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


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




1.E2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.E3	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.S4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




1.K6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.A7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.V8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	CA :: 61.4	 	CB :: 32.9	 	CG1 :: 20.8	 	CG2 :: 20.4	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 7.98	 	HA :: 3.70	 	HB :: 1.53	 	HG11 :: 0.59	 	HG12 :: 0.59	 	HG13 :: 0.59	
			 	HG21 :: 0.26	 	HG22 :: 0.26	 	HG23 :: 0.26	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 127.6	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.K9	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.51   M 0.23   R 0.23   

	C Shift Assignments>> 	C :: 174.1	 	CA :: 54.1	 	CB :: 32.6	 	CG :: 28.9(S)	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.03	 	HA :: 4.61	 	HB2 :: 1.80	 	HB3 :: 1.80	 	HG2 :: 1.47	 	HG3 :: 1.47	
			 	HD2 :: 1.68	 	HD3 :: 1.68	 	HE2 :: 2.98	 	HE3 :: 2.98	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 127.2	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	M 0.31   Q 0.24   K 0.17   E 0.11   H 0.03   R 0.03   N 0.02   Y 0.02   W 0.01   

	C Shift Assignments>> 	C :: 176.1	 	CA :: 54.8	 	CB :: 34.7	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.07	 	HA :: 5.63	 	HB2 :: 2.78	 	HB3 :: 2.56	 	HD1 :: 6.86	 	HD2 :: 6.86	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 122.7	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.Y11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.26   R 0.2   K 0.2   D 0.12   F 0.1   Y 0.07   

	C Shift Assignments>> 	C :: 176.0	 	CA :: 56.3	 	CB :: 42.5	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.58	 	HA :: 5.07	 	HB2 :: 3.09	 	HB3 :: 2.34	 	HD1 :: 6.87	 	HD2 :: 6.87	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 118.8	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.T12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.4	 	CA :: 60.2	 	CB :: 70.0	 	CG2 :: 21.8	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.16	 	HA :: 4.48	 	HB :: 4.77	 	HG21 :: 1.14	 	HG22 :: 1.14	 	HG23 :: 1.14	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 116.0	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.L13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.95   R 0.03   

	HN Overlap>>	 1.E48 1.E48

	C Shift Assignments>> 	C :: 178.4	 	CA :: 58.2	 	CB :: 41.7	 	CG :: 26.7	 	CD1 :: 23.8	 	CD2 :: 25.2	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 9.69	 	HA :: 3.90	 	HB2 :: 1.65	 	HB3 :: 1.38	 	HG :: 1.59	 	HD11 :: 0.85	
			 	HD12 :: 0.85	 	HD13 :: 0.85	 	HD21 :: 0.81	 	HD22 :: 0.81	 	HD23 :: 0.81	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 124.6	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	E 0.66   I 0.14   K 0.08   M 0.06   Q 0.03   

	C Shift Assignments>> 	C :: 178.2	 	CA :: 57.9	 	CB :: 29.9	 	CG :: 36.7	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.35	 	HA :: 3.85	 	HB2 :: 2.52	 	HB3 :: 2.37	 	HG2 :: 2.65	 	HG3 :: 2.65	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 117.4	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	W 0.19   E 0.17   H 0.13   R 0.13   Q 0.12   K 0.12   I 0.05   M 0.03   V 0.02   

	C Shift Assignments>> 	CA :: 58.7	 	CB :: 29.7	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.57	 	HA :: 4.04	 	HB2 :: 2.38	 	HB3 :: 2.24	 	HG2 :: 2.65	 	HG3 :: 2.49	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 119.0	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 177.7	 	CA :: 65.3	 	CB :: 39.1	 	CG1 :: 29.0	 	CD1 :: 15.6	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.34	 	HA :: 3.53	 	HB :: 1.77	 	HG12 :: 1.99	 	HG13 :: 0.87	 	HD11 :: 0.66	
			 	HD12 :: 0.66	 	HD13 :: 0.66	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.8	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.Q17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Q 0.38   K 0.34   E 0.14   R 0.07   I 0.02   M 0.02   

	C Shift Assignments>> 	C :: 177.0	 	CA :: 57.5	 	CB :: 28.5	 	CG :: 34.2	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 8.10	 	HA :: 4.25	 	HB2 :: 2.05	 	HB3 :: 1.87	 	HG2 :: 2.48	 	HG3 :: 2.48	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 116.0	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.K18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.74   R 0.25   

	C Shift Assignments>> 	C :: 177.7	 	CA :: 56.6	 	CB :: 32.0	 	CG :: 24.7	 	CD :: 28.9	 	CE :: 41.9	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 7.08	 	HA :: 3.91	 	HB2 :: 1.50	 	HB3 :: 1.35	 	HG2 :: 1.50	 	HG3 :: 1.26	
			 	HD2 :: 1.51	 	HD3 :: 1.51	 	HE2 :: 2.82	 	HE3 :: 2.82	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 115.3	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.H19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.57   K 0.25   R 0.08   Q 0.03   H 0.02   W 0.01   

	C Shift Assignments>> 	C :: 175.1	 	CA :: 53.2	 	CB :: 25.2	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 7.68	 	HA :: 4.24	 	HB2 :: 2.29	 	HB3 :: 1.90	 	HD1 :: 6.89	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 122.3	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.N20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.79   D 0.1   F 0.03   Y 0.03   L 0.01   

	C Shift Assignments>> 	C :: 172.9	 	CA :: 51.0	 	CB :: 38.3	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 7.24	 	HA :: 4.69	 	HB2 :: 2.85	 	HB3 :: 2.20	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 118.3	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.N21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.37   D 0.37   L 0.13   F 0.05   Y 0.03   K 0.01   

	HN Overlap>>	 1.E52 1.E52

	C Shift Assignments>> 	CA :: 51.9	 	CB :: 40.5	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 8.01	 	HA :: 4.98	 	HB2 :: 3.12	 	HB3 :: 2.71	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 117.2	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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




1.K23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.2   K 0.18   R 0.16   H 0.14   W 0.11   E 0.09   Q 0.06   V 0.02   

	C Shift Assignments>> 	C :: 177.3	 	CA :: 56.5	 	CB :: 32.0	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.89	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 125.6	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.S24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.0	 	CA :: 57.6	 	CB :: 62.1	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.23	 	HA :: 4.87	 	HB2 :: 3.82	 	HB3 :: 3.52	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 113.9	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.T25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 172.6	 	CA :: 62.9	 	CB :: 71.3	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.88	 	HB :: 4.25	 	HG21 :: 1.17	 	HG22 :: 1.17	 	HG23 :: 1.17	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 119.7	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.W26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.28   P 0.22   Q 0.12   K 0.12   H 0.09   R 0.08   W 0.04   E 0.01   

	C Shift Assignments>> 	C :: 175.6	 	CA :: 52.0	 	CB :: 33.0	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 8.76	 	HA :: 6.12	 	HB2 :: 2.93	 	HB3 :: 2.65	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 126.9	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.L27	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.82   A 0.13   R 0.03   

	C Shift Assignments>> 	C :: 174.0	 	CA :: 54.1	 	CB :: 44.7	 	CG :: 22.8(S)	 	CD1 :: 26.2	 	CD2 :: 26.2	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.39	 	HA :: 4.38	 	HB2 :: 1.13	 	HB3 :: 0.69	 	HG :: -0.62(S)	 	HD11 :: -0.78(S)	
			 	HD12 :: -0.78(S)	 	HD13 :: -0.78(S)	 	HD21 :: 0.66	 	HD22 :: 0.66	 	HD23 :: 0.66	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 116.7	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	I 0.98   A 0.01   

	C Shift Assignments>> 	C :: 174.6	 	CA :: 59.0	 	CB :: 40.1	 	CG1 :: 27.4	 	CG2 :: 17.7	 	CD1 :: 15.2	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 7.84	 	HA :: 4.95	 	HB :: 1.28	 	HG12 :: 1.16	 	HG13 :: 0.44	 	HG21 :: 0.56	
			 	HG22 :: 0.56	 	HG23 :: 0.56	 	HD11 :: 0.66	 	HD12 :: 0.66	 	HD13 :: 0.66	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 120.9	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.L29	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Suspicious 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	A 0.68   G 0.28   L 0.01   

	C Shift Assignments>> 	CA :: 52.9	 	CB :: 42.9	 	CG :: 22.5(S)	 	CD1 :: 24.6	 	CD2 :: 24.7	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.30	 	HA :: 4.23	 	HB2 :: 1.00	 	HB3 :: 0.16(S)	 	HG :: -2.08(A)	 	HD11 :: -0.13	
			 	HD12 :: -0.13	 	HD13 :: -0.13	 	HD21 :: -0.84(S)	 	HD22 :: -0.84(S)	 	HD23 :: -0.84(S)	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 123.2	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.H30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.18   Q 0.16   K 0.13   W 0.12   H 0.11   L 0.1   E 0.1   I 0.04   M 0.01   

	C Shift Assignments>> 	C :: 174.9	 	CA :: 57.0	 	CB :: 27.9	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 9.09	 	HA :: 3.67	 	HB2 :: 3.06	 	HB3 :: 3.06	 	HD1 :: 7.00	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 125.9	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.Y31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.31   I 0.21   Y 0.15   F 0.08   V 0.07   M 0.06   K 0.05   Q 0.02   

	C Shift Assignments>> 	C :: 173.4	 	CA :: 59.8	 	CB :: 36.0	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.43	 	HA :: 3.64	 	HB2 :: 3.47	 	HB3 :: 3.17	 	HD1 :: 7.03	 	HD2 :: 7.03	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 107.7	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	K 0.98   A 0.01   

	C Shift Assignments>> 	C :: 173.4	 	CA :: 55.5	 	CB :: 33.8	 	CG :: 23.9	 	CD :: 28.6	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.23	 	HA :: 3.63	 	HB2 :: 1.60	 	HB3 :: 1.60	 	HG2 :: 1.36	 	HG3 :: 1.36	
			 	HD2 :: 1.54	 	HD3 :: 1.54	 	HE2 :: 3.04	 	HE3 :: 3.04	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 122.5	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.V33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 173.4	 	CA :: 61.4	 	CB :: 32.2	 	CG1 :: 21.9	 	CG2 :: 22.1	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.26	 	HA :: 4.00	 	HB :: 0.97	 	HG11 :: 0.50	 	HG12 :: 0.50	 	HG13 :: 0.50	
			 	HG21 :: -0.04	 	HG22 :: -0.04	 	HG23 :: -0.04	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 121.6	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.Y34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.33   L 0.24   K 0.12   F 0.1   N 0.1   Y 0.07   R 0.01   

	C Shift Assignments>> 	C :: 176.7	 	CA :: 54.4	 	CB :: 41.2	
	Ave C Shift Values>> 	C :: 175.4(1.99) 	CA :: 58.13(2.51) 	CB :: 39.32(2.16) 	CG :: 129.75(4.96) 	CD1 :: 132.77(1.17) 	CD2 :: 132.73(1.3)
			 	CE1 :: 117.93(1.19) 	CE2 :: 117.9(1.18) 	CZ :: 156.76(1.99)

	H Shift Assignments>> 	H :: 8.88	 	HA :: 4.81	 	HB2 :: 2.34	 	HB3 :: 2.44	 	HD1 :: 7.27	 	HD2 :: 7.27	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	G 0.99   

	C Shift Assignments>> 	C :: 176.4	 	CA :: 46.9(S)	 	CB :: 41.3	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.08	 	HA :: 5.13	 	HB2 :: 2.86	 	HB3 :: 2.54	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	L 0.78   R 0.12   G 0.08   

	C Shift Assignments>> 	C :: 178.5	 	CA :: 60.1	 	CB :: 42.7	 	CG :: 26.8	 	CD1 :: 25.6	 	CD2 :: 24.6	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 7.79	 	HA :: 4.81	 	HB2 :: 2.34	 	HB3 :: 2.06	 	HG :: 2.46	 	HD11 :: 1.23	
			 	HD12 :: 1.23	 	HD13 :: 1.23	 	HD21 :: 1.18	 	HD22 :: 1.18	 	HD23 :: 1.18	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 119.9	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	W 0.17   E 0.17   H 0.15   Q 0.14   R 0.14   K 0.12   M 0.04   I 0.02   V 0.01   

	C Shift Assignments>> 	C :: 177.2	 	CA :: 57.7	 	CB :: 29.8(A)	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.53	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 113.0	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.K38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.76   R 0.22   

	C Shift Assignments>> 	C :: 177.9	 	CA :: 55.6	 	CB :: 32.5	 	CG :: 24.7	 	CD :: 28.6	 	CE :: 41.8	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 8.24	 	HA :: 4.32	 	HB2 :: 1.81	 	HB3 :: 1.81	 	HG2 :: 1.39	 	HG3 :: 1.39	
			 	HD2 :: 1.65	 	HD3 :: 1.65	 	HE2 :: 2.96	 	HE3 :: 2.96	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 118.6	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	V 0.52   T 0.46   

	C Shift Assignments>> 	CA :: 64.3	 	CB :: 21.4(A)	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 8.89	 	HA :: 6.90(A)	 	HB2 :: 6.96(A)	 	HB3 :: 1.04(S)	 	HD1 :: 6.91	 	HD2 :: 6.91	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 119.8	
	Ave N Shift Values>> 	N :: 120.45(4.18)

	SRO Rule Breaks>>  	(HA > HB2 : 0.9952) 	(HD1 > HB2 : 0.9990) 	(HD2 > HB2 : 0.9994)


1.L40	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	L 0.89   R 0.04   A 0.03   G 0.01   

	C Shift Assignments>> 	CA :: 52.4	 	CB :: 41.9	 	CG :: 26.9	 	CD1 :: 26.4	 	CD2 :: 23.9	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.65	 	HA :: 4.23	 	HB2 :: 1.63	 	HB3 :: 1.00	 	HG :: 0.88	 	HD11 :: -0.13	
			 	HD12 :: -0.13	 	HD13 :: -0.13	 	HD21 :: -0.60(S)	 	HD22 :: -0.60(S)	 	HD23 :: -0.60(S)	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 119.7	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E41	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.E42	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H43	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P44	Overall: Anomalous 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 64.2	 	CB :: 31.1	 	CG :: 27.7	 	CD :: 50.0	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.04	 	HB2 :: 0.64(S)	 	HB3 :: -3.48(A)	 	HG2 :: 1.23	 	HG3 :: -0.58(S)	 	HD2 :: 4.28	
			 	HD3 :: 0.28(S)	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)

	N Shift Assignments>> 	N :: 120.0	
	Ave N Shift Values>> 	N :: 134.16(6.62)

	SRO Rule Breaks>>  	(HD3 > HG2 : 0.9928)


1.G45	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.G46	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.92   L 0.06   

	C Shift Assignments>> 	C :: 177.2	 	CA :: 46.3	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 10.47(S)	 	HA2 :: 6.06(S)	 	HA3 :: 5.74(S)	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 113.0	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.E47	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	E 0.66   M 0.23   I 0.06   Q 0.02   K 0.01   

	C Shift Assignments>> 	C :: 179.3	 	CA :: 59.1	 	CB :: 31.6	 	CG :: 36.5	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.98	 	HA :: 5.84(S)	 	HB2 :: 2.77(S)	 	HB3 :: 2.87(S)	 	HG2 :: 2.86	 	HG3 :: 2.86	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 121.6	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.E48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.77   E 0.18   K 0.02   

	HN Overlap>>	 1.L13 1.L13

	C Shift Assignments>> 	C :: 179.4	 	CA :: 61.7	 	CB :: 28.9	 	CG :: 36.7	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.58	 	HA :: 4.21	 	HB2 :: 2.48	 	HB3 :: 2.32	 	HG2 :: 2.59	 	HG3 :: 2.59	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 124.6	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.V49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 176.8	 	CA :: 63.9	 	CB :: 31.1	 	CG1 :: 22.1	 	CG2 :: 21.3	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 9.30	 	HA :: 4.03	 	HB :: 2.17	 	HG11 :: 1.56	 	HG12 :: 1.56	 	HG13 :: 1.56	
			 	HG21 :: 1.47	 	HG22 :: 1.47	 	HG23 :: 1.47	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 113.0	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.L50	Overall: Anomalous 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	R 0.51   A 0.45   L 0.01   

	C Shift Assignments>> 	C :: 175.1	 	CA :: 55.9	 	CB :: 41.6	 	CG :: 29.4	 	CD1 :: 26.7	 	CD2 :: 19.6	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 7.29	 	HA :: 3.04	 	HB2 :: 2.68	 	HB3 :: 0.73	 	HG :: 2.66(S)	 	HD11 :: 3.62(A)	
			 	HD12 :: 3.62(A)	 	HD13 :: 3.62(A)	 	HD21 :: -2.58(A)	 	HD22 :: -2.58(A)	 	HD23 :: -2.58(A)	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 116.9	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.R51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.53   L 0.42   R 0.02   

	C Shift Assignments>> 	CA :: 54.6	 	CB :: 28.4	 	CG :: 24.4	 	CD :: 41.7	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 8.38	 	HA :: 3.78	 	HB2 :: 1.98	 	HB3 :: 1.98	 	HG2 :: 1.99	 	HG3 :: 1.70	
			 	HD2 :: 3.29	 	HD3 :: 3.29	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 119.3	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.E52	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	W 0.18   E 0.16   K 0.14   Q 0.13   H 0.13   R 0.12   I 0.05   M 0.03   V 0.01   

	HN Overlap>>	 1.N21 1.N21

	C Shift Assignments>> 	C :: 177.0	 	CA :: 58.5	 	CB :: 29.5	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.10	 	HA :: 3.91	 	HB2 :: 1.82	 	HB3 :: 1.55	 	HG2 :: 3.04(S)	 	HG3 :: 2.95	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 117.2	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Q53	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	K 0.37   Q 0.26   R 0.17   M 0.13   P 0.04   

	C Shift Assignments>> 	C :: 174.4	 	CA :: 52.8	 	CB :: 28.7	 	CG :: 32.5	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 6.54	 	HA :: 4.08	 	HB2 :: 0.76(S)	 	HB3 :: 1.70	 	HG2 :: 1.93	 	HG3 :: 1.27(S)	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 113.5	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



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

	PRTL>>	A 0.9   M 0.06   L 0.02   

	C Shift Assignments>> 	C :: 177.6	 	CA :: 52.9	 	CB :: 20.0	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 6.83	 	HA :: 3.71	 	HB1 :: 1.38	 	HB2 :: 1.38	 	HB3 :: 1.38	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.6	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.G55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.73   L 0.16   R 0.04   F 0.01   D 0.01   

	C Shift Assignments>> 	C :: 172.7	 	CA :: 44.9	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 9.30	 	HA2 :: 3.85	 	HA3 :: 3.50	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 111.1	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.G56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.31   L 0.31   G 0.22   D 0.04   F 0.04   Y 0.02   K 0.01   

	C Shift Assignments>> 	C :: 171.5	 	CA :: 43.9	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.24	 	HA2 :: 4.09	 	HA3 :: 3.52	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 104.9	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.D57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.31   D 0.27   R 0.13   K 0.13   F 0.05   N 0.04   Y 0.03   G 0.01   

	C Shift Assignments>> 	C :: 175.5	 	CA :: 53.7	 	CB :: 42.4	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.33	 	HA :: 4.70	 	HB2 :: 2.55	 	HB3 :: 2.14	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 117.9	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.A58	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	A 0.96   M 0.01   G 0.01   

	C Shift Assignments>> 	C :: 175.6	 	CA :: 49.5	 	CB :: 19.7	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.29	 	HA :: 4.33	 	HB1 :: 0.05(S)	 	HB2 :: 0.05(S)	 	HB3 :: 0.05(S)	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 129.2	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.T59	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	CA :: 68.8	 	CB :: 68.2	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.55	 	HA :: 2.82(S)	 	HB :: 3.79	 	HG21 :: 0.34(S)	 	HG22 :: 0.34(S)	 	HG23 :: 0.34(S)	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 117.6	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.E60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.41   I 0.21   K 0.19   Q 0.14   M 0.01   

	C Shift Assignments>> 	CA :: 59.6	 	CB :: 29.0	 	CG :: 35.5	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 7.99	 	HA :: 4.27	 	HB2 :: 2.29	 	HB3 :: 2.19	 	HG2 :: 2.56	 	HG3 :: 2.44	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 114.8	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.N61	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	N 0.27   Y 0.22   F 0.16   E 0.14   D 0.07   M 0.05   I 0.03   L 0.02   

	C Shift Assignments>> 	C :: 177.0	 	CA :: 55.4	 	CB :: 37.7	
	Ave C Shift Values>> 	C :: 175.27(1.79) 	CA :: 53.54(1.88) 	CB :: 38.69(1.69) 	CG :: 176.76(1.38)

	H Shift Assignments>> 	H :: 7.58	 	HA :: 4.18	 	HB2 :: 2.04	 	HB3 :: 1.60(S)	
	Ave H Shift Values>> 	H :: 8.34(0.63) 	HA :: 4.67(0.36) 	HB2 :: 2.81(0.31) 	HB3 :: 2.75(0.33) 	HD21 :: 7.35(0.48) 	HD22 :: 7.14(0.49)

	N Shift Assignments>> 	N :: 116.7	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.F62	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	I 0.51   F 0.24   Y 0.22   

	C Shift Assignments>> 	C :: 179.7	 	CA :: 61.8	 	CB :: 40.2	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 7.81	 	HA :: 3.06	 	HB2 :: 2.73	 	HB3 :: 0.77(S)	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 118.6	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	E 0.46   K 0.2   Q 0.17   I 0.12   M 0.03   

	C Shift Assignments>> 	C :: 180.2	 	CA :: 58.9	 	CB :: 29.4	 	CG :: 35.5	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.76	 	HA :: 5.36	 	HB2 :: 2.72(S)	 	HB3 :: 2.34	 	HG2 :: 3.05(S)	 	HG3 :: 2.97	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.D64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.26   L 0.19   F 0.18   Y 0.13   D 0.11   R 0.06   I 0.02   

	C Shift Assignments>> 	C :: 178.5	 	CA :: 57.2	 	CB :: 41.7	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.80	 	HA :: 4.79	 	HB2 :: 2.94	 	HB3 :: 2.77	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 122.0	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.V65	Overall: Anomalous 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Consistent 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	V 0.99   

	C Shift Assignments>> 	C :: 177.8	 	CA :: 65.1	 	CB :: 33.8	 	CG1 :: 23.2	 	CG2 :: 23.0	
	Ave C Shift Values>> 	C :: 175.62(1.9) 	CA :: 62.49(2.86) 	CB :: 32.73(1.79) 	CG1 :: 21.49(1.36) 	CG2 :: 21.26(1.56)

	H Shift Assignments>> 	H :: 8.03	 	HA :: 4.35	 	HB :: 4.56(A)	 	HG11 :: 2.78(A)	 	HG12 :: 2.78(A)	 	HG13 :: 2.78(A)	
			 	HG21 :: 1.52	 	HG22 :: 1.52	 	HG23 :: 1.52	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 116.5	
	Ave N Shift Values>> 	N :: 121.14(4.54)

	SRO Rule Breaks>>  	(HA > HB : 0.9996)


1.G66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.83   P 0.05   A 0.04   L 0.04   N 0.01   

	C Shift Assignments>> 	C :: 176.9	 	CA :: 47.6	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.94	 	HA2 :: 5.13	 	HA3 :: 4.85	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 109.5	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.H67	Overall: Mistyped 	Typing: Mistyped 	SRO: Suspicious 	C Shifts: Anomalous 	H Shifts: Anomalous 	N Shifts: Consistent

	PRTL>>	V 0.94   T 0.03   I 0.01   

	C Shift Assignments>> 	C :: 178.3	 	CA :: 80.2(A)	 	CB :: 18.8(S)	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 11.36(S)	 	HA :: 7.37(S)	 	HB2 :: 10.22(A)	 	HB3 :: 9.93(A)	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 120.4	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)

	SRO Rule Breaks>>  	(HA > HB2 : 0.9926) 	(HA > HB3 : 0.9952)


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

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 176.4	 	CA :: 59.0	 	CB :: 65.2	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 11.70(S)	 	HA :: 4.93	 	HB2 :: 4.49	 	HB3 :: 4.19	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 126.3	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.T69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 177.2	 	CA :: 66.6	 	CB :: 68.3	 	CG2 :: 22.3	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.28	 	HA :: 4.46	 	HB :: 4.45	 	HG21 :: 1.54	 	HG22 :: 1.54	 	HG23 :: 1.54	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 117.4	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.D70	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.34   Y 0.32   I 0.09   D 0.09   L 0.09   N 0.02   K 0.01   

	C Shift Assignments>> 	C :: 179.1	 	CA :: 57.7	 	CB :: 39.9	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.28	 	HA :: 4.44	 	HB2 :: 2.54	 	HB3 :: 2.45	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 122.3	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.A71	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	A 0.51   M 0.22   L 0.12   V 0.08   T 0.03   I 0.02   

	C Shift Assignments>> 	C :: 180.9	 	CA :: 55.8	 	CB :: 20.2	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.81	 	HA :: 4.07	 	HB1 :: 2.45(S)	 	HB2 :: 2.45(S)	 	HB3 :: 2.45(S)	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 125.0	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.R72	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.73   R 0.19   K 0.07   

	C Shift Assignments>> 	C :: 181.1	 	CA :: 60.4	 	CB :: 30.7	 	CG :: 30.0	 	CD :: 43.9	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 9.29	 	HA :: 4.67	 	HB2 :: 3.12(S)	 	HB3 :: 2.82(S)	 	HG2 :: 2.63(S)	 	HG3 :: 2.60(S)	
			 	HD2 :: 4.09(S)	 	HD3 :: 3.86	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 119.9	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.E73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.18   K 0.16   I 0.14   E 0.13   Q 0.12   H 0.1   R 0.08   M 0.01   L 0.01   V 0.01   

	C Shift Assignments>> 	C :: 179.7	 	CA :: 59.1	 	CB :: 28.7	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 9.02	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 123.9	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.L74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.93   K 0.03   A 0.02   

	C Shift Assignments>> 	C :: 180.1	 	CA :: 57.4	 	CB :: 41.5	 	CD1 :: 26.2	 	CD2 :: 22.4	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.27	 	HA :: 4.15	 	HB2 :: 1.99	 	HB3 :: 1.66	 	HG :: 1.34	 	HD11 :: 0.97	
			 	HD12 :: 0.97	 	HD13 :: 0.97	 	HD21 :: 0.86	 	HD22 :: 0.86	 	HD23 :: 0.86	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 122.7	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.5	 	CA :: 61.9	 	CB :: 63.7	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.47	 	HA :: 3.85	 	HB2 :: 3.84	 	HB3 :: 3.47	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 115.5	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.K76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.73   R 0.26   

	HN Overlap>>	 1.R88 1.R88

	C Shift Assignments>> 	C :: 178.9	 	CA :: 57.1	 	CB :: 31.7	 	CG :: 25.0	 	CD :: 28.6	 	CE :: 41.7	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 7.15	 	HA :: 4.57	 	HB2 :: 2.21	 	HB3 :: 1.98	 	HG2 :: 1.67	 	HG3 :: 1.67	
			 	HD2 :: 1.87	 	HD3 :: 1.87	 	HE2 :: 3.15	 	HE3 :: 3.15	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.T77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	C :: 175.1	 	CA :: 63.4	 	CB :: 68.7	 	CG2 :: 20.8	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 7.60	 	HA :: 3.89	 	HB :: 3.68	 	HG21 :: 0.98	 	HG22 :: 0.98	 	HG23 :: 0.98	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 110.5	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.F78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.26   Y 0.24   D 0.19   L 0.14   N 0.07   I 0.03   K 0.02   

	C Shift Assignments>> 	CA :: 56.4	 	CB :: 40.0	
	Ave C Shift Values>> 	C :: 175.42(1.99) 	CA :: 58.08(2.57) 	CB :: 39.99(2.09) 	CG :: 138.41(2.04) 	CD1 :: 131.58(1.18) 	CD2 :: 131.63(1.12)
			 	CE1 :: 130.71(1.3) 	CE2 :: 130.76(1.13) 	CZ :: 129.21(1.43)

	H Shift Assignments>> 	H :: 7.25	 	HA :: 4.76	 	HB2 :: 3.54	 	HB3 :: 2.46	 	HD1 :: 6.67	 	HD2 :: 6.67	
	Ave H Shift Values>> 	H :: 8.36(0.72) 	HA :: 4.63(0.57) 	HB2 :: 3(0.37) 	HB3 :: 2.93(0.4) 	HD1 :: 7.06(0.31) 	HD2 :: 7.06(0.31)
			 	HE1 :: 7.08(0.31) 	HE2 :: 7.08(0.32) 	HZ :: 7(0.42)

	N Shift Assignments>> 	N :: 118.6	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 177.9	 	CA :: 62.6	 	CB :: 38.4	 	CG1 :: 29.4	 	CG2 :: 17.0	 	CD1 :: 13.9	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 6.74	 	HA :: 3.41	 	HB :: 1.26	 	HG12 :: 1.24	 	HG13 :: -0.39(S)	 	HG21 :: 0.68	
			 	HG22 :: 0.68	 	HG23 :: 0.68	 	HD11 :: 0.76	 	HD12 :: 0.76	 	HD13 :: 0.76	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 120.9	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 175.8	 	CA :: 60.7	 	CB :: 39.4	 	CG1 :: 25.6	 	CG2 :: 18.4	 	CD1 :: 12.0	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 8.55	 	HA :: 4.50	 	HB :: 1.79	 	HG12 :: 0.11	 	HG13 :: -0.15	 	HG21 :: 0.67	
			 	HG22 :: 0.67	 	HG23 :: 0.67	 	HD11 :: -1.20(A)	 	HD12 :: -1.20(A)	 	HD13 :: -1.20(A)	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 120.2	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	G 0.88   L 0.09   

	C Shift Assignments>> 	C :: 171.3	 	CA :: 45.4	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.26	 	HA2 :: 4.34	 	HA3 :: 4.00	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 111.4	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.E82	Overall: Suspicious 	Typing: Consistent 	SRO: Suspicious 	C Shifts: Suspicious 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.98   Q 0.01   

	C Shift Assignments>> 	C :: 175.0	 	CA :: 54.4	 	CB :: 36.7(S)	 	CG :: 34.5	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.95	 	HA :: 5.08	 	HB2 :: 2.21	 	HB3 :: 2.21	 	HG2 :: 2.08	 	HG3 :: 1.64	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 119.2	
	Ave N Shift Values>> 	N :: 120.67(3.48)

	SRO Rule Breaks>>  	(CG > CB : 0.9917)


1.L83	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	L 0.67   R 0.21   G 0.08   A 0.01   

	C Shift Assignments>> 	C :: 176.7	 	CA :: 54.1	 	CB :: 43.2	 	CG :: 27.9	 	CD1 :: 25.7	 	CD2 :: 24.0	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 8.84	 	HA :: 4.54	 	HB2 :: 1.69	 	HB3 :: 1.00	 	HG :: 0.89	 	HD11 :: 1.82(S)	
			 	HD12 :: 1.82(S)	 	HD13 :: 1.82(S)	 	HD21 :: 1.00	 	HD22 :: 1.00	 	HD23 :: 1.00	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 123.4	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.H84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.18   R 0.16   K 0.15   H 0.15   W 0.12   E 0.11   Q 0.07   V 0.01   

	C Shift Assignments>> 	CA :: 56.5	 	CB :: 31.7	
	Ave C Shift Values>> 	C :: 175.25(1.97) 	CA :: 56.52(2.31) 	CB :: 30.24(2.07) 	CG :: 131.52(3.27) 	CD2 :: 120.49(3.42) 	CE1 :: 137.71(2.12)

	H Shift Assignments>> 	H :: 9.02	 	HA :: 3.69	 	HB2 :: 2.77	 	HB3 :: 2.52	 	HD1 :: 7.00	
	Ave H Shift Values>> 	H :: 8.24(0.68) 	HA :: 4.61(0.43) 	HB2 :: 3.1(0.36) 	HB3 :: 3.04(0.38) 	HD1 :: 8.68(2.62) 	HD2 :: 7(0.43)
			 	HE1 :: 7.95(0.48) 	HE2 :: 9.64(2.6)

	N Shift Assignments>> 	N :: 131.3	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.P85	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	P 0.99   

	C Shift Assignments>> 	CA :: 66.0	 	CB :: 32.4	 	CG :: 27.2	 	CD :: 49.5	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 3.61	 	HB2 :: 2.15	 	HB3 :: 1.67	 	HG2 :: 1.44	 	HG3 :: 1.34	 	HD2 :: 2.12(S)	
			 	HD3 :: 1.48(S)	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)

	N Shift Assignments>> 	N :: 120.4	
	Ave N Shift Values>> 	N :: 134.16(6.62)



1.D86	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	F 0.29   Y 0.28   D 0.16   L 0.11   N 0.06   I 0.05   

	C Shift Assignments>> 	C :: 177.3	 	CA :: 56.7	 	CB :: 39.7	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 11.03(S)	 	HA :: 4.40	 	HB2 :: 2.63	 	HB3 :: 2.58	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 121.6	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.D87	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.33   R 0.22   D 0.19   K 0.09   F 0.05   Y 0.03   G 0.03   N 0.01   

	C Shift Assignments>> 	C :: 177.6	 	CA :: 54.2	 	CB :: 42.9	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 8.13	 	HA :: 4.92	 	HB2 :: 2.92	 	HB3 :: 2.63	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 117.9	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.R88	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	K 0.39   R 0.27   I 0.22   L 0.06   G 0.04   

	HN Overlap>>	 1.K76 1.K76

	C Shift Assignments>> 	CA :: 60.2	 	CB :: 28.6	 	CD :: 42.6	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 7.25	 	HA :: 3.86	 	HB2 :: 1.78	 	HB3 :: 1.57	 	HG2 :: 1.64	 	HG3 :: 1.64	
			 	HD2 :: 2.69	 	HD3 :: 2.12(S)	
	Ave H Shift Values>> 	H :: 8.24(0.61) 	HA :: 4.3(0.46) 	HB2 :: 1.79(0.27) 	HB3 :: 1.76(0.28) 	HG2 :: 1.57(0.27) 	HG3 :: 1.54(0.29)
			 	HD2 :: 3.12(0.24) 	HD3 :: 3.1(0.26) 	HE :: 7.4(0.63) 	HH11 :: 6.91(0.46) 	HH12 :: 6.8(0.33) 	HH21 :: 6.81(0.48)
			 	HH22 :: 6.76(0.36)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 120.8(3.68) 	NE :: 84.63(1.68) 	NH1 :: 73.82(4.62) 	NH2 :: 73.26(3.32)



1.S89	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.K90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.21   M 0.2   R 0.13   H 0.12   Q 0.11   W 0.09   E 0.07   V 0.03   

	C Shift Assignments>> 	C :: 176.9	 	CA :: 56.9	 	CB :: 32.5	
	Ave C Shift Values>> 	C :: 176.64(2) 	CA :: 56.95(2.2) 	CB :: 32.79(1.78) 	CG :: 24.89(1.13) 	CD :: 28.96(1.08) 	CE :: 41.89(0.82)

	H Shift Assignments>> 	H :: 7.55	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 120.6	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	I 0.99   

	C Shift Assignments>> 	C :: 175.2	 	CA :: 59.9	 	CB :: 37.9	 	CG1 :: 26.4	 	CG2 :: 17.8	 	CD1 :: 13.2	
	Ave C Shift Values>> 	C :: 175.85(1.92) 	CA :: 61.61(2.68) 	CB :: 38.63(2.02) 	CG1 :: 27.71(1.68) 	CG2 :: 17.53(1.36) 	CD1 :: 13.43(1.67)

	H Shift Assignments>> 	H :: 7.78	 	HA :: 4.33	 	HB :: 2.10	 	HG12 :: 1.39	 	HG13 :: 1.30	 	HG21 :: 0.81	
			 	HG22 :: 0.81	 	HG23 :: 0.81	 	HD11 :: 0.79	 	HD12 :: 0.79	 	HD13 :: 0.79	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 119.0	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.T92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.99   

	C Shift Assignments>> 	CA :: 61.8	 	CB :: 69.6	 	CG2 :: 21.3	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 8.41	 	HA :: 4.25	 	HB :: 4.06	 	HG21 :: 1.16	 	HG22 :: 1.16	 	HG23 :: 1.16	
	Ave H Shift Values>> 	H :: 8.24(0.62) 	HA :: 4.46(0.48) 	HB :: 4.17(0.33) 	HG1 :: 4.92(1.58) 	HG2 :: 1.14(0.23) 	HG21 :: 1.14(0.23)
			 	HG22 :: 1.14(0.23) 	HG23 :: 1.14(0.23)

	N Shift Assignments>> 	N :: 126.9	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.K93	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.P94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	P 0.99   

	C Shift Assignments>> 	C :: 179.7	 	CA :: 63.2	 	CB :: 31.9	 	CD :: 50.5	
	Ave C Shift Values>> 	C :: 176.75(1.51) 	CA :: 63.33(1.52) 	CB :: 31.85(1.18) 	CG :: 27.17(1.09) 	CD :: 50.32(0.99)

	H Shift Assignments>> 	HA :: 4.38	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)

	N Shift Assignments>> 	N :: 119.3	
	Ave N Shift Values>> 	N :: 134.16(6.62)



1.S95	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 174.6	 	CA :: 57.9	 	CB :: 63.3	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.36	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 117.0	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.E96	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.17   R 0.16   Q 0.16   E 0.15   W 0.15   K 0.1   M 0.07   

	C Shift Assignments>> 	C :: 175.6	 	CA :: 56.1	 	CB :: 30.0	
	Ave C Shift Values>> 	C :: 176.87(1.95) 	CA :: 57.32(2.09) 	CB :: 30.01(1.72) 	CG :: 36.11(1.19) 	CD :: 182.4(1.78)

	H Shift Assignments>> 	H :: 8.39	
	Ave H Shift Values>> 	H :: 8.33(0.59) 	HA :: 4.25(0.41) 	HB2 :: 2.02(0.21) 	HB3 :: 1.99(0.23) 	HG2 :: 2.27(0.21) 	HG3 :: 2.25(0.22)

	N Shift Assignments>> 	N :: 123.4	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.S97	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	CA :: 59.5	 	CB :: 64.4	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.92	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 122.6	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.I98	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.I99	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.T100	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.T101	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




1.D103	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




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




2.HEM1 Overall Status: Residue type HEM not supported.





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

Overall Results:

	      #Consistent:  74      #Clerical:   0      #Suspicious:  22      #Anomalous:   5      #Mistyped:   3      #Indeterminable:   0


Typing Results:

	      #Consistent:  80      #Suspicious:   0      #Mistyped:   3      #Indeterminable:  21


Shift Relative Order (SRO) Results:

	      #Consistent:  99      #Suspicious:   5


C Shift Results:

	      #Consistent: 298      #Duplicate:   0      #Unknown:   0      #Suspicious:   6      #Anomalous:   3


H Shift Results:

	      #Consistent: 434      #Duplicate:   0      #Unknown:   0      #Suspicious:  55      #Anomalous:  19


N Shift Results:

	      #Consistent:  83      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.K9	CG = 28.9(S),	 Expected = 24.89, Std = 1.1300, ChiSquare = 3.8718e-04
1.L27	CG = 22.8(S),	 Expected = 26.78, Std = 1.1000, ChiSquare = 2.9668e-04
1.L27	HG = -0.62(S),	 Expected =  1.51, Std = 0.3300, ChiSquare = 1.0854e-10
1.L27	HD11 = -0.78(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 4.6477e-08
1.L27	HD12 = -0.78(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 4.6477e-08
1.L27	HD13 = -0.78(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 4.6477e-08
1.L29	CG = 22.5(S),	 Expected = 26.78, Std = 1.1000, ChiSquare = 9.9869e-05
1.L29	HB3 = 0.16(S),	 Expected =  1.52, Std = 0.3600, ChiSquare = 1.5823e-04
1.L29	HG = -2.08(A),	 Expected =  1.51, Std = 0.3300, ChiSquare = 1.4548e-27
1.L29	HD21 = -0.84(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 6.1703e-08
1.L29	HD22 = -0.84(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 6.1703e-08
1.L29	HD23 = -0.84(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 6.1703e-08
1.D35	CA = 46.9(S),	 Expected = 54.69, Std = 2.0300, ChiSquare = 1.2432e-04
1.T37	Typing: Mistyped
1.T37	CB = 29.8(A),	 Expected = 69.73, Std = 1.6300, ChiSquare = 0.0000e+00
1.F39	Typing: Mistyped
1.F39	CB = 21.4(A),	 Expected = 39.99, Std = 2.0900, ChiSquare = 5.8558e-19
1.F39	HA = 6.90(A),	 Expected =  4.63, Std = 0.5700, ChiSquare = 6.8207e-05
1.F39	HB2 = 6.96(A),	 Expected =  3.00, Std = 0.3700, ChiSquare = 9.8852e-27
1.F39	HB3 = 1.04(S),	 Expected =  2.93, Std = 0.4000, ChiSquare = 2.3012e-06
1.F39	SRO Rule Break>>  HA > HB2 : 0.995201919232307
1.F39	SRO Rule Break>>  HD1 > HB2 : 0.999027237354086
1.F39	SRO Rule Break>>  HD2 > HB2 : 0.999425287356322
1.L40	HD21 = -0.60(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 4.5137e-06
1.L40	HD22 = -0.60(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 4.5137e-06
1.L40	HD23 = -0.60(S),	 Expected =  0.73, Std = 0.2900, ChiSquare = 4.5137e-06
1.P44	HB2 = 0.64(S),	 Expected =  2.08, Std = 0.3500, ChiSquare = 3.8838e-05
1.P44	HB3 = -3.48(A),	 Expected =  2.00, Std = 0.3600, ChiSquare = 2.5183e-52
1.P44	HG3 = -0.58(S),	 Expected =  1.90, Std = 0.3300, ChiSquare = 5.6845e-14
1.P44	HD3 = 0.28(S),	 Expected =  3.61, Std = 0.3900, ChiSquare = 1.3602e-17
1.P44	SRO Rule Break>>  HD3 > HG2 : 0.992802519118309
1.G46	H = 10.47(S),	 Expected =  8.33, Std = 0.6500, ChiSquare = 9.9369e-04
1.G46	HA2 = 6.06(S),	 Expected =  3.97, Std = 0.3700, ChiSquare = 1.6171e-08
1.G46	HA3 = 5.74(S),	 Expected =  3.90, Std = 0.3700, ChiSquare = 6.5934e-07
1.E47	HA = 5.84(S),	 Expected =  4.25, Std = 0.4100, ChiSquare = 1.0530e-04
1.E47	HB2 = 2.77(S),	 Expected =  2.02, Std = 0.2100, ChiSquare = 3.5504e-04
1.E47	HB3 = 2.87(S),	 Expected =  1.99, Std = 0.2300, ChiSquare = 1.3020e-04
1.L50	HG = 2.66(S),	 Expected =  1.51, Std = 0.3300, ChiSquare = 4.9242e-04
1.L50	HD11 = 3.62(A),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.1834e-24
1.L50	HD12 = 3.62(A),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.1834e-24
1.L50	HD13 = 3.62(A),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.1834e-24
1.L50	HD21 = -2.58(A),	 Expected =  0.73, Std = 0.2900, ChiSquare = 3.5682e-30
1.L50	HD22 = -2.58(A),	 Expected =  0.73, Std = 0.2900, ChiSquare = 3.5682e-30
1.L50	HD23 = -2.58(A),	 Expected =  0.73, Std = 0.2900, ChiSquare = 3.5682e-30
1.E52	HG2 = 3.04(S),	 Expected =  2.27, Std = 0.2100, ChiSquare = 2.4573e-04
1.Q53	HB2 = 0.76(S),	 Expected =  2.05, Std = 0.2500, ChiSquare = 2.4695e-07
1.Q53	HG3 = 1.27(S),	 Expected =  2.29, Std = 0.2900, ChiSquare = 4.3606e-04
1.A58	HB1 = 0.05(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 5.7330e-07
1.A58	HB2 = 0.05(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 5.7330e-07
1.A58	HB3 = 0.05(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 5.7330e-07
1.T59	HA = 2.82(S),	 Expected =  4.46, Std = 0.4800, ChiSquare = 6.3393e-04
1.T59	HG21 = 0.34(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 5.0468e-04
1.T59	HG22 = 0.34(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 5.0468e-04
1.T59	HG23 = 0.34(S),	 Expected =  1.14, Std = 0.2300, ChiSquare = 5.0468e-04
1.N61	HB3 = 1.60(S),	 Expected =  2.75, Std = 0.3300, ChiSquare = 4.9242e-04
1.F62	HB3 = 0.77(S),	 Expected =  2.93, Std = 0.4000, ChiSquare = 6.6641e-08
1.E63	HB2 = 2.72(S),	 Expected =  2.02, Std = 0.2100, ChiSquare = 8.5812e-04
1.E63	HG2 = 3.05(S),	 Expected =  2.27, Std = 0.2100, ChiSquare = 2.0378e-04
1.V65	HB = 4.56(A),	 Expected =  1.98, Std = 0.3200, ChiSquare = 7.4750e-16
1.V65	HG11 = 2.78(A),	 Expected =  0.83, Std = 0.2600, ChiSquare = 6.3818e-14
1.V65	HG12 = 2.78(A),	 Expected =  0.83, Std = 0.2600, ChiSquare = 6.3818e-14
1.V65	HG13 = 2.78(A),	 Expected =  0.83, Std = 0.2600, ChiSquare = 6.3818e-14
1.V65	SRO Rule Break>>  HA > HB : 0.999553969669938
1.H67	Typing: Mistyped
1.H67	CA = 80.2(A),	 Expected = 56.52, Std = 2.3100, ChiSquare = 1.1703e-24
1.H67	CB = 18.8(S),	 Expected = 30.24, Std = 2.0700, ChiSquare = 3.2655e-08
1.H67	H = 11.36(S),	 Expected =  8.24, Std = 0.6800, ChiSquare = 4.4701e-06
1.H67	HA = 7.37(S),	 Expected =  4.61, Std = 0.4300, ChiSquare = 1.3753e-10
1.H67	HB2 = 10.22(A),	 Expected =  3.10, Std = 0.3600, ChiSquare = 4.6263e-87
1.H67	HB3 = 9.93(A),	 Expected =  3.04, Std = 0.3800, ChiSquare = 1.7953e-73
1.H67	SRO Rule Break>>  HA > HB2 : 0.992622401073105
1.H67	SRO Rule Break>>  HA > HB3 : 0.995208761122519
1.S68	H = 11.70(S),	 Expected =  8.28, Std = 0.5900, ChiSquare = 6.7669e-09
1.A71	HB1 = 2.45(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 2.3289e-05
1.A71	HB2 = 2.45(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 2.3289e-05
1.A71	HB3 = 2.45(S),	 Expected =  1.35, Std = 0.2600, ChiSquare = 2.3289e-05
1.R72	HB2 = 3.12(S),	 Expected =  1.79, Std = 0.2700, ChiSquare = 8.3962e-07
1.R72	HB3 = 2.82(S),	 Expected =  1.76, Std = 0.2800, ChiSquare = 1.5327e-04
1.R72	HG2 = 2.63(S),	 Expected =  1.57, Std = 0.2700, ChiSquare = 8.6397e-05
1.R72	HG3 = 2.60(S),	 Expected =  1.54, Std = 0.2900, ChiSquare = 2.5701e-04
1.R72	HD2 = 4.09(S),	 Expected =  3.12, Std = 0.2400, ChiSquare = 5.3073e-05
1.I79	HG13 = -0.39(S),	 Expected =  1.19, Std = 0.4100, ChiSquare = 1.1637e-04
1.I80	HD11 = -1.20(A),	 Expected =  0.68, Std = 0.2900, ChiSquare = 9.0061e-11
1.I80	HD12 = -1.20(A),	 Expected =  0.68, Std = 0.2900, ChiSquare = 9.0061e-11
1.I80	HD13 = -1.20(A),	 Expected =  0.68, Std = 0.2900, ChiSquare = 9.0061e-11
1.E82	CB = 36.7(S),	 Expected = 30.01, Std = 1.7200, ChiSquare = 1.0044e-04
1.E82	SRO Rule Break>>  CG > CB : 0.99165623696287
1.L83	HD11 = 1.82(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.3268e-04
1.L83	HD12 = 1.82(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.3268e-04
1.L83	HD13 = 1.82(S),	 Expected =  0.75, Std = 0.2800, ChiSquare = 1.3268e-04
1.P85	HD2 = 2.12(S),	 Expected =  3.65, Std = 0.3500, ChiSquare = 1.2344e-05
1.P85	HD3 = 1.48(S),	 Expected =  3.61, Std = 0.3900, ChiSquare = 4.7203e-08
1.D86	H = 11.03(S),	 Expected =  8.31, Std = 0.5800, ChiSquare = 2.7367e-06
1.R88	HD3 = 2.12(S),	 Expected =  3.10, Std = 0.2600, ChiSquare = 1.6375e-04