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.D2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable

	PRTL>>	L 0.26   D 0.24   K 0.18   F 0.09   Y 0.06   R 0.06   C 0.05   N 0.04   

	C Shift Assignments>> 	CA :: 54.86	 	CB :: 41.80	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)



1.D3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.2   D 0.18   K 0.17   F 0.16   Y 0.12   C 0.07   N 0.02   R 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 56.22	 	CB :: 41.23	
	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 :: 8.53	 	HA :: 4.47	 	HB2 :: 2.67	 	HB3 :: 2.65	
	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 :: 122.95	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.I4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.84   C 0.15   

	HN Overlap>>	 1.L78 1.L78

	C Shift Assignments>> 	CA :: 63.79	 	CB :: 37.74	 	CG1 :: 27.16	 	CG2 :: 17.17	 	CD1 :: 13.38	
	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 :: 8.24	 	HA :: 3.92	 	HB :: 1.67	 	HG12 :: 0.97	 	HG21 :: 0.59	 	HG22 :: 0.59	
			 	HG23 :: 0.59	 	HD11 :: 0.71	 	HD12 :: 0.71	 	HD13 :: 0.71	
	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 :: 119.85	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.Y5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.6   C 0.39   

	C Shift Assignments>> 	CA :: 59.81	 	CB :: 37.90	 	CD1 :: 132.28	 	CD2 :: 132.28	 	CE1 :: 118.48	 	CE2 :: 118.48	
	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 :: 7.62	 	HA :: 4.44	 	HB2 :: 3.11	 	HB3 :: 2.90	 	HD1 :: 7.06	 	HD2 :: 7.06	
			 	HE1 :: 6.81	 	HE2 :: 6.81	
	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 :: 121.33	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	C 0.46   K 0.43   R 0.09   

	C Shift Assignments>> 	CA :: 59.66	 	CB :: 32.51	 	CG :: 25.23	 	CD :: 29.38	 	CE :: 42.12	
	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 :: 7.90	 	HA :: 3.98	 	HB2 :: 1.87	 	HG2 :: 1.50	 	HG3 :: 1.40	 	HD2 :: 1.71	
			 	HE2 :: 3.00	
	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 :: 121.15	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	A 0.53   M 0.42   C 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 54.41	 	CB :: 18.18	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.92	 	HA :: 4.15	 	HB1 :: 1.41	 	HB2 :: 1.41	 	HB3 :: 1.41	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.35	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.A8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.56   M 0.38   C 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 54.52	 	CB :: 18.51	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.50	 	HA :: 4.16	 	HB1 :: 1.55	 	HB2 :: 1.55	 	HB3 :: 1.55	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.20	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.V9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.87   C 0.12   

	HN Overlap>>	 1.L57 1.L57

	C Shift Assignments>> 	CA :: 66.03	 	CB :: 31.96	 	CG1 :: 22.01	 	CG2 :: 23.24	
	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 :: 8.05	 	HA :: 3.60	 	HB :: 2.21	 	HG11 :: 0.93	 	HG12 :: 0.93	 	HG13 :: 0.93	
			 	HG21 :: 0.99	 	HG22 :: 0.99	 	HG23 :: 0.99	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 119.00	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	E 0.38   C 0.36   I 0.11   K 0.07   Q 0.03   M 0.02   

	HN Overlap>>	 1.A23 1.A23

	C Shift Assignments>> 	CA :: 58.24	 	CB :: 29.52	 	CG :: 36.45	
	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 :: 7.82	 	HA :: 4.13	 	HB2 :: 2.16	 	HG2 :: 2.47	 	HG3 :: 2.35	
	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 :: 119.05	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	Q 0.31   K 0.25   C 0.23   E 0.11   M 0.06   R 0.02   

	C Shift Assignments>> 	CA :: 55.63	 	CB :: 29.41	 	CG :: 34.18	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.38	 	HA :: 4.30	 	HB2 :: 2.33	 	HB3 :: 2.05	 	HG2 :: 2.50	
	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 :: 115.31	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.L12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.31   L 0.31   R 0.24   G 0.08   A 0.03   

	C Shift Assignments>> 	CA :: 55.15	 	CB :: 43.22	 	CG :: 26.39	 	CD1 :: 23.18	 	CD2 :: 27.23	
	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 :: 7.36	 	HA :: 4.51	 	HB2 :: 1.95	 	HB3 :: 1.47	 	HG :: 2.14	 	HD11 :: 0.93	
			 	HD12 :: 0.93	 	HD13 :: 0.93	 	HD21 :: 0.95	 	HD22 :: 0.95	 	HD23 :: 0.95	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 121.00	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	T 0.82   C 0.17   

	HN Overlap>>	 1.T53 1.T53

	C Shift Assignments>> 	CA :: 60.67	 	CB :: 71.13	 	CG2 :: 21.91	
	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 :: 8.85	 	HA :: 4.44	 	HB :: 4.80	 	HG21 :: 1.40	 	HG22 :: 1.40	 	HG23 :: 1.40	
	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 :: 114.00	
	Ave N Shift Values>> 	N :: 115.42(4.75)



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

	PRTL>>	C 0.37   E 0.31   I 0.19   K 0.06   Q 0.03   M 0.01   

	C Shift Assignments>> 	CA :: 59.89	 	CB :: 29.34	 	CG :: 36.15	
	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 :: 8.99	 	HA :: 3.96	 	HB2 :: 2.07	 	HG2 :: 2.37	
	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 :: 122.08	
	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>>	C 0.38   I 0.3   E 0.26   K 0.03   

	C Shift Assignments>> 	CA :: 60.10	 	CB :: 29.24	 	CG :: 36.83	
	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 :: 8.57	 	HA :: 4.05	 	HB2 :: 2.07	 	HB3 :: 1.94	 	HG2 :: 2.35	
	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 :: 118.15	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Q16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.32   E 0.24   Q 0.17   K 0.15   I 0.04   M 0.04   

	HN Overlap>>	 1.M85 1.M85

	C Shift Assignments>> 	CA :: 58.80	 	CB :: 29.66	 	CG :: 34.99	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.80	 	HA :: 3.86	 	HB2 :: 2.36	 	HB3 :: 1.65	 	HG2 :: 2.38	 	HG3 :: 2.28	
			 	HE21 :: 7.46	 	HE22 :: 6.79	
	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 :: 119.60	 	NE2 :: 112.06	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.K17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.55   K 0.36   R 0.06   G 0.01   

	C Shift Assignments>> 	CA :: 61.58	 	CB :: 32.13	 	CG :: 25.28	 	CD :: 29.57	 	CE :: 42.09	
	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 :: 8.50	 	HA :: 3.97	 	HB2 :: 2.01	 	HG2 :: 1.41	 	HD2 :: 1.77	 	HE2 :: 3.00	
	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 :: 119.10	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.2   C 0.2   N 0.16   F 0.15   E 0.1   D 0.05   M 0.03   I 0.03   L 0.02   

	C Shift Assignments>> 	CA :: 55.85	 	CB :: 37.84	
	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 :: 8.50	 	HA :: 4.55	 	HB2 :: 2.99	 	HB3 :: 2.81	 	HD21 :: 7.61	 	HD22 :: 6.99	
	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 :: 117.98	 	ND2 :: 111.86	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.E19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.36   E 0.32   I 0.18   K 0.07   Q 0.03   M 0.01   

	C Shift Assignments>> 	CA :: 59.68	 	CB :: 29.28	 	CG :: 36.16	
	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 :: 8.01	 	HA :: 4.19	 	HB2 :: 2.07	 	HB3 :: 1.95	 	HG2 :: 2.41	 	HG3 :: 2.21	
	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 :: 123.67	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.F20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.42   F 0.3   Y 0.26   

	C Shift Assignments>> 	CA :: 59.62	 	CB :: 37.94	 	CD1 :: 130.35	 	CD2 :: 130.35	
	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 :: 8.35	 	HA :: 4.92	 	HB2 :: 3.48	 	HB3 :: 3.43	 	HD1 :: 7.21	 	HD2 :: 7.21	
	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 :: 118.10	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.K21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.87   K 0.12   

	C Shift Assignments>> 	CA :: 58.75	 	CB :: 31.88	 	CG :: 24.60	 	CE :: 39.90	
	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	 	HA :: 4.01	 	HB2 :: 2.03	 	HG2 :: 1.78	 	HE2 :: 3.12	
	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 :: 122.80	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.A22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.6   A 0.32   I 0.04   C 0.02   

	C Shift Assignments>> 	CA :: 55.30	 	CB :: 17.84	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.88	 	HA :: 4.21	 	HB1 :: 1.57	 	HB2 :: 1.57	 	HB3 :: 1.57	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.43	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.A23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.49   M 0.42   C 0.03   I 0.02   

	HN Overlap>>	 1.E10 1.E10

	C Shift Assignments>> 	CA :: 55.08	 	CB :: 18.70	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.78	 	HA :: 4.10	 	HB1 :: 1.79	 	HB2 :: 1.79	 	HB3 :: 1.79	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 119.10	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	I 0.53   F 0.15   Y 0.15   C 0.14   

	C Shift Assignments>> 	CA :: 62.44	 	CB :: 39.84	
	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 :: 8.63	 	HA :: 3.40	 	HB2 :: 3.15	 	HB3 :: 2.77	 	HD1 :: 7.15	 	HD2 :: 7.15	
			 	HE1 :: 6.54	 	HE2 :: 6.54	
	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 :: 120.74	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.D25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.24   Y 0.23   D 0.15   L 0.12   C 0.11   N 0.05   I 0.04   K 0.02   

	C Shift Assignments>> 	CA :: 56.69	 	CB :: 40.07	
	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 :: 8.67	 	HA :: 4.25	 	HB2 :: 2.77	 	HB3 :: 2.50	
	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 :: 116.90	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.I26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.81   C 0.18   

	C Shift Assignments>> 	CA :: 63.84	 	CB :: 37.52	 	CG1 :: 28.86	 	CG2 :: 17.44	 	CD1 :: 13.13	
	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 :: 7.28	 	HA :: 3.74	 	HB :: 1.99	 	HG12 :: 1.75	 	HG13 :: 1.21	 	HG21 :: 0.72	
			 	HG22 :: 0.72	 	HG23 :: 0.72	 	HD11 :: 0.81	 	HD12 :: 0.81	 	HD13 :: 0.81	
	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 :: 119.60	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.F27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.45   Y 0.34   C 0.19   

	C Shift Assignments>> 	CA :: 60.23	 	CB :: 39.92	 	CD1 :: 131.16	 	CD2 :: 131.16	
	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 :: 7.82	 	HA :: 4.08	 	HB2 :: 3.03	 	HB3 :: 2.71	 	HD1 :: 7.16	 	HD2 :: 7.16	
	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 :: 119.91	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.V28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.53   C 0.46   

	C Shift Assignments>> 	CA :: 61.52	 	CB :: 31.55	 	CG1 :: 21.79	 	CG2 :: 19.36	
	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 :: 7.47	 	HA :: 3.97	 	HB :: 1.89	 	HG11 :: 0.08	 	HG12 :: 0.08	 	HG13 :: 0.08	
			 	HG21 :: 0.58	 	HG22 :: 0.58	 	HG23 :: 0.58	
	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 :: 107.54	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	L 0.61   C 0.37   

	C Shift Assignments>> 	CA :: 57.31	 	CB :: 41.39	 	CG :: 26.61	 	CD1 :: 25.04	 	CD2 :: 24.38	
	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 :: 7.17	 	HA :: 4.07	 	HB2 :: 1.76	 	HB3 :: 1.58	 	HG :: 1.79	 	HD11 :: 0.94	
			 	HD12 :: 0.94	 	HD13 :: 0.94	 	HD21 :: 0.88	 	HD22 :: 0.88	 	HD23 :: 0.88	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 125.37	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.G30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.85   L 0.08   C 0.02   

	HN Overlap>>	 1.T38 1.T38

	C Shift Assignments>> 	CA :: 45.40	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.84	 	HA2 :: 4.07	 	HA3 :: 3.75	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 112.68	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	A 0.91   M 0.05   C 0.02   L 0.01   

	C Shift Assignments>> 	CA :: 52.14	 	CB :: 19.83	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.06	 	HA :: 4.44	 	HB1 :: 1.52	 	HB2 :: 1.52	 	HB3 :: 1.52	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 124.75	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.E32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   E 0.37   I 0.11   K 0.06   Q 0.03   M 0.03   

	C Shift Assignments>> 	CA :: 58.96	 	CB :: 29.82	 	CG :: 36.35	
	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 :: 9.20	 	HA :: 4.10	 	HB2 :: 2.06	 	HG2 :: 2.35	
	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 :: 125.55	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.D33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.37   L 0.2   N 0.17   K 0.07   F 0.06   C 0.05   Y 0.04   R 0.01   

	C Shift Assignments>> 	CA :: 52.91	 	CB :: 41.19	
	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 :: 8.15	 	HA :: 4.71	 	HB2 :: 3.02	 	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 :: 115.90	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	G 0.88   L 0.05   C 0.04   

	C Shift Assignments>> 	CA :: 46.64	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.60	 	HA2 :: 4.04	 	HA3 :: 3.87	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 106.20	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.C35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.2   R 0.18   M 0.17   K 0.17   E 0.13   Q 0.08   V 0.03   

	C Shift Assignments>> 	CA :: 57.44	 	CB :: 31.64	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.52	 	HA :: 5.04	 	HB2 :: 2.78	 	HB3 :: 2.50	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 114.60	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.I36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.7   C 0.29   

	C Shift Assignments>> 	CA :: 62.53	 	CB :: 39.60	 	CG1 :: 28.56	 	CG2 :: 17.92	 	CD1 :: 15.18	
	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 :: 8.96	 	HA :: 3.82	 	HB :: 1.94	 	HG12 :: 1.53	 	HG13 :: 0.33	 	HG21 :: 0.86	
			 	HG22 :: 0.86	 	HG23 :: 0.86	 	HD11 :: 0.53	 	HD12 :: 0.53	 	HD13 :: 0.53	
	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 :: 119.91	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	S 0.7   T 0.29   

	C Shift Assignments>> 	CA :: 57.22	 	CB :: 66.91	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 9.59	 	HA :: 5.10	 	HB2 :: 4.54	 	HB3 :: 4.21	
	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 :: 126.94	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.T38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.92   C 0.07   

	HN Overlap>>	 1.G30 1.G30

	C Shift Assignments>> 	CA :: 66.31	 	CB :: 67.92	 	CG2 :: 22.73	
	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 :: 8.84	 	HA :: 3.71	 	HB :: 4.21	 	HG21 :: 1.28	 	HG22 :: 1.28	 	HG23 :: 1.28	
	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 :: 112.61	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.K39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   K 0.43   R 0.03   

	C Shift Assignments>> 	CA :: 59.94	 	CB :: 32.22	 	CG :: 24.58	 	CE :: 41.94	
	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 :: 8.04	 	HA :: 4.05	 	HB2 :: 1.84	 	HB3 :: 1.72	 	HG2 :: 1.49	 	HG3 :: 1.31	
			 	HE2 :: 3.03	
	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 :: 123.20	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.E40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   Q 0.17   K 0.15   M 0.06   E 0.04   I 0.02   

	C Shift Assignments>> 	CA :: 60.69	 	CB :: 30.18	 	CG :: 33.61	
	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 :: 7.62	 	HA :: 4.16	 	HB2 :: 2.41	 	HG2 :: 2.54	
	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 :: 120.02	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.L41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.47   C 0.37   R 0.12   G 0.02   

	HN Overlap>>	 1.R46 1.R46

	C Shift Assignments>> 	CA :: 57.80	 	CB :: 42.59	 	CG :: 26.60	 	CD1 :: 26.50	 	CD2 :: 23.61	
	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 :: 8.16	 	HA :: 4.04	 	HB2 :: 1.59	 	HB3 :: 1.29	 	HG :: 1.44	 	HD11 :: 0.72	
			 	HD12 :: 0.72	 	HD13 :: 0.72	 	HD21 :: 0.65	 	HD22 :: 0.65	 	HD23 :: 0.65	
	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 :: 119.22	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.G42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.38   P 0.3   A 0.12   C 0.09   N 0.04   L 0.02   D 0.01   

	C Shift Assignments>> 	CA :: 48.15	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.48	 	HA2 :: 3.95	 	HA3 :: 3.54	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 106.20	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.K43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   K 0.32   R 0.08   V 0.03   P 0.02   Q 0.01   

	C Shift Assignments>> 	CA :: 59.95	 	CB :: 32.41	 	CG :: 25.26	
	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 :: 7.34	 	HA :: 4.00	 	HB2 :: 1.97	 	HG2 :: 1.41	
	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 :: 121.30	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	V 0.9   C 0.09   

	C Shift Assignments>> 	CA :: 66.32	 	CB :: 31.68	 	CG1 :: 21.14	 	CG2 :: 22.76	
	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 :: 7.61	 	HA :: 3.55	 	HB :: 1.91	 	HG11 :: 0.56	 	HG12 :: 0.56	 	HG13 :: 0.56	
			 	HG21 :: 0.54	 	HG22 :: 0.54	 	HG23 :: 0.54	
	Ave H Shift Values>> 	H :: 8.29(0.67) 	HA :: 4.19(0.58) 	HB :: 1.98(0.32) 	HG1 :: 0.83(0.26) 	HG2 :: 0.8(0.28)

	N Shift Assignments>> 	N :: 119.75	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.M45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.64   M 0.32   A 0.01   I 0.01   

	C Shift Assignments>> 	CA :: 58.42	 	CB :: 31.20	 	CG :: 33.51	 	CE :: 17.75	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 8.45	 	HA :: 4.16	 	HB2 :: 2.13	 	HB3 :: 1.69	 	HG2 :: 2.53	 	HE1 :: 1.88	
			 	HE2 :: 1.88	 	HE3 :: 1.88	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 116.46	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.R46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.51   R 0.33   G 0.1   K 0.04   

	HN Overlap>>	 1.L41 1.L41

	C Shift Assignments>> 	CA :: 59.34	 	CB :: 29.69	 	CG :: 28.59	 	CD :: 43.53	
	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 :: 8.15	 	HA :: 4.65	 	HB2 :: 1.96	 	HB3 :: 1.79	 	HG2 :: 1.90	 	HG3 :: 1.79	
			 	HD2 :: 3.31	 	HD3 :: 3.19	
	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 :: 119.22	
	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.M47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.55   M 0.43   

	C Shift Assignments>> 	CA :: 58.97	 	CB :: 32.69	 	CG :: 32.35	 	CE :: 17.43	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.93	 	HA :: 4.23	 	HB2 :: 2.40	 	HB3 :: 2.28	 	HG2 :: 2.78	 	HG3 :: 2.62	
			 	HE1 :: 2.01	 	HE2 :: 2.01	 	HE3 :: 2.01	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 122.60	
	Ave N Shift Values>> 	N :: 120.09(3.57)



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

	PRTL>>	L 0.66   C 0.24   A 0.05   R 0.03   

	C Shift Assignments>> 	CA :: 54.60	 	CB :: 41.81	 	CG :: 26.46	 	CD1 :: 26.19	 	CD2 :: 22.98	
	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 :: 7.50	 	HA :: 4.42	 	HB2 :: 1.94	 	HB3 :: 1.86	 	HG :: 1.93	 	HD11 :: 0.91	
			 	HD12 :: 0.91	 	HD13 :: 0.91	 	HD21 :: 0.85	 	HD22 :: 0.85	 	HD23 :: 0.85	
	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 :: 117.58	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.G49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.87   L 0.07   C 0.03   

	C Shift Assignments>> 	CA :: 45.79	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.87	 	HA2 :: 4.21	 	HA3 :: 3.82	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 107.57	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.Q50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.33   Q 0.28   C 0.23   K 0.09   E 0.03   

	C Shift Assignments>> 	CA :: 53.85	 	CB :: 30.83	 	CG :: 33.66	
	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 :: 8.09	 	HA :: 4.50	 	HB2 :: 2.20	 	HB3 :: 1.65	 	HG2 :: 2.20	 	HE21 :: 7.39	
			 	HE22 :: 6.79	
	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 :: 118.64	 	NE2 :: 113.03	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



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

	PRTL>>	N 0.59   D 0.21   C 0.07   L 0.04   F 0.03   Y 0.03   

	C Shift Assignments>> 	CA :: 51.16	 	CB :: 39.42	
	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 :: 8.66	 	HA :: 5.17	 	HB2 :: 2.77	 	HB3 :: 2.52	 	HD21 :: 7.52	 	HD22 :: 6.72	
	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 :: 117.09	 	ND2 :: 112.64	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	P 0.65   C 0.34   

	C Shift Assignments>> 	CA :: 62.33	 	CB :: 32.08	 	CG :: 27.82	 	CD :: 49.87	
	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>> 	HG2 :: 1.87	 	HD2 :: 3.64	 	HD3 :: 3.29	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.T53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.77   C 0.21   

	HN Overlap>>	 1.T13 1.T13

	C Shift Assignments>> 	CA :: 60.34	 	CB :: 68.25	 	CG2 :: 22.11	
	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 :: 8.85	 	HA :: 4.64	 	HB :: 4.80	 	HG21 :: 1.42	 	HG22 :: 1.42	 	HG23 :: 1.42	
	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 :: 114.00	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.P54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	P 0.86   C 0.13   

	C Shift Assignments>> 	CA :: 66.13	 	CB :: 31.80	 	CG :: 28.07	 	CD :: 50.36	
	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 :: 4.18	 	HB2 :: 2.46	 	HB3 :: 1.94	 	HG2 :: 2.26	 	HG3 :: 2.03	 	HD2 :: 3.94	
	Ave H Shift Values>> 	HA :: 4.4(0.33) 	HB2 :: 2.08(0.35) 	HB3 :: 2(0.36) 	HG2 :: 1.93(0.31) 	HG3 :: 1.9(0.33) 	HD2 :: 3.65(0.35)
			 	HD3 :: 3.61(0.39)



1.E55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.43   C 0.37   E 0.16   K 0.01   

	C Shift Assignments>> 	CA :: 60.64	 	CB :: 28.95	 	CG :: 37.23	
	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 :: 8.81	 	HA :: 4.04	 	HB2 :: 2.07	 	HB3 :: 1.95	 	HG2 :: 2.47	 	HG3 :: 2.32	
	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 :: 117.50	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.E56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.24   E 0.19   R 0.15   Q 0.12   K 0.1   I 0.06   M 0.04   V 0.04   

	C Shift Assignments>> 	CA :: 59.05	 	CB :: 30.01	
	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 :: 7.81	 	HA :: 4.01	 	HB2 :: 2.38	 	HB3 :: 1.88	
	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 :: 121.80	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.L57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.53   C 0.35   R 0.08   G 0.02   

	HN Overlap>>	 1.V9 1.V9

	C Shift Assignments>> 	CA :: 57.73	 	CB :: 42.66	 	CG :: 26.70	 	CD1 :: 25.72	 	CD2 :: 23.72	
	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 :: 8.14	 	HA :: 4.03	 	HB2 :: 2.07	 	HB3 :: 1.19	 	HG :: 1.74	 	HD11 :: 0.87	
			 	HD12 :: 0.87	 	HD13 :: 0.87	 	HD21 :: 0.75	 	HD22 :: 0.75	 	HD23 :: 0.75	
	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 :: 118.95	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.Q58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.3   K 0.26   Q 0.26   R 0.07   E 0.04   M 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 58.24	 	CB :: 28.53	 	CG :: 33.62	
	Ave C Shift Values>> 	C :: 176.31(1.95) 	CA :: 56.57(2.14) 	CB :: 29.19(1.82) 	CG :: 33.76(1.11) 	CD :: 179.69(1.29)

	H Shift Assignments>> 	H :: 7.99	 	HA :: 3.69	 	HB2 :: 2.17	 	HG2 :: 2.50	 	HG3 :: 2.40	 	HE21 :: 8.03	
			 	HE22 :: 6.70	
	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 :: 118.31	 	NE2 :: 115.53	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.E59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   E 0.33   I 0.15   K 0.07   Q 0.04   M 0.01   

	C Shift Assignments>> 	CA :: 59.60	 	CB :: 29.50	 	CG :: 36.09	
	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 :: 7.91	 	HA :: 4.07	 	HB2 :: 2.16	 	HB3 :: 2.08	 	HG2 :: 2.46	 	HG3 :: 2.29	
	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 :: 119.15	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.M60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.67   M 0.32   

	C Shift Assignments>> 	CA :: 59.49	 	CB :: 33.78	 	CG :: 33.27	 	CE :: 17.89	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.69	 	HA :: 4.06	 	HB2 :: 2.28	 	HB3 :: 1.95	 	HG2 :: 2.86	 	HG3 :: 2.49	
			 	HE1 :: 2.01	 	HE2 :: 2.01	 	HE3 :: 2.01	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 117.90	
	Ave N Shift Values>> 	N :: 120.09(3.57)



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

	PRTL>>	I 0.73   C 0.26   

	C Shift Assignments>> 	CA :: 63.66	 	CB :: 36.92	 	CG1 :: 28.59	 	CG2 :: 16.25	 	CD1 :: 11.73	
	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 :: 7.49	 	HA :: 3.54	 	HB :: 2.04	 	HG12 :: 1.50	 	HG13 :: 1.25	 	HG21 :: 0.77	
			 	HG22 :: 0.77	 	HG23 :: 0.77	 	HD11 :: 0.65	 	HD12 :: 0.65	 	HD13 :: 0.65	
	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 :: 118.27	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.D62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.28   Y 0.25   C 0.12   L 0.1   D 0.09   I 0.06   K 0.04   N 0.01   

	C Shift Assignments>> 	CA :: 57.58	 	CB :: 40.31	
	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 :: 8.73	 	HA :: 4.33	 	HB2 :: 2.79	 	HB3 :: 2.68	
	Ave H Shift Values>> 	H :: 8.31(0.58) 	HA :: 4.59(0.32) 	HB2 :: 2.72(0.26) 	HB3 :: 2.66(0.28) 	HD2 :: 5.25(0.58)

	N Shift Assignments>> 	N :: 119.80	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	C 0.38   E 0.38   M 0.07   I 0.06   K 0.04   Q 0.04   

	C Shift Assignments>> 	CA :: 58.69	 	CB :: 30.40	 	CG :: 36.13	
	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 :: 4.08	 	HB2 :: 2.17	 	HB3 :: 2.03	 	HG2 :: 2.44	 	HG3 :: 2.30	
	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 :: 116.25	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.V64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.57   C 0.42   

	C Shift Assignments>> 	CA :: 61.15	 	CB :: 32.88	 	CG1 :: 22.52	 	CG2 :: 21.18	
	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 :: 7.29	 	HA :: 4.33	 	HB :: 2.23	 	HG11 :: 0.81	 	HG12 :: 0.81	 	HG13 :: 0.81	
			 	HG21 :: 0.94	 	HG22 :: 0.94	 	HG23 :: 0.94	
	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 :: 111.65	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.D65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.35   L 0.19   N 0.18   F 0.08   Y 0.06   C 0.05   K 0.05   

	C Shift Assignments>> 	CA :: 53.51	 	CB :: 40.85	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 7.80	 	HA :: 4.55	 	HB2 :: 2.80	 	HB3 :: 2.44	
	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 :: 121.55	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.E66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   E 0.36   M 0.13   Q 0.05   I 0.02   K 0.02   

	C Shift Assignments>> 	CA :: 58.34	 	CB :: 30.96	 	CG :: 35.97	
	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 :: 8.27	 	HA :: 4.23	 	HB2 :: 2.20	 	HB3 :: 2.10	 	HG2 :: 2.43	 	HG3 :: 2.31	
	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 :: 128.20	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.D67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.34   N 0.33   L 0.12   F 0.06   C 0.06   Y 0.04   K 0.01   

	C Shift Assignments>> 	CA :: 52.62	 	CB :: 40.33	
	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 :: 8.05	 	HA :: 4.72	 	HB2 :: 3.14	 	HB3 :: 2.76	
	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 :: 115.18	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.G68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.86   C 0.06   L 0.04   

	C Shift Assignments>> 	CA :: 47.09	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.78	 	HA2 :: 3.92	 	HA3 :: 3.79	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 109.25	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.S69	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>> 	CA :: 60.21	 	CB :: 64.79	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.54	 	HA :: 4.23	 	HB2 :: 4.23	 	HB3 :: 4.04	
	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 :: 117.21	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.G70	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	G 0.86   L 0.08   C 0.02   

	C Shift Assignments>> 	CA :: 45.59	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 10.72(S)	 	HA2 :: 3.54	 	HA3 :: 4.27	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 116.24	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.T71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.88   T 0.09   A 0.01   

	C Shift Assignments>> 	CA :: 58.33	 	CB :: 73.75	 	CG2 :: 22.53	
	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 :: 7.63	 	HA :: 4.94	 	HB :: 3.83	 	HG21 :: 1.15	 	HG22 :: 1.15	 	HG23 :: 1.15	
	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 :: 107.53	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.V72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.53   C 0.45   

	C Shift Assignments>> 	CA :: 61.68	 	CB :: 34.02	 	CG1 :: 23.23	 	CG2 :: 21.68	
	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 :: 9.72	 	HA :: 5.06	 	HB :: 2.26	 	HG11 :: 0.98	 	HG12 :: 0.98	 	HG13 :: 0.98	
			 	HG21 :: 1.25	 	HG22 :: 1.25	 	HG23 :: 1.25	
	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 :: 127.10	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.D73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.32   L 0.27   K 0.09   R 0.08   N 0.08   C 0.04   F 0.04   Y 0.02   G 0.01   

	C Shift Assignments>> 	CA :: 52.38	 	CB :: 42.24	
	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 :: 8.92	 	HA :: 5.19	 	HB2 :: 3.32	 	HB3 :: 2.80	
	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 :: 129.50	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.F74	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.4   Y 0.37   C 0.21   

	C Shift Assignments>> 	CA :: 61.01	 	CB :: 38.38	 	CD1 :: 131.90	 	CD2 :: 131.90	 	CE1 :: 130.43	 	CE2 :: 130.43	
	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 :: 8.52	 	HA :: 3.35	 	HB2 :: 2.53	 	HB3 :: 2.28	 	HD1 :: 6.68	 	HD2 :: 6.68	
			 	HE1 :: 7.15	 	HE2 :: 7.15	
	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 :: 118.48	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.D75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.29   Y 0.26   C 0.12   L 0.09   I 0.08   D 0.07   K 0.05   

	C Shift Assignments>> 	CA :: 58.07	 	CB :: 40.41	
	Ave C Shift Values>> 	C :: 176.4(1.75) 	CA :: 54.69(2.03) 	CB :: 40.88(1.62) 	CG :: 179.17(1.79)

	H Shift Assignments>> 	H :: 7.70	 	HA :: 4.01	 	HB2 :: 2.73	 	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 :: 118.51	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.E76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.43   E 0.37   I 0.12   M 0.03   K 0.02   

	C Shift Assignments>> 	CA :: 58.45	 	CB :: 30.13	 	CG :: 37.13	
	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 :: 8.44	 	HA :: 3.98	 	HB2 :: 2.04	 	HG2 :: 2.93	 	HG3 :: 2.45	
	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 :: 120.61	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.F77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.47   Y 0.34   C 0.17   

	C Shift Assignments>> 	CA :: 61.08	 	CB :: 40.02	 	CD1 :: 131.43	 	CD2 :: 131.43	
	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 :: 8.82	 	HA :: 3.83	 	HB2 :: 3.30	 	HB3 :: 3.06	 	HD1 :: 6.92	 	HD2 :: 6.92	
			 	HE1 :: 7.27	 	HE2 :: 7.27	
	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 :: 123.30	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.L78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.54   C 0.43   R 0.01   

	HN Overlap>>	 1.I4 1.I4

	C Shift Assignments>> 	CA :: 58.05	 	CB :: 41.63	 	CG :: 25.91	 	CD1 :: 24.46	 	CD2 :: 25.72	
	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 :: 3.37	 	HB2 :: 1.61	 	HB3 :: 1.13	 	HG :: 1.05	 	HD11 :: 0.69	
			 	HD12 :: 0.69	 	HD13 :: 0.69	 	HD21 :: 0.58	 	HD22 :: 0.58	 	HD23 :: 0.58	
	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 :: 119.85	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.V79	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.87   C 0.12   

	C Shift Assignments>> 	CA :: 66.73	 	CB :: 31.32	 	CG1 :: 21.54	 	CG2 :: 23.61	
	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 :: 7.23	 	HA :: 3.25	 	HB :: 2.07	 	HG11 :: 0.68	 	HG12 :: 0.68	 	HG13 :: 0.68	
			 	HG21 :: 0.99	 	HG22 :: 0.99	 	HG23 :: 0.99	
	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 :: 117.97	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.M80	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.8   K 0.19   

	C Shift Assignments>> 	CA :: 59.18	 	CB :: 32.12	 	CG :: 31.12	 	CE :: 41.37(A)	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.53	 	HA :: 3.65	 	HB2 :: 1.85	 	HG2 :: 2.27	 	HG3 :: 2.00	 	HE1 :: 1.35	
			 	HE2 :: 1.35	 	HE3 :: 1.35	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 119.60	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.M81	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.47   C 0.43   A 0.08   

	C Shift Assignments>> 	CA :: 56.61	 	CB :: 31.39	 	CG :: 31.96	 	CE :: 17.80	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.95	 	HA :: 3.99	 	HB2 :: 1.46	 	HB3 :: 1.03	 	HG2 :: 1.27	 	HG3 :: 1.47	
			 	HE1 :: 2.01	 	HE2 :: 2.01	 	HE3 :: 2.01	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 117.64	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.V82	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.88   C 0.11   

	C Shift Assignments>> 	CA :: 65.98	 	CB :: 31.28	 	CG1 :: 21.94	 	CG2 :: 22.64	
	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 :: 8.08	 	HA :: 3.82	 	HB :: 2.17	 	HG11 :: 0.99	 	HG12 :: 0.99	 	HG13 :: 0.99	
			 	HG21 :: 1.08	 	HG22 :: 1.08	 	HG23 :: 1.08	
	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 :: 117.96	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.R83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.46   R 0.38   G 0.13   K 0.01   

	C Shift Assignments>> 	CA :: 59.50	 	CB :: 30.11	 	CG :: 27.48	 	CD :: 43.80	
	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 :: 8.01	 	HA :: 3.85	 	HB2 :: 1.76	 	HB3 :: 1.60	 	HG2 :: 1.48	 	HG3 :: 1.17	
			 	HD2 :: 2.82	 	HD3 :: 2.75	
	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 :: 120.55	
	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.C84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.45   C 0.2   P 0.19   R 0.05   K 0.02   E 0.02   Q 0.02   

	C Shift Assignments>> 	CA :: 61.47	 	CB :: 27.68	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.83	 	HA :: 4.33	 	HB2 :: 2.94	 	HB3 :: 2.90	
	Ave H Shift Values>> 	H :: 8.39(0.67) 	HA :: 4.66(0.55) 	HB2 :: 2.96(0.44) 	HB3 :: 2.89(0.46) 	HG :: 1.98(1.38)

	N Shift Assignments>> 	N :: 115.99	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.M85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	M 0.48   C 0.47   A 0.03   

	HN Overlap>>	 1.Q16 1.Q16

	C Shift Assignments>> 	CA :: 57.30	 	CB :: 33.63	 	CG :: 32.35	 	CE :: 17.43	
	Ave C Shift Values>> 	C :: 176.18(2.09) 	CA :: 56.11(2.23) 	CB :: 32.99(2.24) 	CG :: 32.01(1.24) 	CE :: 17.07(1.58)

	H Shift Assignments>> 	H :: 7.83	 	HA :: 4.34	 	HB2 :: 2.21	 	HG2 :: 2.81	 	HG3 :: 2.61	 	HE1 :: 2.12	
			 	HE2 :: 2.12	 	HE3 :: 2.12	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)

	N Shift Assignments>> 	N :: 119.57	
	Ave N Shift Values>> 	N :: 120.09(3.57)



1.K86	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.47   C 0.4   R 0.11   

	C Shift Assignments>> 	CA :: 56.56	 	CB :: 33.11	 	CG :: 24.57	 	CD :: 29.01	 	CE :: 42.07	
	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 :: 7.80	 	HA :: 4.33	 	HB2 :: 1.94	 	HB3 :: 1.87	 	HG2 :: 1.52	 	HD2 :: 1.71	
			 	HE2 :: 3.00	
	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 :: 120.45	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



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

	PRTL>>	D 0.29   L 0.24   K 0.14   F 0.09   N 0.07   Y 0.07   C 0.05   R 0.02   

	HN Overlap>>	 1.D88 1.D88

	C Shift Assignments>> 	CA :: 54.58	 	CB :: 41.39	
	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 :: 8.19	 	HA :: 4.66	 	HB2 :: 2.79	 	HB3 :: 2.69	
	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 :: 122.05	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.D88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.32   L 0.23   K 0.11   N 0.1   F 0.08   Y 0.06   C 0.05   R 0.02   

	HN Overlap>>	 1.D87 1.D87

	C Shift Assignments>> 	CA :: 54.02	 	CB :: 41.34	
	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 :: 8.24	 	HA :: 4.72	 	HB2 :: 2.69	
	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 :: 122.11	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S89	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>> 	CA :: 60.28	 	CB :: 64.84	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.89	 	HA :: 4.24	 	HB2 :: 3.88	
	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 :: 121.69	
	Ave N Shift Values>> 	N :: 116.28(3.52)



2.R1	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.00	 	HA :: 4.29	 	HB2 :: 1.62	 	HG2 :: 1.74	 	HG3 :: 1.80	
	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)



2.I2	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.19	 	HA :: 4.24	 	HB :: 1.86	 	HG12 :: 1.48	 	HD11 :: 0.91	 	HD12 :: 0.91	
			 	HD13 :: 0.91	
	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)



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


	H Shift Assignments>> 	H :: 8.28	 	HA :: 4.49	 	HB2 :: 4.07	 	HB3 :: 3.92	
	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)



2.A4	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.62	 	HA :: 4.19	 	HB1 :: 1.44	 	HB2 :: 1.44	 	HB3 :: 1.44	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



2.D5	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.29	 	HA :: 4.44	 	HB2 :: 2.66	
	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)



2.A6	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.03	 	HA :: 4.17	 	HB1 :: 1.48	 	HB2 :: 1.48	 	HB3 :: 1.48	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



2.M7	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.18	 	HA :: 4.24	 	HB2 :: 2.13	 	HG2 :: 2.64	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)



2.M8	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.19	 	HA :: 4.35	 	HB2 :: 2.13	 	HB3 :: 2.19	 	HG2 :: 2.68	
	Ave H Shift Values>> 	H :: 8.26(0.6) 	HA :: 4.41(0.48) 	HB2 :: 2.03(0.34) 	HB3 :: 1.99(0.34) 	HG2 :: 2.42(0.35) 	HG3 :: 2.39(0.38)
			 	HE :: 1.89(0.46)



2.Q9	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.21	 	HA :: 4.07	 	HB2 :: 2.11	 	HG2 :: 2.41	 	HG3 :: 2.46	
	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)



2.A10	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.94	 	HA :: 4.21	 	HB1 :: 1.49	 	HB2 :: 1.49	 	HB3 :: 1.49	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



2.L11	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.94	 	HA :: 4.21	 	HB2 :: 1.75	 	HB3 :: 1.82	 	HG :: 1.64	 	HD11 :: 0.92	
			 	HD12 :: 0.92	 	HD13 :: 0.92	 	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)



2.L12	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.09	 	HA :: 4.27	 	HB2 :: 1.76	 	HB3 :: 1.78	 	HG :: 1.57	 	HD11 :: 0.92	
			 	HD12 :: 0.92	 	HD13 :: 0.92	 	HD21 :: 0.84	 	HD22 :: 0.84	 	HD23 :: 0.84	
	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)



2.G13	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.07	 	HA2 :: 3.95	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



2.A14	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.08	 	HA :: 4.29	 	HB1 :: 1.43	 	HB2 :: 1.43	 	HB3 :: 1.43	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



2.R15	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	HD2 :: 3.21	
	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)



2.A16	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.07	 	HA :: 4.30	 	HB1 :: 1.42	 	HB2 :: 1.42	 	HB3 :: 1.42	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



2.K17	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




3.BEP1 Overall Status: Residue type BEP not supported.



4.CA1 Overall Status: Residue type CA not supported.





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

Overall Results:

	      #Consistent: 104      #Clerical:   0      #Suspicious:   1      #Anomalous:   0      #Mistyped:   1      #Indeterminable:   0


Typing Results:

	      #Consistent:  87      #Suspicious:   0      #Mistyped:   1      #Indeterminable:  18


Shift Relative Order (SRO) Results:

	      #Consistent: 106      #Suspicious:   0


C Shift Results:

	      #Consistent: 280      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


H Shift Results:

	      #Consistent: 635      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


N Shift Results:

	      #Consistent:  90      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.G70	H = 10.72(S),	 Expected =  8.33, Std = 0.6500, ChiSquare = 2.3606e-04
1.M80	Typing: Mistyped
1.M80	CE = 41.37(A),	 Expected = 17.07, Std = 1.5800, ChiSquare = 2.2382e-53