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


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




1.A2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.8   M 0.12   C 0.03   L 0.02   

	C Shift Assignments>> 	C :: 175.748	 	CA :: 51.413	 	CB :: 20.248	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.937	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 128.097	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.N3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.51   C 0.24   Y 0.05   D 0.05   E 0.04   F 0.03   M 0.03   

	C Shift Assignments>> 	C :: 175.014	 	CA :: 52.396	 	CB :: 37.236	
	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 :: 10.406	 	HD21 :: 7.812	 	HD22 :: 7.046	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 124.945	 	ND2 :: 111.282	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



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

	PRTL>>	T 0.63   C 0.24   S 0.11   

	C Shift Assignments>> 	C :: 173.921	 	CA :: 59.817	 	CB :: 67.235	 	CG2 :: 22.001	
	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 :: 7.928	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 112.254	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.A5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.69   M 0.27   C 0.02   

	C Shift Assignments>> 	C :: 177.173	 	CA :: 53.032	 	CB :: 18.357	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.094	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 124.573	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.F6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.28   Y 0.22   I 0.2   C 0.17   K 0.05   L 0.02   D 0.01   

	HN Overlap>>	 1.L79 1.L79

	C Shift Assignments>> 	C :: 175.196	 	CA :: 60.093	 	CB :: 40.514	
	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 :: 8.604	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 120.902	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.V7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.84   C 0.13   I 0.01   

	C Shift Assignments>> 	C :: 174.878	 	CA :: 64.216	 	CB :: 33.224	 	CG1 :: 20.433	
	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 :: 7.953	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 127.025	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.S8	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 :: 171.722	 	CA :: 58.315	 	CB :: 64.990	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.593	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 110.513	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.S9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.82   S 0.17   

	C Shift Assignments>> 	C :: 172.997	 	CA :: 56.926	 	CB :: 68.006	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.752	
	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 :: 112.150	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.A10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.64   M 0.17   L 0.09   C 0.06   

	HN Overlap>>	 1.K15 1.K15

	C Shift Assignments>> 	C :: 176.469	 	CA :: 52.189	 	CB :: 21.045	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.739	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.882	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.C11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.58   C 0.17   D 0.13   Y 0.03   F 0.03   L 0.01   

	C Shift Assignments>> 	C :: 174.089	 	CA :: 51.270	 	CB :: 38.508	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 9.055	
	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 :: 122.449	
	Ave N Shift Values>> 	N :: 119.95(4.79)



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

	PRTL>>	D 0.21   N 0.2   C 0.16   Y 0.14   F 0.13   L 0.08   I 0.01   E 0.01   K 0.01   

	C Shift Assignments>> 	C :: 175.142	 	CA :: 54.898	 	CB :: 39.415	
	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 :: 8.357	 	HD21 :: 8.339	 	HD22 :: 7.043	
	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 :: 125.730	 	ND2 :: 114.893	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



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

	PRTL>>	T 0.95   C 0.04   

	C Shift Assignments>> 	C :: 175.527	 	CA :: 63.954	 	CB :: 69.541	 	CG2 :: 22.623	
	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 :: 8.511	
	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 :: 118.200	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.Q14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.26   C 0.25   K 0.23   E 0.14   M 0.04   R 0.04   

	C Shift Assignments>> 	C :: 175.352	 	CA :: 56.119	 	CB :: 28.971	 	CG :: 34.224	
	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 :: 9.279	 	HE21 :: 7.665	 	HE22 :: 6.923	
	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 :: 122.935	 	NE2 :: 112.677	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.K15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.45   K 0.3   R 0.13   G 0.1   

	HN Overlap>>	 1.A10 1.A10

	C Shift Assignments>> 	C :: 177.168	 	CA :: 54.288	 	CB :: 33.755	 	CG :: 25.113	 	CE :: 43.249	
	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 :: 8.736	
	Ave H Shift Values>> 	H :: 8.22(0.64) 	HA :: 4.28(0.45) 	HB2 :: 1.79(0.25) 	HB3 :: 1.78(0.26) 	HG2 :: 1.38(0.27) 	HG3 :: 1.37(0.29)
			 	HD2 :: 1.61(0.25) 	HD3 :: 1.61(0.25) 	HE2 :: 2.93(0.2) 	HE3 :: 2.93(0.2) 	HZ :: 7.52(0.36)

	N Shift Assignments>> 	N :: 122.886	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.I16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.28   I 0.23   Y 0.23   C 0.17   K 0.03   L 0.02   

	C Shift Assignments>> 	CA :: 60.156	 	CB :: 40.203	
	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 :: 9.186	
	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 :: 124.776	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.P17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable

	PRTL>>	P 0.75   C 0.24   

	C Shift Assignments>> 	C :: 178.006	 	CA :: 62.964	 	CB :: 32.368	 	CG :: 27.971	 	CD :: 51.287	
	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)



1.S18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 176.316	 	CA :: 60.664	 	CB :: 62.260	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.924	
	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 :: 120.003	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.65   L 0.13   C 0.09   R 0.07   F 0.01   

	C Shift Assignments>> 	C :: 174.757	 	CA :: 44.948	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.861	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 111.468	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 56.313	 	CB :: 64.667	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.534	
	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 :: 113.917	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	P 0.59   C 0.39   S 0.01   

	C Shift Assignments>> 	C :: 177.921	 	CA :: 64.506	 	CB :: 32.069	 	CG :: 27.512	 	CD :: 52.125	
	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)



1.F22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.28   Y 0.25   C 0.18   I 0.12   L 0.05   D 0.03   K 0.03   

	C Shift Assignments>> 	C :: 175.354	 	CA :: 58.591	 	CB :: 39.963	
	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 :: 8.607	
	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 :: 119.514	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.N23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.26   F 0.26   C 0.19   I 0.09   D 0.06   L 0.05   K 0.02   N 0.01   E 0.01   

	C Shift Assignments>> 	C :: 177.185	 	CA :: 57.828	 	CB :: 39.590	
	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 :: 7.432	 	HD21 :: 7.697	 	HD22 :: 6.981	
	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 :: 111.303	 	ND2 :: 115.494	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.R24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.46   C 0.37   G 0.08   K 0.07   

	C Shift Assignments>> 	C :: 178.817	 	CA :: 59.594	 	CB :: 30.205	 	CG :: 27.430	 	CD :: 43.346	
	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 :: 7.554	
	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 :: 116.452	
	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.N25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.28   C 0.28   Y 0.12   M 0.09   F 0.05   K 0.05   I 0.03   N 0.02   Q 0.01   

	C Shift Assignments>> 	C :: 177.338	 	CA :: 56.783	 	CB :: 36.329	
	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 :: 8.354	 	HD21 :: 7.416	 	HD22 :: 6.850	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 115.842	 	ND2 :: 113.653	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.L26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.66   L 0.22   K 0.06   I 0.03   

	HN Overlap>>	 1.M29 1.M29

	C Shift Assignments>> 	C :: 178.089	 	CA :: 58.662	 	CB :: 40.528	 	CD1 :: 26.942	 	CD2 :: 21.994	
	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 :: 8.045	
	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 :: 121.174	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.R27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.54   R 0.2   K 0.19   G 0.06   

	C Shift Assignments>> 	C :: 178.861	 	CA :: 60.840	 	CB :: 29.291	 	CG :: 30.038	 	CD :: 42.637	
	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 :: 7.107	
	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 :: 116.256	
	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.A28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.54   A 0.38   I 0.03   C 0.02   

	C Shift Assignments>> 	C :: 179.455	 	CA :: 54.969	 	CB :: 18.036	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.620	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 122.427	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.M29	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.38   K 0.23   Q 0.12   M 0.1   R 0.09   E 0.03   P 0.01   

	HN Overlap>>	 1.L26 1.L26

	C Shift Assignments>> 	C :: 178.297	 	CA :: 60.049	 	CB :: 29.879	 	CG :: 32.316	
	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 :: 8.006	
	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 :: 121.115	
	Ave N Shift Values>> 	N :: 120.1(3.88)



1.L30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.45   K 0.38   L 0.14   R 0.01   

	C Shift Assignments>> 	C :: 178.460	 	CA :: 58.532	 	CB :: 41.273	 	CD1 :: 23.265	 	CD2 :: 27.363	
	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 :: 8.495	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 119.287	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.A31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.58   A 0.32   I 0.04   C 0.02   

	C Shift Assignments>> 	C :: 179.448	 	CA :: 55.265	 	CB :: 17.863	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.767	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 120.322	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.D32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.2   K 0.17   Y 0.16   C 0.14   L 0.13   D 0.08   I 0.04   R 0.04   N 0.01   

	C Shift Assignments>> 	C :: 178.674	 	CA :: 57.462	 	CB :: 41.031	
	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 :: 7.392	
	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 :: 120.344	
	Ave N Shift Values>> 	N :: 120.73(4.2)



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

	PRTL>>	C 0.39   K 0.38   L 0.2   R 0.01   

	HN Overlap>>	 1.T73 1.T73

	C Shift Assignments>> 	C :: 180.891	 	CA :: 58.822	 	CB :: 41.380	 	CD1 :: 27.449	 	CD2 :: 23.493	
	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 :: 8.250	
	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 :: 116.775	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.R34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   R 0.3   K 0.26   P 0.02   L 0.01   

	C Shift Assignments>> 	C :: 176.331	 	CA :: 59.574	 	CB :: 29.716	 	CG :: 25.928	
	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 :: 8.436	
	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 :: 119.010	
	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.Q35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.26   Q 0.23   K 0.19   E 0.14   M 0.1   R 0.02   I 0.01   

	C Shift Assignments>> 	C :: 178.077	 	CA :: 58.234	 	CB :: 29.971	 	CG :: 33.866	
	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 :: 7.934	 	HE21 :: 7.389	 	HE22 :: 6.835	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 115.372	 	NE2 :: 111.505	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



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

	PRTL>>	D 0.24   C 0.14   F 0.13   L 0.13   Y 0.13   N 0.12   K 0.05   I 0.01   

	C Shift Assignments>> 	C :: 178.293	 	CA :: 55.157	 	CB :: 40.227	
	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 :: 7.909	 	HD21 :: 7.574	 	HD22 :: 7.079	
	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 :: 110.584	 	ND2 :: 116.210	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.T37	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.87   C 0.12   

	C Shift Assignments>> 	C :: 176.892	 	CA :: 69.873(A)	 	CB :: 67.239	 	CG2 :: 21.194	
	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 :: 7.482	
	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 :: 122.536	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.A38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.62   M 0.32   C 0.02   

	C Shift Assignments>> 	C :: 177.189	 	CA :: 53.666	 	CB :: 18.879	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.149	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 121.433	
	Ave N Shift Values>> 	N :: 123.23(3.7)



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

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

	C Shift Assignments>> 	C :: 175.687	 	CA :: 57.472	 	CB :: 39.726	
	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 :: 7.054	
	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 :: 114.479	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.S40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.440	 	CA :: 56.486	 	CB :: 63.766	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.529	
	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 :: 116.975	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.11   L 0.06   

	C Shift Assignments>> 	C :: 174.137	 	CA :: 46.171	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.714	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.266	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.Y42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.22   V 0.18   K 0.12   R 0.1   M 0.09   E 0.09   H 0.06   Q 0.03   I 0.03   P 0.02   

	C Shift Assignments>> 	C :: 173.321	 	CA :: 59.687	 	CB :: 32.145	
	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 :: 7.913	
	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 :: 110.778	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.D43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.24   L 0.14   C 0.13   F 0.13   Y 0.12   N 0.11   K 0.06   I 0.01   

	C Shift Assignments>> 	C :: 174.493	 	CA :: 55.102	 	CB :: 40.311	
	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 :: 6.941	
	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 :: 116.809	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.Y44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.31   L 0.24   C 0.12   K 0.07   G 0.06   F 0.06   D 0.04   Y 0.04   

	C Shift Assignments>> 	C :: 171.897	 	CA :: 56.786	 	CB :: 43.491	
	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 :: 9.294	
	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 :: 127.861	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.K45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.4   K 0.37   R 0.13   M 0.05   G 0.01   

	C Shift Assignments>> 	C :: 174.049	 	CA :: 54.019	 	CB :: 35.084	 	CG :: 24.230	 	CD :: 29.886	 	CE :: 42.076	
	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 :: 7.603	
	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 :: 125.009	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.T46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.84   C 0.13   S 0.02   

	C Shift Assignments>> 	C :: 171.310	 	CA :: 60.347	 	CB :: 68.350	 	CG2 :: 19.649	
	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 :: 8.064	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 112.026	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.S47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.55   T 0.44   

	C Shift Assignments>> 	C :: 174.349	 	CA :: 56.745	 	CB :: 67.233	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.220	
	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 :: 113.691	
	Ave N Shift Values>> 	N :: 116.3(3.95)



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

	PRTL>>	C 0.54   K 0.3   R 0.11   G 0.02   

	C Shift Assignments>> 	C :: 175.391	 	CA :: 54.628	 	CB :: 34.686	 	CG :: 26.668	 	CD :: 42.356	
	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 :: 8.621	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.633	
	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.A49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.77   M 0.18   C 0.02   L 0.01   

	C Shift Assignments>> 	C :: 177.000	 	CA :: 52.298	 	CB :: 19.513	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.032	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 132.195	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.G50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.37   L 0.23   R 0.21   C 0.1   F 0.02   D 0.02   Y 0.01   

	C Shift Assignments>> 	C :: 173.228	 	CA :: 44.311	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.451	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 108.957	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.S51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.529	 	CA :: 57.296	 	CB :: 64.887	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.290	
	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 :: 115.680	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.G52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.71   C 0.21   L 0.03   A 0.01   P 0.01   

	C Shift Assignments>> 	C :: 175.377	 	CA :: 47.231	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.898	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 109.341	
	Ave N Shift Values>> 	N :: 109.91(4.29)



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

	PRTL>>	G 0.54   L 0.17   R 0.12   C 0.1   F 0.01   D 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 174.437	 	CA :: 44.690	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.534	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 107.446	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.A54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.89   M 0.08   C 0.01   

	C Shift Assignments>> 	CA :: 50.000	 	CB :: 18.624	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.510	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.905	
	Ave N Shift Values>> 	N :: 123.23(3.7)



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

	PRTL>>	P 0.73   C 0.26   

	C Shift Assignments>> 	C :: 175.522	 	CA :: 62.321	 	CB :: 32.236	 	CG :: 27.186	 	CD :: 50.860	
	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)



1.T56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.96   C 0.03   

	C Shift Assignments>> 	C :: 171.517	 	CA :: 63.547	 	CB :: 70.139	 	CG2 :: 21.767	
	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 :: 8.597	
	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 :: 118.773	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.A57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.82   M 0.07   C 0.06   L 0.03   

	C Shift Assignments>> 	C :: 174.985	 	CA :: 49.896	 	CB :: 20.820	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.720	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 125.009	
	Ave N Shift Values>> 	N :: 123.23(3.7)



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

	PRTL>>	Y 0.24   F 0.24   C 0.19   D 0.1   L 0.07   I 0.06   N 0.03   K 0.02   E 0.01   

	C Shift Assignments>> 	C :: 175.634	 	CA :: 57.073	 	CB :: 39.601	
	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 :: 9.125	
	Ave H Shift Values>> 	H :: 8.37(0.75) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.91(0.37) 	HD1 :: 6.87(0.65) 	HD2 :: 6.86(0.68)
			 	HE1 :: 6.64(0.58) 	HE2 :: 6.63(0.61) 	HH :: 9.25(1.34)

	N Shift Assignments>> 	N :: 123.426	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.G59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.81   C 0.09   L 0.06   R 0.01   

	C Shift Assignments>> 	C :: 171.811	 	CA :: 45.903	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 8.816	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 109.829	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.R60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.56   G 0.34   R 0.05   K 0.03   

	C Shift Assignments>> 	C :: 172.792	 	CA :: 54.914	 	CB :: 35.225	 	CG :: 27.815	 	CD :: 44.300	
	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 :: 9.107	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 121.145	
	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.A61	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.74   C 0.09   L 0.08   K 0.02   R 0.02   

	C Shift Assignments>> 	C :: 175.991	 	CA :: 50.087	 	CB :: 25.389(S)	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 9.448	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 127.549	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.T62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.56   T 0.43   

	C Shift Assignments>> 	C :: 173.805	 	CA :: 59.134	 	CB :: 73.004	 	CG2 :: 22.189	
	Ave C Shift Values>> 	C :: 174.6(1.8) 	CA :: 62.15(2.72) 	CB :: 69.64(1.7) 	CG2 :: 21.44(1.39)

	H Shift Assignments>> 	H :: 9.002	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 108.224	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.C63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.75   G 0.23   L 0.01   

	C Shift Assignments>> 	C :: 173.132	 	CA :: 52.815	 	CB :: 48.926	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.087	
	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 :: 115.437	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.K64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.38   C 0.37   R 0.2   M 0.02   

	HN Overlap>>	 1.A93 1.A93

	C Shift Assignments>> 	C :: 177.400	 	CA :: 57.331	 	CB :: 32.940	 	CG :: 25.084	 	CD :: 29.335	 	CE :: 42.147	
	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 :: 8.003	
	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 :: 123.736	
	Ave N Shift Values>> 	N :: 121.16(4.11) 	NZ :: 71.86(52.41)



1.Q65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.29   K 0.22   Q 0.21   E 0.12   R 0.05   I 0.04   M 0.02   P 0.01   

	C Shift Assignments>> 	C :: 176.152	 	CA :: 59.465	 	CB :: 28.618	 	CG :: 34.013	
	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 :: 8.644	 	HE21 :: 7.558	 	HE22 :: 6.714	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 123.199	 	NE2 :: 111.887	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.S66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.189	 	CA :: 58.517	 	CB :: 63.071	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.472	
	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 :: 108.050	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.I67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   I 0.48   

	C Shift Assignments>> 	C :: 176.674	 	CA :: 61.026	 	CB :: 38.705	 	CG1 :: 22.622	 	CG2 :: 17.059	 	CD1 :: 13.963	
	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 :: 7.388	
	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 :: 116.163	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.S68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.646	 	CA :: 57.478	 	CB :: 64.893	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 9.394	
	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 :: 120.814	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.Q69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.33   E 0.21   I 0.17   K 0.13   Q 0.1   R 0.01   P 0.01   M 0.01   

	C Shift Assignments>> 	C :: 178.801	 	CA :: 60.294	 	CB :: 28.626	 	CG :: 35.095	
	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 :: 9.099	 	HE21 :: 7.110	 	HE22 :: 7.030	
	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 :: 121.763	 	NE2 :: 112.421	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



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 :: 177.416	 	CA :: 60.909	 	CB :: 62.123	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.541	
	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 :: 113.204	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.D71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.26   F 0.24   C 0.2   D 0.08   I 0.07   L 0.05   N 0.03   E 0.02   K 0.01   

	C Shift Assignments>> 	C :: 177.777	 	CA :: 57.233	 	CB :: 39.328	
	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 :: 7.950	
	Ave H Shift Values>> 	H :: 8.33(0.57) 	HA :: 4.61(0.31) 	HB2 :: 2.74(0.29) 	HB3 :: 2.7(0.29)

	N Shift Assignments>> 	N :: 124.931	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.C72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.22   Q 0.19   K 0.16   M 0.16   E 0.1   V 0.04   R 0.03   H 0.03   Y 0.01   

	C Shift Assignments>> 	C :: 175.246	 	CA :: 57.648	 	CB :: 34.129	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.566	
	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 :: 120.660	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.T73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.97   C 0.02   

	HN Overlap>>	 1.L33 1.L33

	C Shift Assignments>> 	C :: 177.166	 	CA :: 66.311	 	CB :: 68.187	 	CG2 :: 22.447	
	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 :: 8.237	
	Ave H Shift Values>> 	H :: 8.27(0.62) 	HA :: 4.48(0.5) 	HB :: 4.17(0.37) 	HG1 :: 4.4(1.92) 	HG2 :: 1.16(0.28) 	HG21 :: 1.16(0.28)
			 	HG22 :: 1.16(0.28) 	HG23 :: 1.16(0.28)

	N Shift Assignments>> 	N :: 116.785	
	Ave N Shift Values>> 	N :: 115.7(5.05)



1.A74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.59   A 0.26   I 0.05   C 0.04   V 0.02   

	C Shift Assignments>> 	C :: 180.617	 	CA :: 55.920	 	CB :: 18.674	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 8.579	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 125.196	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.C75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.37   Y 0.2   C 0.19   F 0.17   E 0.03   

	C Shift Assignments>> 	C :: 176.187	 	CA :: 60.862	 	CB :: 38.265	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 8.678	
	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 :: 121.590	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.L76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.4   K 0.27   C 0.24   R 0.04   G 0.02   

	C Shift Assignments>> 	C :: 178.968	 	CA :: 57.829	 	CB :: 42.483	 	CG :: 26.908	 	CD1 :: 24.567	
	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 :: 8.489	
	Ave H Shift Values>> 	H :: 8.22(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.63(0.34) 	HB3 :: 1.57(0.36) 	HG :: 1.54(0.33) 	HD1 :: 0.77(0.27)
			 	HD2 :: 0.76(0.28)

	N Shift Assignments>> 	N :: 119.555	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.S77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.26   T 0.23   I 0.19   P 0.18   C 0.03   F 0.02   Y 0.02   S 0.01   

	C Shift Assignments>> 	C :: 175.947	 	CA :: 62.625	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 8.776	
	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 :: 115.717	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.N78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.24   Y 0.23   C 0.17   D 0.1   L 0.08   I 0.05   K 0.04   N 0.03   

	C Shift Assignments>> 	C :: 177.095	 	CA :: 57.176	 	CB :: 39.978	
	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 :: 7.650	 	HD21 :: 7.639	 	HD22 :: 6.877	
	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 :: 121.224	 	ND2 :: 110.828	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.L79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.54   R 0.21   L 0.19   K 0.03   

	HN Overlap>>	 1.F6 1.F6

	C Shift Assignments>> 	C :: 179.667	 	CA :: 59.548	 	CB :: 41.386	 	CG :: 28.609	 	CD1 :: 23.444	 	CD2 :: 25.953	
	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 :: 8.571	
	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 :: 120.797	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.V80	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.89   C 0.1   

	C Shift Assignments>> 	C :: 177.033	 	CA :: 66.902	 	CB :: 31.338	 	CG1 :: 24.207	 	CG2 :: 22.424	
	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 :: 9.043	
	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 :: 119.090	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.N81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.23   Y 0.2   N 0.15   F 0.15   D 0.09   E 0.07   I 0.03   L 0.02   M 0.01   

	C Shift Assignments>> 	C :: 177.443	 	CA :: 55.755	 	CB :: 38.308	
	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 :: 7.339	 	HD21 :: 7.563	 	HD22 :: 6.902	
	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 :: 114.987	 	ND2 :: 112.573	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.R82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   G 0.45   R 0.04   

	C Shift Assignments>> 	C :: 178.756	 	CA :: 57.496	 	CB :: 33.631	 	CG :: 26.228	 	CD :: 45.508	
	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 :: 7.776	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 117.703	
	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.I83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.81   C 0.18   

	HN Overlap>>	 1.I86 1.V98 1.I86 1.V98

	C Shift Assignments>> 	C :: 176.426	 	CA :: 66.750	 	CB :: 38.229	 	CG1 :: 30.904	 	CG2 :: 14.812	
	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 :: 8.450	
	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 :: 121.433	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.F84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.44   C 0.22   Y 0.13   F 0.09   E 0.05   V 0.03   

	C Shift Assignments>> 	C :: 177.362	 	CA :: 61.769	 	CB :: 37.222	
	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 :: 7.686	
	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 :: 122.550	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.S85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.S108 1.S108

	C Shift Assignments>> 	C :: 177.553	 	CA :: 60.245	 	CB :: 62.613	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.948	
	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 :: 115.209	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.I86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.93   C 0.06   

	HN Overlap>>	 1.I83 1.I83

	C Shift Assignments>> 	C :: 177.529	 	CA :: 65.106	 	CB :: 38.598	 	CG1 :: 28.944	 	CG2 :: 17.560	 	CD1 :: 13.890	
	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 :: 8.521	
	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 :: 121.371	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.C87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.4   C 0.37   M 0.06   P 0.03   E 0.03   Y 0.02   K 0.01   D 0.01   F 0.01   

	C Shift Assignments>> 	C :: 174.676	 	CA :: 50.970	 	CB :: 36.198	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.069	
	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 :: 110.032	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.N88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.27   N 0.22   E 0.15   Y 0.12   F 0.06   M 0.05   D 0.04   K 0.02   I 0.01   

	C Shift Assignments>> 	C :: 173.867	 	CA :: 54.755	 	CB :: 37.091	
	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 :: 7.574	 	HD21 :: 7.605	 	HD22 :: 6.817	
	Ave H Shift Values>> 	H :: 8.37(0.65) 	HA :: 4.7(0.39) 	HB2 :: 2.8(0.34) 	HB3 :: 2.78(0.34) 	HD21 :: 7.27(0.52) 	HD22 :: 7.2(0.52)

	N Shift Assignments>> 	N :: 120.164	 	ND2 :: 111.631	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



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

	PRTL>>	C 0.26   N 0.24   Y 0.13   E 0.12   F 0.08   D 0.05   M 0.04   I 0.01   K 0.01   L 0.01   

	C Shift Assignments>> 	C :: 173.534	 	CA :: 54.755	 	CB :: 37.376	
	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 :: 8.977	 	HD21 :: 7.335	 	HD22 :: 6.710	
	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 :: 113.597	 	ND2 :: 112.832	
	Ave N Shift Values>> 	N :: 119.13(4.42) 	ND2 :: 112.83(2.6)



1.A90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.4   A 0.24   C 0.14   M 0.13   K 0.04   

	C Shift Assignments>> 	C :: 179.745	 	CA :: 52.143	 	CB :: 22.593	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.226	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 118.682	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.I91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.87   C 0.12   

	C Shift Assignments>> 	C :: 174.458	 	CA :: 64.123	 	CB :: 38.281	 	CG1 :: 25.155	 	CG2 :: 17.279	 	CD1 :: 13.929	
	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 :: 8.736	
	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 :: 112.611	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.G92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.79   C 0.08   L 0.08   R 0.02   

	C Shift Assignments>> 	C :: 171.222	 	CA :: 45.492	
	Ave C Shift Values>> 	C :: 174.04(1.94) 	CA :: 45.33(1.42)

	H Shift Assignments>> 	H :: 6.753	
	Ave H Shift Values>> 	H :: 8.34(0.74) 	HA2 :: 3.95(0.4) 	HA3 :: 3.93(0.4)

	N Shift Assignments>> 	N :: 105.741	
	Ave N Shift Values>> 	N :: 109.91(4.29)



1.A93	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.47   C 0.2   K 0.11   A 0.06   M 0.05   P 0.04   R 0.02   

	HN Overlap>>	 1.K64 1.K64

	C Shift Assignments>> 	C :: 174.657	 	CA :: 51.317	 	CB :: 23.860	
	Ave C Shift Values>> 	C :: 177.8(2.18) 	CA :: 53.16(2.06) 	CB :: 18.9(1.85)

	H Shift Assignments>> 	H :: 7.977	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.42) 	HB :: 1.38(0.25)

	N Shift Assignments>> 	N :: 123.707	
	Ave N Shift Values>> 	N :: 123.23(3.7)



1.R94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.41   R 0.32   K 0.15   G 0.1   

	C Shift Assignments>> 	C :: 175.328	 	CA :: 55.210	 	CB :: 33.138	 	CG :: 27.311	 	CD :: 43.533	
	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 :: 8.334	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 118.776	
	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.V95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.45   V 0.42   I 0.09   M 0.01   K 0.01   

	C Shift Assignments>> 	C :: 171.089	 	CA :: 62.150	 	CB :: 35.869	 	CG1 :: 22.428	
	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 :: 8.767	
	Ave H Shift Values>> 	H :: 8.29(0.71) 	HA :: 4.16(0.57) 	HB :: 1.99(0.33) 	HG1 :: 0.84(0.27) 	HG2 :: 0.83(0.29)

	N Shift Assignments>> 	N :: 123.933	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.Q96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.49   C 0.37   Q 0.06   K 0.03   E 0.02   

	C Shift Assignments>> 	C :: 175.186	 	CA :: 54.734	 	CB :: 32.609	 	CG :: 32.189	
	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 :: 8.893	 	HE21 :: 8.224	 	HE22 :: 6.777	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 126.992	 	NE2 :: 115.147	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.L97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.44   L 0.29   C 0.24   

	C Shift Assignments>> 	C :: 177.735	 	CA :: 53.564	 	CB :: 41.620	 	CD1 :: 25.594	 	CD2 :: 20.959	
	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 :: 9.268	
	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 :: 126.317	
	Ave N Shift Values>> 	N :: 121.98(4.07)



1.V98	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.95   C 0.04   

	HN Overlap>>	 1.I83 1.I83

	C Shift Assignments>> 	C :: 179.203	 	CA :: 68.273	 	CB :: 30.337	 	CG1 :: 20.870	 	CG2 :: 23.956	
	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 :: 8.364	
	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 :: 121.443	
	Ave N Shift Values>> 	N :: 121.02(4.96)



1.D99	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.27   R 0.26   K 0.11   C 0.11   D 0.08   F 0.06   Y 0.04   G 0.03   

	C Shift Assignments>> 	C :: 176.489	 	CA :: 55.903	 	CB :: 43.072	
	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 :: 7.208	
	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 :: 111.813	
	Ave N Shift Values>> 	N :: 120.73(4.2)



1.C100	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.2   F 0.17   L 0.15   Y 0.13   C 0.13   D 0.08   R 0.06   I 0.03   

	C Shift Assignments>> 	C :: 170.494	 	CA :: 57.344	 	CB :: 41.352	
	Ave C Shift Values>> 	C :: 174.78(1.99) 	CA :: 57.43(3.41) 	CB :: 34.15(6.77)

	H Shift Assignments>> 	H :: 7.165	
	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 :: 109.195	
	Ave N Shift Values>> 	N :: 119.95(4.79)



1.F101	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.24   R 0.23   K 0.15   C 0.11   D 0.08   F 0.08   Y 0.05   G 0.01   

	C Shift Assignments>> 	C :: 173.734	 	CA :: 56.346	 	CB :: 42.726	
	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 :: 8.396	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 121.781	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.I102	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   G 0.24   I 0.23   

	C Shift Assignments>> 	C :: 172.345	 	CA :: 60.940	 	CB :: 43.589	 	CG1 :: 29.797	 	CG2 :: 16.911	 	CD1 :: 14.476	
	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 :: 7.545	
	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 :: 123.679	
	Ave N Shift Values>> 	N :: 121.6(4.72)



1.Q103	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.51   C 0.35   Q 0.08   K 0.02   E 0.01   

	C Shift Assignments>> 	C :: 174.758	 	CA :: 53.208	 	CB :: 32.166	 	CG :: 32.524	
	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 :: 8.710	 	HE21 :: 7.861	 	HE22 :: 6.420	
	Ave H Shift Values>> 	H :: 8.22(0.62) 	HA :: 4.28(0.44) 	HB2 :: 2.05(0.28) 	HB3 :: 2.04(0.29) 	HG2 :: 2.32(0.29) 	HG3 :: 2.32(0.29)
			 	HE21 :: 7.17(0.46) 	HE22 :: 7.07(0.49)

	N Shift Assignments>> 	N :: 124.450	 	NE2 :: 110.322	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.Y104	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.29   L 0.28   C 0.12   G 0.07   D 0.06   K 0.06   F 0.05   Y 0.03   

	C Shift Assignments>> 	C :: 173.560	 	CA :: 55.867	 	CB :: 43.577	
	Ave C Shift Values>> 	C :: 175.39(1.89) 	CA :: 58.02(2.64) 	CB :: 39.16(2.23) 	CG :: 129.29(1.21) 	CD1 :: 132.54(1.35) 	CD2 :: 132.26(1.99)
			 	CE1 :: 117.81(2.09) 	CE2 :: 117.91(2.6) 	CZ :: 156.37(2.5)

	H Shift Assignments>> 	H :: 8.804	
	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 :: 119.525	
	Ave N Shift Values>> 	N :: 120.79(4.69)



1.E105	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.95   M 0.03   E 0.01   

	C Shift Assignments>> 	C :: 175.882	 	CA :: 54.773	 	CB :: 35.912	 	CG :: 36.078	
	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 :: 9.518	
	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 :: 117.033	
	Ave N Shift Values>> 	N :: 120.68(3.68)



1.Q106	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.27   C 0.25   K 0.24   E 0.12   R 0.04   M 0.03   

	C Shift Assignments>> 	C :: 174.516	 	CA :: 55.268	 	CB :: 28.722	 	CG :: 34.188	
	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 :: 9.092	
	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 :: 118.335	
	Ave N Shift Values>> 	N :: 119.92(4.01) 	NE2 :: 111.81(2.2)



1.R107	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.41   R 0.29   K 0.19   G 0.09   

	C Shift Assignments>> 	C :: 173.690	 	CA :: 54.662	 	CB :: 32.759	 	CD :: 43.338	
	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 :: 7.707	
	Ave H Shift Values>> 	H :: 8.24(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.79(0.28) 	HB3 :: 1.78(0.28) 	HG2 :: 1.58(0.27) 	HG3 :: 1.58(0.27)
			 	HD2 :: 3.13(0.23) 	HD3 :: 3.13(0.22) 	HE :: 7.32(0.52) 	HH11 :: 6.74(0.31) 	HH12 :: 6.75(0.32) 	HH21 :: 6.72(0.32)
			 	HH22 :: 6.72(0.33)

	N Shift Assignments>> 	N :: 117.798	
	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.S108	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	HN Overlap>>	 1.S85 1.S85

	C Shift Assignments>> 	C :: 174.587	 	CA :: 58.364	 	CB :: 62.870	
	Ave C Shift Values>> 	C :: 174.53(1.73) 	CA :: 58.57(2.12) 	CB :: 63.8(1.57)

	H Shift Assignments>> 	H :: 7.938	
	Ave H Shift Values>> 	H :: 8.29(0.62) 	HA :: 4.51(0.43) 	HB2 :: 3.88(0.29) 	HB3 :: 3.87(0.31) 	HG :: 5.33(1.16)

	N Shift Assignments>> 	N :: 115.215	
	Ave N Shift Values>> 	N :: 116.3(3.95)



1.F109	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.24   F 0.22   C 0.2   D 0.1   N 0.06   I 0.05   L 0.05   E 0.02   

	C Shift Assignments>> 	C :: 174.640	 	CA :: 56.745	 	CB :: 39.206	
	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 :: 7.815	
	Ave H Shift Values>> 	H :: 8.42(0.74) 	HA :: 4.62(0.58) 	HB2 :: 2.99(0.37) 	HB3 :: 2.97(0.38) 	HD1 :: 6.91(0.82) 	HD2 :: 6.89(0.86)
			 	HE1 :: 6.95(0.82) 	HE2 :: 6.94(0.86) 	HZ :: 6.92(0.8)

	N Shift Assignments>> 	N :: 120.831	
	Ave N Shift Values>> 	N :: 120.69(4.18)



1.L110	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




1.H112	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H113	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H114	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H115	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H116	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H117	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable






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

Overall Results:

	      #Consistent: 115      #Clerical:   0      #Suspicious:   1      #Anomalous:   1      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent: 108      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   9


Shift Relative Order (SRO) Results:

	      #Consistent: 117      #Suspicious:   0


C Shift Results:

	      #Consistent: 388      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   1


H Shift Results:

	      #Consistent: 135      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent: 120      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.T37	CA = 69.873(A),	 Expected = 62.15, Std = 2.7200, ChiSquare = 4.5207e-03
1.A61	CB = 25.389(S),	 Expected = 18.90, Std = 1.8500, ChiSquare = 4.5222e-04