA :: 58.469	 	CB :: 31.254	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.386	 	HA :: 4.345	 	HB2 :: 3.434	 	HB3 :: 2.208	
	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 :: 124.607	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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

	PRTL>>	T 0.97   C 0.02   

	C Shift Assignments>> 	C :: 174.171	 	CA :: 65.333	 	CB :: 68.464	 	CG2 :: 22.003	
	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 :: 8.971	 	HA :: 3.857	 	HB :: 4.050	 	HG21 :: 1.050	 	HG22 :: 1.050	 	HG23 :: 1.050	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 122.470	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.I19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.9   C 0.09   

	C Shift Assignments>> 	C :: 176.309	 	CA :: 64.557	 	CB :: 38.495	 	CG1 :: 28.301	 	CG2 :: 16.758	 	CD1 :: 13.030	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 8.165	 	HA :: 3.746	 	HB :: 1.708	 	HG12 :: 0.273	 	HG13 :: 0.273	 	HG21 :: 0.924	
			 	HG22 :: 0.924	 	HG23 :: 0.924	 	HD11 :: 0.098	 	HD12 :: 0.098	 	HD13 :: 0.098	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 120.855	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.C20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.15   W 0.14   R 0.13   E 0.11   K 0.1   M 0.1   H 0.09   Q 0.06   V 0.05   I 0.02   

	C Shift Assignments>> 	C :: 176.159	 	CA :: 58.326	 	CB :: 31.458	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.609	 	HA :: 4.789	 	HB2 :: 3.192	 	HB3 :: 3.042	
	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 :: 115.742	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.L21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.69   L 0.29   A 0.01   

	C Shift Assignments>> 	C :: 175.838	 	CA :: 56.904	 	CB :: 38.286	 	CG :: 27.215	 	CD1 :: 25.163	 	CD2 :: 23.159	
	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 :: 8.317	 	HA :: 3.880	 	HB2 :: 2.050	 	HB3 :: 1.572	 	HG :: 1.337	 	HD11 :: 0.782	
			 	HD12 :: 0.782	 	HD13 :: 0.782	 	HD21 :: 0.705	 	HD22 :: 0.705	 	HD23 :: 0.705	
	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 :: 120.325	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.S22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.588	 	CA :: 57.973	 	CB :: 64.677	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.546	 	HA :: 3.950	 	HB2 :: 4.780	 	HB3 :: 4.780	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 116.313	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.I23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.75   C 0.24   

	C Shift Assignments>> 	C :: 175.409	 	CA :: 61.941	 	CB :: 38.827	 	CG1 :: 28.185	 	CG2 :: 17.752	 	CD1 :: 13.305	
	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 :: 8.357	 	HA :: 3.916	 	HB :: 1.713	 	HG12 :: 1.411	 	HG13 :: 1.034	 	HG21 :: 0.759	
			 	HG22 :: 0.759	 	HG23 :: 0.759	 	HD11 :: 0.710	 	HD12 :: 0.710	 	HD13 :: 0.710	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 121.751	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.L24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.58   C 0.24   K 0.13   A 0.01   

	C Shift Assignments>> 	C :: 175.645	 	CA :: 53.974	 	CB :: 41.149	 	CG :: 26.233	 	CD1 :: 23.799	
	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 :: 7.999	 	HA :: 4.148	 	HB2 :: 1.341	 	HB3 :: 0.954	 	HG :: 1.023	 	HD11 :: -0.069	
			 	HD12 :: -0.069	 	HD13 :: -0.069	 	HD21 :: -0.069	 	HD22 :: -0.069	 	HD23 :: -0.069	
	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 :: 125.753	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.E25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   E 0.31   M 0.22   Q 0.03   K 0.03   I 0.01   

	C Shift Assignments>> 	C :: 176.930	 	CA :: 54.979	 	CB :: 31.371	 	CG :: 36.201	
	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 :: 8.972	 	HA :: 4.336	 	HB2 :: 1.904	 	HB3 :: 1.627	 	HG2 :: 2.181	 	HG3 :: 2.075	
	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 :: 125.791	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	E 0.33   C 0.33   I 0.12   K 0.11   Q 0.05   M 0.03   

	C Shift Assignments>> 	C :: 177.422	 	CA :: 58.232	 	CB :: 29.236	 	CG :: 36.084	
	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 :: 8.792	 	HA :: 3.933	 	HB2 :: 1.860	 	HB3 :: 1.860	 	HG2 :: 2.148	 	HG3 :: 2.148	
	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 :: 123.744	
	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 0.72   L 0.11   C 0.08   R 0.05   

	C Shift Assignments>> 	C :: 174.917	 	CA :: 45.122	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.748	 	HA2 :: 4.140	 	HA3 :: 3.663	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 112.993	
	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 0.36   M 0.15   K 0.04   Q 0.03   I 0.03   

	C Shift Assignments>> 	C :: 176.352	 	CA :: 56.346	 	CB :: 30.955	 	CG :: 36.317	
	Ave C Shift Values>> 	C :: 176.93(2.11) 	CA :: 57.42(2.19) 	CB :: 30.07(1.84) 	CG :: 36.01(1.51) 	CD :: 181.94(1.85)

	H Shift Assignments>> 	H :: 7.720	 	HA :: 4.273	 	HB2 :: 2.224	 	HB3 :: 1.867	 	HG2 :: 2.146	 	HG3 :: 2.146	
	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 :: 119.135	
	Ave N Shift Values>> 	N :: 120.68(3.68)



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

	PRTL>>	D 0.3   N 0.17   C 0.15   L 0.14   F 0.14   K 0.05   I 0.01   

	C Shift Assignments>> 	C :: 176.609	 	CA :: 54.772	 	CB :: 40.204	
	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 :: 8.893	 	HA :: 4.717	 	HB2 :: 2.637	 	HB3 :: 2.637	
	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 :: 121.351	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	C 0.63   V 0.3   I 0.05   

	C Shift Assignments>> 	C :: 174.403	 	CA :: 60.325	 	CB :: 35.187	 	CG1 :: 22.168	 	CG2 :: 18.785	
	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 :: 8.601	 	HA :: 4.802	 	HB :: 1.895	 	HG11 :: 0.671	 	HG12 :: 0.671	 	HG13 :: 0.671	
			 	HG21 :: 0.752	 	HG22 :: 0.752	 	HG23 :: 0.752	
	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 :: 121.893	
	Ave N Shift Values>> 	N :: 121.02(4.96)



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

	PRTL>>	C 0.41   R 0.28   K 0.22   G 0.06   

	C Shift Assignments>> 	C :: 172.883	 	CA :: 54.792	 	CB :: 33.453	 	CG :: 27.151	 	CD :: 43.063	
	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 :: 9.086	 	HA :: 4.488	 	HB2 :: 1.547	 	HB3 :: 1.466	 	HG2 :: 1.287	 	HG3 :: 1.287	
			 	HD2 :: 3.084	 	HD3 :: 2.993	
	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 :: 123.083	
	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.R32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.41   C 0.33   G 0.12   K 0.12   

	C Shift Assignments>> 	C :: 176.887	 	CA :: 54.287	 	CB :: 31.558	 	CG :: 27.932	 	CD :: 43.621	
	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 :: 8.878	 	HA :: 4.908	 	HB2 :: 1.666	 	HB3 :: 1.480	 	HG2 :: 1.214	 	HG3 :: 1.214	
			 	HD2 :: 3.077	 	HD3 :: 2.978	
	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 :: 127.947	
	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.L33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.48   C 0.28   A 0.17   R 0.05   

	C Shift Assignments>> 	CA :: 54.030	 	CB :: 41.107	 	CG :: 27.612	 	CD1 :: 25.806	 	CD2 :: 21.955	
	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 :: 8.812	 	HA :: 4.637	 	HB2 :: 2.420	 	HB3 :: 1.889	 	HG :: 1.961	 	HD11 :: 1.022	
			 	HD12 :: 1.022	 	HD13 :: 1.022	 	HD21 :: 0.817	 	HD22 :: 0.817	 	HD23 :: 0.817	
	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 :: 127.038	
	Ave N Shift Values>> 	N :: 121.98(4.07)



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

	PRTL>>	P 0.71   C 0.28   

	C Shift Assignments>> 	C :: 176.223	 	CA :: 65.824	 	CB :: 31.563	 	CG :: 28.281	 	CD :: 51.077	
	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 :: 4.210	 	HB2 :: 2.324	 	HB3 :: 1.877	 	HG2 :: 2.211	 	HG3 :: 1.978	 	HD2 :: 3.847	
			 	HD3 :: 3.847	
	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.C35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.14   C 0.14   R 0.14   E 0.13   H 0.11   M 0.09   K 0.09   Q 0.07   V 0.03   I 0.02   

	C Shift Assignments>> 	C :: 174.853	 	CA :: 57.968	 	CB :: 31.080	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.458	 	HA :: 4.249	 	HB2 :: 3.023	 	HB3 :: 2.503	
	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 :: 113.052	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.M36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.26   C 0.26   Q 0.19   R 0.17   M 0.06   E 0.02   

	C Shift Assignments>> 	C :: 176.137	 	CA :: 57.130	 	CB :: 28.407	 	CG :: 32.560	
	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 :: 8.271	 	HA :: 3.854	 	HB2 :: 2.432	 	HB3 :: 1.921	 	HG2 :: 2.501	 	HG3 :: 2.501	
	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 :: 111.994	
	Ave N Shift Values>> 	N :: 120.1(3.88)



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

	PRTL>>	W 0.39   C 0.35   H 0.24   

	C Shift Assignments>> 	C :: 172.411	 	CA :: 60.790	 	CB :: 31.225	 	CD2 :: 118.858	 	CE1 :: 138.000	
	Ave C Shift Values>> 	C :: 175.19(2.14) 	CA :: 56.37(2.4) 	CB :: 29.95(2.15) 	CG :: 130.59(3.41) 	CD2 :: 119.84(3.3) 	CE1 :: 136.05(3.58)

	H Shift Assignments>> 	H :: 7.961	 	HA :: 4.382	 	HB2 :: 3.209	 	HB3 :: 2.780	 	HD2 :: 7.286	 	HE1 :: 7.800	
	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 :: 123.027	 	ND1 :: 219.170	 	NE2 :: 169.984	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



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

	PRTL>>	G 0.38   L 0.31   C 0.28   A 0.01   

	C Shift Assignments>> 	C :: 173.825	 	CA :: 54.175	 	CB :: 46.461	 	CG :: 26.138	 	CD1 :: 24.385	 	CD2 :: 24.094	
	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 :: 8.192	 	HA :: 4.723	 	HB2 :: 1.285	 	HB3 :: 1.033	 	HG :: 1.145	 	HD11 :: 0.566	
			 	HD12 :: 0.566	 	HD13 :: 0.566	 	HD21 :: 0.566	 	HD22 :: 0.566	 	HD23 :: 0.566	
	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 :: 124.607	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.F39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.72   C 0.18   F 0.08   

	C Shift Assignments>> 	C :: 176.116	 	CA :: 55.715	 	CB :: 45.719	 	CD1 :: 131.123	 	CD2 :: 131.061	 	CE1 :: 129.444	
			 	CE2 :: 129.444	
	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 :: 8.033	 	HA :: 4.815	 	HB2 :: 2.264	 	HB3 :: 3.399	 	HD1 :: 7.256	 	HD2 :: 7.256	
			 	HE1 :: 7.116	 	HE2 :: 7.116	 	HZ :: 7.175	
	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 :: 117.417	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.H40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.35   W 0.34   H 0.29   

	HN Overlap>>	 1.C57 1.C57

	C Shift Assignments>> 	C :: 176.716	 	CA :: 60.196	 	CB :: 30.920	 	CD2 :: 118.500	 	CE1 :: 138.000	
	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 :: 8.434	 	HA :: 4.582	 	HB2 :: 3.959	 	HB3 :: 3.635	 	HD2 :: 6.959	 	HE1 :: 7.311	
			 	HE2 :: 12.508	
	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 :: 118.657	 	ND1 :: 224.513	 	NE2 :: 173.256	
	Ave N Shift Values>> 	N :: 119.44(4.52) 	ND1 :: 190.74(22.84) 	NE2 :: 179.81(13.86)



1.Q41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.31   K 0.23   Q 0.18   R 0.1   E 0.05   P 0.04   I 0.03   M 0.02   

	C Shift Assignments>> 	C :: 177.508	 	CA :: 59.944	 	CB :: 28.317	 	CG :: 33.260	
	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 :: 9.036	 	HA :: 3.673	 	HB2 :: 1.916	 	HB3 :: 1.697	 	HG2 :: 2.125	 	HG3 :: 2.125	
			 	HE21 :: 7.848	 	HE22 :: 6.779	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 125.632	 	NE2 :: 113.235	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.V42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.93   C 0.06   

	C Shift Assignments>> 	C :: 178.343	 	CA :: 65.440	 	CB :: 31.642	 	CG1 :: 21.586	 	CG2 :: 21.586	
	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 :: 8.792	 	HA :: 3.888	 	HB :: 1.962	 	HG11 :: 0.916	 	HG12 :: 0.916	 	HG13 :: 0.916	
			 	HG21 :: 0.916	 	HG22 :: 0.916	 	HG23 :: 0.916	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 115.341	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.C43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.46   P 0.17   C 0.11   V 0.1   W 0.06   E 0.01   R 0.01   K 0.01   H 0.01   

	C Shift Assignments>> 	C :: 177.615	 	CA :: 63.188	 	CB :: 29.052	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 6.523	 	HA :: 3.985	 	HB2 :: 2.951	 	HB3 :: 2.882	
	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 :: 118.199	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.V44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.83   C 0.16   

	C Shift Assignments>> 	C :: 174.553	 	CA :: 64.808	 	CB :: 31.675	 	CG1 :: 23.890	 	CG2 :: 21.023	
	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 :: 8.106	 	HA :: 3.684	 	HB :: 1.724	 	HG11 :: 0.590	 	HG12 :: 0.590	 	HG13 :: 0.590	
			 	HG21 :: 0.889	 	HG22 :: 0.889	 	HG23 :: 0.889	
	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 :: 119.654	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.D45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.37   C 0.26   I 0.14   D 0.07   L 0.07   K 0.03   E 0.01   N 0.01   

	HN Overlap>>	 1.K2 1.K2

	C Shift Assignments>> 	C :: 179.178	 	CA :: 58.116	 	CB :: 39.682	
	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 :: 8.451	 	HA :: 4.303	 	HB2 :: 2.735	 	HB3 :: 2.457	
	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 :: 122.951	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.Q46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.27   Q 0.24   K 0.23   E 0.12   R 0.06   I 0.02   M 0.02   

	C Shift Assignments>> 	C :: 178.857	 	CA :: 58.227	 	CB :: 28.329	 	CG :: 34.014	
	Ave C Shift Values>> 	C :: 176.39(1.96) 	CA :: 56.62(2.19) 	CB :: 29.1(1.97) 	CG :: 33.72(1.1) 	CD :: 179.68(1.17)

	H Shift Assignments>> 	H :: 7.591	 	HA :: 4.028	 	HB2 :: 2.113	 	HB3 :: 2.113	 	HG2 :: 2.412	 	HG3 :: 2.332	
			 	HE21 :: 7.457	 	HE22 :: 6.879	
	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 :: 117.019	 	NE2 :: 111.872	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.W47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.56   W 0.42   

	C Shift Assignments>> 	C :: 178.000	 	CA :: 60.634	 	CB :: 29.707	 	CD1 :: 125.507	 	CE3 :: 120.822	 	CZ2 :: 114.333	
			 	CZ3 :: 125.000	
	Ave C Shift Values>> 	C :: 176.1(1.89) 	CA :: 57.71(2.65) 	CB :: 30.16(2.19) 	CG :: 110.37(1.55) 	CD1 :: 126.16(1.76) 	CD2 :: 127.4(1.33)
			 	CE2 :: 137.38(2.86) 	CE3 :: 120.38(1.5) 	CZ2 :: 114.19(1.09) 	CZ3 :: 121.57(1.76) 	CH2 :: 123.75(1.34)

	H Shift Assignments>> 	H :: 8.234	 	HA :: 4.106	 	HB2 :: 3.383	 	HB3 :: 3.269	 	HD1 :: 6.748	 	HE1 :: 10.151	
			 	HE3 :: 7.620	 	HZ2 :: 7.284	 	HZ3 :: 7.180	 	HH2 :: 6.814	
	Ave H Shift Values>> 	H :: 8.35(0.84) 	HA :: 4.74(0.55) 	HB2 :: 3.22(0.36) 	HB3 :: 3.18(0.36) 	HD1 :: 7.16(0.34) 	HE1 :: 10.13(0.53)
			 	HE3 :: 7.17(1.03) 	HZ2 :: 7.14(0.89) 	HZ3 :: 6.68(1.02) 	HH2 :: 6.82(0.94)

	N Shift Assignments>> 	N :: 123.935	 	NE1 :: 129.525	
	Ave N Shift Values>> 	N :: 121.87(4.58) 	NE1 :: 129.48(2.56)



1.L48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.49   C 0.28   R 0.17   G 0.02   A 0.01   

	C Shift Assignments>> 	C :: 177.958	 	CA :: 55.970	 	CB :: 42.483	 	CG :: 27.408	 	CD1 :: 26.020	 	CD2 :: 23.337	
	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 :: 8.467	 	HA :: 4.486	 	HB2 :: 1.830	 	HB3 :: 1.451	 	HG :: 1.910	 	HD11 :: 0.814	
			 	HD12 :: 0.814	 	HD13 :: 0.814	 	HD21 :: 0.871	 	HD22 :: 0.871	 	HD23 :: 0.871	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 116.510	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.I49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.91   C 0.08   

	C Shift Assignments>> 	C :: 177.936	 	CA :: 64.817	 	CB :: 37.442	 	CG1 :: 28.369	 	CG2 :: 17.152	 	CD1 :: 12.776	
	Ave C Shift Values>> 	C :: 175.82(1.95) 	CA :: 61.59(2.78) 	CB :: 38.58(2.09) 	CG1 :: 27.65(2.32) 	CG2 :: 17.36(1.6) 	CD1 :: 13.41(1.91)

	H Shift Assignments>> 	H :: 7.425	 	HA :: 3.592	 	HB :: 1.812	 	HG12 :: 1.080	 	HG13 :: 1.080	 	HG21 :: 0.800	
			 	HG22 :: 0.800	 	HG23 :: 0.800	 	HD11 :: 0.798	 	HD12 :: 0.798	 	HD13 :: 0.798	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 119.065	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.T50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.91   C 0.07   

	C Shift Assignments>> 	C :: 174.103	 	CA :: 61.568	 	CB :: 70.041	 	CG2 :: 21.604	
	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 :: 7.052	 	HA :: 4.280	 	HB :: 3.951	 	HG21 :: 1.052	 	HG22 :: 1.052	 	HG23 :: 1.052	
	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 :: 105.373	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.N51	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	D 0.34   N 0.18   L 0.17   C 0.11   K 0.08   F 0.06   R 0.01   

	C Shift Assignments>> 	C :: 173.611	 	CA :: 53.251	 	CB :: 40.949	
	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 :: 7.837	 	HA :: 4.465	 	HB2 :: 1.715	 	HB3 :: 1.219(S)	
	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 :: 121.149	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.K52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.39   C 0.32   R 0.24   M 0.02   G 0.01   

	C Shift Assignments>> 	C :: 175.602	 	CA :: 55.411	 	CB :: 32.367	 	CG :: 24.915	 	CD :: 28.815	 	CE :: 42.280	
	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 :: 8.433	 	HA :: 4.338	 	HB2 :: 1.956	 	HB3 :: 1.613	 	HG2 :: 1.262	 	HG3 :: 1.262	
			 	HD2 :: 1.462	 	HD3 :: 1.462	 	HE2 :: 2.793	 	HE3 :: 2.793	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 117.527	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.K53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.44   R 0.27   K 0.24   G 0.02   M 0.01   

	C Shift Assignments>> 	C :: 175.174	 	CA :: 54.240	 	CB :: 36.590	 	CG :: 25.067	 	CD :: 29.249	 	CE :: 42.323	
	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 :: 7.654	 	HA :: 4.899	 	HB2 :: 1.500	 	HB3 :: 1.314	 	HG2 :: 1.203	 	HG3 :: 1.203	
			 	HD2 :: 1.535	 	HD3 :: 1.535	 	HE2 :: 2.954	 	HE3 :: 2.954	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 117.587	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.C54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.14   R 0.13   M 0.13   W 0.12   K 0.12   H 0.11   E 0.11   Q 0.07   V 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 57.009	 	CB :: 31.495	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.510	 	HA :: 4.022	 	HB2 :: 3.024	 	HB3 :: 3.024	
	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 :: 123.474	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.P55	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Indeterminable

	PRTL>>	P 0.84   C 0.15   

	C Shift Assignments>> 	C :: 176.994	 	CA :: 64.502	 	CB :: 31.719	 	CG :: 25.500	 	CD :: 50.440	
	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 :: 3.943	 	HB2 :: 1.184	 	HB3 :: 0.884	 	HG2 :: -0.320(S)	 	HG3 :: -0.320(S)	 	HD2 :: 3.445	
			 	HD3 :: 2.773	
	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.I56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.86   C 0.13   

	C Shift Assignments>> 	C :: 177.068	 	CA :: 63.524	 	CB :: 39.443	 	CG1 :: 28.369	 	CG2 :: 16.304	 	CD1 :: 13.272	
	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 :: 9.330	 	HA :: 3.746	 	HB :: 0.902	 	HG12 :: 0.773	 	HG13 :: 0.773	 	HG21 :: 0.292	
			 	HG22 :: 0.292	 	HG23 :: 0.292	 	HD11 :: 0.483	 	HD12 :: 0.483	 	HD13 :: 0.483	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 120.142	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.C57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.16   W 0.14   R 0.12   E 0.11   K 0.09   M 0.08   V 0.08   H 0.08   Q 0.05   I 0.03   

	HN Overlap>>	 1.H40 1.H40

	C Shift Assignments>> 	C :: 176.009	 	CA :: 58.968	 	CB :: 31.510	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.398	 	HA :: 4.784	 	HB2 :: 3.272	 	HB3 :: 2.729	
	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 :: 118.627	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.R58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.33   C 0.31   K 0.18   R 0.11   G 0.05   

	C Shift Assignments>> 	C :: 174.317	 	CA :: 57.962	 	CB :: 26.532	 	CG :: 27.339	 	CD :: 43.026	
	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 :: 7.916	 	HA :: 3.976	 	HB2 :: 1.966	 	HB3 :: 1.966	 	HG2 :: 1.412	 	HG3 :: 1.412	
			 	HD2 :: 3.079	 	HD3 :: 3.079	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 115.579	
	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.V59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.77   C 0.22   

	C Shift Assignments>> 	C :: 176.587	 	CA :: 62.960	 	CB :: 32.348	 	CG1 :: 22.957	 	CG2 :: 21.273	
	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 :: 7.682	 	HA :: 4.047	 	HB :: 1.997	 	HG11 :: 0.974	 	HG12 :: 0.974	 	HG13 :: 0.974	
			 	HG21 :: 0.938	 	HG22 :: 0.938	 	HG23 :: 0.938	
	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 :: 119.683	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.D60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.21   K 0.2   D 0.19   F 0.13   C 0.13   R 0.06   N 0.03   I 0.01   

	C Shift Assignments>> 	C :: 176.437	 	CA :: 55.879	 	CB :: 41.332	
	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 :: 8.540	 	HA :: 4.491	 	HB2 :: 2.574	 	HB3 :: 2.394	
	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 :: 126.513	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.I61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.77   C 0.22   

	C Shift Assignments>> 	C :: 176.000	 	CA :: 62.294	 	CB :: 38.483	 	CG1 :: 28.159	 	CG2 :: 17.875	 	CD1 :: 13.886	
	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 :: 8.325	 	HA :: 3.968	 	HB :: 1.659	 	HG12 :: 1.412	 	HG13 :: 1.412	 	HG21 :: 0.843	
			 	HG22 :: 0.843	 	HG23 :: 0.843	 	HD11 :: 0.701	 	HD12 :: 0.701	 	HD13 :: 0.701	
	Ave H Shift Values>> 	H :: 8.26(0.71) 	HA :: 4.2(0.56) 	HB :: 1.8(0.31) 	HG2 :: 0.8(0.29) 	HG12 :: 1.3(0.4) 	HG13 :: 1.24(0.4)
			 	HD1 :: 0.7(0.3)

	N Shift Assignments>> 	N :: 122.387	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.E62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.35   M 0.1   K 0.07   I 0.04   Q 0.03   

	C Shift Assignments>> 	C :: 175.838	 	CA :: 56.441	 	CB :: 30.285	 	CG :: 36.379	
	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 :: 8.466	 	HA :: 4.265	 	HB2 :: 1.838	 	HB3 :: 1.838	 	HG2 :: 2.139	 	HG3 :: 2.139	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.256	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.A63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.76   M 0.19   C 0.02   

	C Shift Assignments>> 	C :: 177.422	 	CA :: 52.485	 	CB :: 19.247	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.245	 	HA :: 4.149	 	HB1 :: 1.258	 	HB2 :: 1.258	 	HB3 :: 1.258	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 124.987	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.Q64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.27   C 0.24   K 0.23   E 0.11   M 0.09   R 0.04   

	C Shift Assignments>> 	C :: 175.709	 	CA :: 55.293	 	CB :: 29.509	 	CG :: 33.846	
	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 :: 8.398	 	HA :: 4.199	 	HB2 :: 1.872	 	HB3 :: 1.872	 	HG2 :: 2.232	 	HG3 :: 2.232	
			 	HE21 :: 7.574	 	HE22 :: 6.881	
	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 :: 119.772	 	NE2 :: 112.911	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.L65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.7   C 0.21   A 0.04   R 0.02   

	C Shift Assignments>> 	CA :: 53.044	 	CB :: 41.416	 	CG :: 27.145	 	CD1 :: 25.135	 	CD2 :: 23.337	
	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 :: 8.407	 	HA :: 4.586	 	HB2 :: 1.468	 	HB3 :: 1.468	 	HG :: 1.568	 	HD11 :: 0.817	
			 	HD12 :: 0.817	 	HD13 :: 0.817	 	HD21 :: 0.790	 	HD22 :: 0.790	 	HD23 :: 0.790	
	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 :: 125.450	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.P66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.8   C 0.19   

	C Shift Assignments>> 	C :: 176.919	 	CA :: 63.124	 	CB :: 31.963	 	CG :: 27.412	 	CD :: 50.665	
	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 :: 4.335	 	HB2 :: 2.201	 	HB3 :: 1.827	 	HG2 :: 1.921	 	HG3 :: 1.921	 	HD2 :: 3.731	
			 	HD3 :: 3.538	
	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.S67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.553	 	CA :: 58.328	 	CB :: 63.831	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.394	 	HA :: 3.746	 	HB2 :: 4.396	 	HB3 :: 4.396	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 116.049	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.E68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.17   K 0.17   M 0.17   C 0.15   P 0.1   Q 0.06   R 0.04   W 0.04   H 0.03   E 0.02   

	C Shift Assignments>> 	CB :: 32.725	
	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 :: 8.589	
	Ave H Shift Values>> 	H :: 8.34(0.61) 	HA :: 4.26(0.43) 	HB2 :: 2.04(0.22) 	HB3 :: 2.04(0.23) 	HG2 :: 2.31(0.21) 	HG3 :: 2.31(0.21)

	N Shift Assignments>> 	N :: 122.359	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.S69	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:  67      #Clerical:   0      #Suspicious:   2      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  68      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   1


Shift Relative Order (SRO) Results:

	      #Consistent:  69      #Suspicious:   0


C Shift Results:

	      #Consistent: 290      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 464      #Duplicate:   0      #Unknown:   0      #Suspicious:   3      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.N51	HB3 = 1.219(S),	 Expected =  2.78, Std = 0.3400, ChiSquare = 4.4075e-06
1.P55	HG2 = -0.320(S),	 Expected =  1.93, Std = 0.3600, ChiSquare = 4.1045e-10
1.P55	HG3 = -0.320(S),	 Expected =  1.92, Std = 0.3700, ChiSquare = 1.4125e-09