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


1.K1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.12   Q 0.12   R 0.11   L 0.1   K 0.1   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.06   S 0.03   N 0.02   A 0.01   

	C Shift Assignments>> 	CA :: 56.244	
	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 :: 8.460	 	HA :: 4.402	
	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 :: 123.932	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.C2	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.15   D 0.11   H 0.1   Q 0.1   R 0.09   K 0.08   C 0.06   E 0.06   F 0.05   N 0.04   Y 0.04   A 0.03   S 0.01   

	HN Overlap>>	 1.C12 1.C12

	C Shift Assignments>> 	C :: 173.057	 	CA :: 55.498	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.362	 	HA :: 4.749	
	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 :: 119.844	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.Y3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.12   K 0.11   R 0.1   H 0.09   Q 0.09   C 0.09   F 0.09   Y 0.09   S 0.05   L 0.05   D 0.02   I 0.01   

	C Shift Assignments>> 	C :: 174.754	 	CA :: 57.203	
	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 :: 8.411	 	HA :: 4.822	
	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 :: 121.158	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	F 0.11   E 0.11   Y 0.11   C 0.11   K 0.09   R 0.09   S 0.08   H 0.08   Q 0.07   L 0.04   I 0.01   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	C :: 174.092	 	CA :: 57.686	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.454	 	HA :: 4.747	
	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 :: 117.353	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Q5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.15   D 0.11   H 0.1   Q 0.1   R 0.09   K 0.08   C 0.06   E 0.06   F 0.05   N 0.04   Y 0.04   A 0.03   S 0.01   

	C Shift Assignments>> 	C :: 174.622	 	CA :: 55.495	
	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 :: 8.692	 	HA :: 4.509	
	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 :: 122.997	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.N6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.17   L 0.13   N 0.09   H 0.09   Q 0.08   R 0.07   A 0.07   K 0.06   C 0.05   E 0.04   F 0.04   Y 0.03   S 0.01   

	C Shift Assignments>> 	C :: 179.268	 	CA :: 54.868	
	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 :: 8.207	 	HA :: 4.512	
	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 :: 127.142	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	G 0.86   L 0.08   C 0.02   

	C Shift Assignments>> 	C :: 173.722	 	CA :: 45.483	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.186	 	HA2 :: 4.136	 	HA3 :: 3.682	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 107.092	
	Ave N Shift Values>> 	N :: 109.67(3.87)



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

	PRTL>>	D 0.19   L 0.13   N 0.1   H 0.08   A 0.08   Q 0.07   R 0.07   K 0.06   C 0.05   E 0.04   F 0.03   Y 0.03   S 0.01   

	C Shift Assignments>> 	C :: 176.624	 	CA :: 54.703	
	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 :: 7.846	 	HA :: 4.455	
	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 :: 121.550	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	V 0.28   T 0.26   I 0.21   S 0.11   C 0.05   F 0.02   Y 0.02   

	C Shift Assignments>> 	C :: 175.619	 	CA :: 62.524	
	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 :: 8.268	 	HA :: 4.055	
	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 :: 122.390	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.L10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.17   L 0.13   N 0.09   H 0.09   Q 0.08   R 0.07   A 0.07   K 0.06   C 0.05   E 0.04   F 0.04   Y 0.03   S 0.01   

	C Shift Assignments>> 	C :: 176.697	 	CA :: 54.869	
	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 :: 8.481	 	HA :: 4.404	
	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 :: 127.028	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.H11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.13   H 0.11   Q 0.11   R 0.1   K 0.09   D 0.08   E 0.07   C 0.06   F 0.05   Y 0.05   N 0.03   A 0.02   S 0.02   

	C Shift Assignments>> 	C :: 174.733	 	CA :: 55.839	
	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 :: 8.276	
	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 :: 117.757	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.C12	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.15   D 0.11   H 0.1   Q 0.1   R 0.09   K 0.08   C 0.06   E 0.06   F 0.05   N 0.04   Y 0.04   A 0.03   S 0.01   

	HN Overlap>>	 1.C2 1.C2

	C Shift Assignments>> 	C :: 173.529	 	CA :: 55.496	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.342	 	HA :: 4.747	
	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 :: 119.876	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.D13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.19   N 0.14   L 0.12   A 0.11   H 0.07   Q 0.06   R 0.06   K 0.05   C 0.05   E 0.03   F 0.03   Y 0.02   

	C Shift Assignments>> 	C :: 175.472	 	CA :: 54.398	
	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 :: 8.619	 	HA :: 4.669	
	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 :: 122.437	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.A14	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.35   N 0.27   D 0.12   L 0.06   C 0.03   H 0.03   R 0.02   Q 0.02   K 0.01   F 0.01   Y 0.01   

	C Shift Assignments>> 	C :: 177.140	 	CA :: 52.346	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.147	 	HA :: 4.402	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.832	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.N15	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent


	C Shift Assignments>> 	C :: 174.945	
	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 :: 8.322	 	HA :: 4.776	
	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 :: 118.046	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.F16	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.14   C 0.14   Y 0.12   F 0.12   I 0.07   E 0.06   K 0.05   V 0.05   T 0.05   R 0.05   H 0.04   Q 0.03   L 0.01   

	C Shift Assignments>> 	C :: 174.049	 	CA :: 59.346	
	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 :: 9.945	 	HA :: 4.294	
	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 :: 126.208	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.L17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.31   N 0.25   D 0.13   L 0.07   H 0.04   C 0.03   R 0.03   Q 0.03   K 0.02   F 0.01   Y 0.01   E 0.01   

	C Shift Assignments>> 	C :: 177.851	 	CA :: 53.033	
	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 :: 8.012	 	HA :: 4.776	
	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 :: 126.180	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.E18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.14   C 0.14   S 0.12   T 0.1   Y 0.1   F 0.1   V 0.1   E 0.04   K 0.03   R 0.03   H 0.02   Q 0.02   

	C Shift Assignments>> 	C :: 179.295	 	CA :: 60.156	
	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 :: 8.881	 	HA :: 3.416	
	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 :: 121.321	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	C 0.14   S 0.13   Y 0.13   F 0.13   E 0.08   K 0.07   R 0.06   H 0.05   Q 0.05   I 0.03   L 0.02   V 0.02   T 0.02   

	C Shift Assignments>> 	C :: 176.151	 	CA :: 58.459	
	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 :: 8.182	 	HA :: 4.323	
	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 :: 114.584	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.E20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.12   Q 0.12   R 0.11   K 0.1   L 0.09   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.05   S 0.03   N 0.01   A 0.01   

	C Shift Assignments>> 	C :: 178.929	 	CA :: 56.413	
	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 :: 7.222	 	HA :: 2.955	
	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 :: 118.612	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	C 0.14   Y 0.13   F 0.13   S 0.12   E 0.08   K 0.07   R 0.07   H 0.06   Q 0.05   I 0.03   L 0.02   V 0.02   T 0.01   D 0.01   

	C Shift Assignments>> 	C :: 179.533	 	CA :: 58.380	
	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 :: 7.462	 	HA :: 4.053	
	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 :: 120.465	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	I 0.23   T 0.18   V 0.17   C 0.11   S 0.07   F 0.07   Y 0.07   E 0.02   R 0.01   K 0.01   H 0.01   Q 0.01   

	C Shift Assignments>> 	C :: 176.488	 	CA :: 61.018	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.383	 	HA :: 4.348	
	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 :: 111.699	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Y23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.12   Q 0.12   R 0.11   K 0.1   L 0.09   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.05   S 0.03   N 0.01   A 0.01   

	C Shift Assignments>> 	C :: 178.668	 	CA :: 56.429	
	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 :: 7.219	 	HA :: 4.591	
	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 :: 119.758	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.I24	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.38   T 0.23   S 0.17   I 0.16   C 0.03   

	C Shift Assignments>> 	C :: 177.171	 	CA :: 66.432	
	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 :: 7.709	 	HA :: 3.362	
	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 :: 119.348	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	F 0.12   Y 0.12   C 0.11   E 0.1   K 0.09   S 0.09   R 0.08   H 0.07   Q 0.07   L 0.03   I 0.02   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	C :: 178.860	 	CA :: 57.854	
	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 :: 7.155	 	HA :: 4.345	
	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 :: 115.826	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.V26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.35   T 0.23   S 0.2   I 0.16   C 0.03   

	C Shift Assignments>> 	C :: 178.086	 	CA :: 66.112	
	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 :: 7.289	 	HA :: 3.842	
	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 :: 118.810	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	F 0.13   Y 0.12   C 0.12   E 0.1   S 0.09   K 0.08   R 0.08   H 0.07   Q 0.06   L 0.03   I 0.02   V 0.01   D 0.01   T 0.01   

	C Shift Assignments>> 	CA :: 57.992	
	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 :: 7.815	 	HA :: 3.842	
	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 :: 116.773	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.L28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.19   L 0.13   N 0.11   A 0.09   H 0.08   Q 0.07   R 0.07   K 0.05   C 0.05   E 0.04   F 0.03   Y 0.03   

	C Shift Assignments>> 	CA :: 54.645	
	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 :: 7.642	 	HA :: 4.319	
	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 :: 116.830	
	Ave N Shift Values>> 	N :: 121.86(3.9)



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

	PRTL>>	N 0.21   A 0.17   D 0.17   L 0.1   H 0.06   R 0.05   Q 0.05   C 0.04   K 0.04   F 0.02   E 0.02   Y 0.02   

	C Shift Assignments>> 	CA :: 53.891	
	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 :: 7.601	 	HA :: 4.614	
	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 :: 122.304	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.K30	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.15   C 0.14   Y 0.12   F 0.12   E 0.07   K 0.06   R 0.06   H 0.05   Q 0.04   I 0.04   V 0.02   T 0.02   L 0.02   

	C Shift Assignments>> 	CA :: 58.725	
	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 :: 9.130	 	HA :: 4.095	
	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 :: 130.166	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N31	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.31   N 0.25   D 0.13   L 0.07   H 0.04   C 0.03   R 0.03   Q 0.03   K 0.02   F 0.01   Y 0.01   E 0.01   

	C Shift Assignments>> 	CA :: 53.014	
	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 :: 8.783	 	HA :: 4.749	
	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 :: 115.500	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	A 0.36   N 0.27   D 0.12   L 0.06   C 0.03   H 0.03   R 0.02   Q 0.02   K 0.01   F 0.01   Y 0.01   

	C Shift Assignments>> 	CA :: 52.203	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.183	 	HA :: 4.346	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 123.527	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	D 0.18   N 0.16   A 0.13   L 0.11   H 0.07   Q 0.06   R 0.06   C 0.05   K 0.05   E 0.03   F 0.03   Y 0.02   

	C Shift Assignments>> 	CA :: 54.252	
	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 :: 8.474	 	HA :: 4.457	
	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 :: 120.635	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.Q34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.15   C 0.14   Y 0.12   F 0.12   E 0.07   K 0.06   R 0.05   I 0.05   H 0.04   Q 0.04   V 0.03   T 0.03   L 0.01   

	C Shift Assignments>> 	CA :: 58.998	
	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 :: 8.820	 	HA :: 3.736	
	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 :: 124.454	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.A35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.15   D 0.11   H 0.1   Q 0.1   R 0.09   K 0.08   C 0.06   E 0.06   F 0.05   N 0.04   Y 0.04   A 0.03   S 0.01   

	C Shift Assignments>> 	CA :: 55.498	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.498	 	HA :: 4.189	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.883	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	V 0.39   T 0.24   I 0.16   S 0.15   C 0.03   

	C Shift Assignments>> 	CA :: 66.575	
	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 :: 7.787	 	HA :: 3.865	
	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 :: 116.351	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.K37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.27   T 0.22   V 0.2   C 0.09   F 0.04   Y 0.04   S 0.04   E 0.01   R 0.01   K 0.01   

	C Shift Assignments>> 	CA :: 61.554	
	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 :: 7.813	 	HA :: 3.736	
	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 :: 120.692	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.D38	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.12   Y 0.11   C 0.11   E 0.11   K 0.09   R 0.08   S 0.08   H 0.07   Q 0.07   L 0.04   I 0.02   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	CA :: 57.769	
	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 :: 9.013	 	HA :: 4.361	
	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 :: 119.984	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.N39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.12   Q 0.12   R 0.11   K 0.1   L 0.09   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.05   S 0.03   N 0.01   A 0.01   

	C Shift Assignments>> 	CA :: 56.392	
	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 :: 7.993	 	HA :: 4.508	
	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 :: 119.659	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



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

	PRTL>>	E 0.12   K 0.11   R 0.1   Q 0.09   H 0.09   C 0.09   F 0.09   Y 0.09   S 0.05   L 0.05   D 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 57.197	
	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 :: 8.056	 	HA :: 4.046	
	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 :: 121.512	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.R41	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.14   S 0.13   Y 0.11   F 0.11   I 0.1   T 0.07   V 0.07   E 0.05   K 0.04   R 0.04   H 0.03   Q 0.03   L 0.01   

	C Shift Assignments>> 	CA :: 59.722	
	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 :: 9.024	 	HA :: 4.164	
	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 :: 120.479	
	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.S42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.27   T 0.24   V 0.22   C 0.08   F 0.04   Y 0.04   S 0.04   E 0.01   

	C Shift Assignments>> 	CA :: 61.723	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.079	 	HA :: 4.297	
	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 :: 116.872	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.Y43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.25   T 0.2   V 0.19   C 0.1   S 0.05   F 0.05   Y 0.05   E 0.01   R 0.01   K 0.01   H 0.01   

	C Shift Assignments>> 	CA :: 61.316	
	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 :: 7.908	 	HA :: 4.054	
	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 :: 123.464	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.F44	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.27   T 0.27   I 0.22   S 0.09   C 0.06   F 0.02   Y 0.02   

	C Shift Assignments>> 	CA :: 62.364	
	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 :: 8.279	 	HA :: 4.219	
	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 :: 116.929	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	L 0.15   D 0.11   H 0.1   Q 0.1   R 0.09   K 0.08   C 0.06   E 0.06   F 0.05   N 0.04   Y 0.04   A 0.03   S 0.01   

	C Shift Assignments>> 	CA :: 55.480	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.599	 	HA :: 3.520	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 126.265	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.D46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.12   Q 0.11   H 0.11   K 0.11   E 0.09   C 0.08   L 0.07   F 0.07   Y 0.07   S 0.04   D 0.04   N 0.01   

	C Shift Assignments>> 	CA :: 56.712	
	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 :: 7.943	 	HA :: 4.443	
	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 :: 120.168	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.K47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.14   H 0.11   Q 0.1   R 0.1   K 0.09   D 0.09   E 0.07   C 0.06   F 0.05   Y 0.05   N 0.03   A 0.02   S 0.02   

	C Shift Assignments>> 	CA :: 55.776	
	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 :: 7.212	 	HA :: 4.404	
	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 :: 116.578	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.G48	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.84   L 0.09   C 0.02   R 0.01   

	C Shift Assignments>> 	CA :: 45.333	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.867	 	HA2 :: 4.159	 	HA3 :: 3.660	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 106.918	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.L49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.31   N 0.25   D 0.13   L 0.07   H 0.04   C 0.03   R 0.03   Q 0.03   K 0.02   F 0.01   Y 0.01   E 0.01   

	C Shift Assignments>> 	CA :: 52.988	
	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 :: 7.783	 	HA :: 4.627	
	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 :: 121.272	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.H50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.13   F 0.13   C 0.13   S 0.1   E 0.09   K 0.08   R 0.07   H 0.06   Q 0.06   L 0.03   I 0.02   V 0.01   T 0.01   D 0.01   

	C Shift Assignments>> 	CA :: 58.149	
	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 :: 8.976	 	HA :: 4.455	
	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 :: 121.130	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



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

	PRTL>>	H 0.12   Q 0.12   R 0.11   K 0.1   L 0.09   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.05   S 0.03   N 0.01   A 0.01   

	C Shift Assignments>> 	CA :: 56.408	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.731	 	HA :: 4.829	
	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 :: 112.359	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.I52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.31   V 0.24   T 0.2   I 0.16   C 0.03   F 0.01   Y 0.01   

	C Shift Assignments>> 	CA :: 63.611	
	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 :: 8.970	 	HA :: 3.762	
	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 :: 122.531	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	C 0.14   S 0.14   Y 0.11   F 0.11   I 0.09   V 0.06   T 0.06   E 0.05   K 0.04   R 0.04   H 0.03   Q 0.03   L 0.01   

	C Shift Assignments>> 	CA :: 59.557	
	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 :: 8.159	 	HA :: 3.864	
	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 :: 120.053	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.D54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.12   K 0.11   R 0.1   H 0.09   Q 0.09   C 0.09   F 0.09   Y 0.09   S 0.05   L 0.05   D 0.02   I 0.01   

	C Shift Assignments>> 	CA :: 57.208	
	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 :: 7.752	 	HA :: 4.373	
	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 :: 118.669	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.I55	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.35   T 0.23   S 0.21   I 0.16   C 0.03   

	C Shift Assignments>> 	CA :: 66.025	
	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 :: 7.861	 	HA :: 3.414	
	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 :: 122.233	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.I56	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Consistent


	H Shift Assignments>> 	H :: 8.053	 	HA :: 3.178	
	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 :: 118.188	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.N57	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.12   H 0.11   Q 0.11   R 0.1   K 0.09   D 0.07   E 0.07   C 0.07   F 0.06   Y 0.05   N 0.02   S 0.02   A 0.02   

	C Shift Assignments>> 	CA :: 55.982	
	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 :: 8.318	 	HA :: 4.404	
	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 :: 116.066	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.K58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.12   Y 0.12   C 0.11   E 0.1   K 0.09   S 0.09   R 0.08   H 0.07   Q 0.07   L 0.03   I 0.02   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	CA :: 57.849	
	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 :: 7.921	 	HA :: 4.135	
	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 :: 122.644	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.A59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.14   H 0.11   Q 0.1   R 0.1   K 0.09   D 0.08   E 0.07   C 0.06   F 0.05   Y 0.05   N 0.03   A 0.02   S 0.02   

	C Shift Assignments>> 	CA :: 55.798	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.440	 	HA :: 3.361	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 121.314	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.K60	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.15   C 0.14   Y 0.12   F 0.12   E 0.07   I 0.06   K 0.05   R 0.05   H 0.04   Q 0.04   V 0.04   T 0.04   L 0.01   

	C Shift Assignments>> 	CA :: 59.076	
	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 :: 8.155	 	HA :: 4.269	
	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 :: 117.594	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.Q61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.15   C 0.14   Y 0.12   F 0.12   E 0.07   K 0.06   R 0.06   H 0.05   Q 0.04   I 0.04   V 0.02   T 0.02   L 0.02   

	C Shift Assignments>> 	C :: 177.776	 	CA :: 58.720	
	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 :: 8.558	 	HA :: 4.028	
	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 :: 122.177	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



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

	PRTL>>	D 0.17   L 0.13   N 0.09   H 0.09   Q 0.08   R 0.07   A 0.07   K 0.06   C 0.05   E 0.04   F 0.04   Y 0.03   S 0.01   

	C Shift Assignments>> 	CA :: 54.869	
	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 :: 8.090	 	HA :: 4.828	
	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 :: 118.541	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.G63	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 :: 45.807	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.718	 	HA2 :: 4.027	 	HA3 :: 3.656	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 105.748	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.F64	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.14   Y 0.13   S 0.13   F 0.13   E 0.08   K 0.07   R 0.06   H 0.05   Q 0.05   I 0.03   L 0.02   V 0.02   T 0.02   

	C Shift Assignments>> 	CA :: 58.446	
	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 :: 8.135	 	HA :: 4.505	
	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 :: 119.799	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	N 0.2   D 0.17   A 0.16   L 0.1   H 0.06   R 0.05   Q 0.05   C 0.04   K 0.04   F 0.02   E 0.02   Y 0.02   

	C Shift Assignments>> 	CA :: 53.962	
	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 :: 8.850	 	HA :: 4.678	
	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 :: 120.805	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.V66	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.14   S 0.13   Y 0.11   F 0.11   I 0.1   T 0.07   V 0.07   E 0.05   K 0.04   R 0.04   H 0.03   Q 0.03   L 0.01   

	C Shift Assignments>> 	C :: 177.225	 	CA :: 59.723	
	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 :: 8.545	 	HA :: 4.674	
	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 :: 119.096	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.S67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.3   T 0.29   I 0.23   C 0.06   F 0.02   Y 0.02   S 0.02   

	C Shift Assignments>> 	C :: 176.893	 	CA :: 62.401	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.616	 	HA :: 4.108	
	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 :: 121.366	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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

	PRTL>>	F 0.12   Y 0.12   C 0.11   E 0.1   K 0.09   S 0.08   R 0.08   H 0.07   Q 0.07   L 0.03   I 0.02   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	C :: 176.645	 	CA :: 57.840	
	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 :: 8.244	 	HA :: 4.057	
	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 :: 120.182	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.Y69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	H 0.12   Q 0.12   R 0.11   K 0.1   L 0.1   E 0.08   C 0.07   F 0.06   Y 0.06   D 0.05   S 0.03   N 0.01   A 0.01   

	C Shift Assignments>> 	C :: 176.319	 	CA :: 56.307	
	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 :: 7.538	 	HA :: 4.675	
	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 :: 117.146	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.E70	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.12   Y 0.12   C 0.12   E 0.1   K 0.09   S 0.09   R 0.08   H 0.07   Q 0.07   L 0.03   I 0.02   D 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	C :: 176.052	 	CA :: 57.858	
	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 :: 7.439	 	HA :: 4.113	
	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 :: 119.102	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.H71	Overall: Mistyped 	Typing: Mistyped 	SRO: Consistent 	C Shifts: Anomalous 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.33   R 0.16   K 0.16   D 0.11   F 0.08   Y 0.05   C 0.03   I 0.02   G 0.01   

	C Shift Assignments>> 	C :: 176.053	 	CA :: 42.505(A)	
	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 :: 7.431	 	HA :: 4.680	
	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 :: 118.042	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



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

	PRTL>>	V 0.28   T 0.25   I 0.2   S 0.16   C 0.05   F 0.01   Y 0.01   

	C Shift Assignments>> 	CA :: 62.844	
	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 :: 7.679	 	HA :: 3.999	
	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 :: 121.639	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.K73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.11   F 0.11   Y 0.11   C 0.11   K 0.09   R 0.09   H 0.08   Q 0.08   S 0.07   L 0.04   D 0.01   I 0.01   V 0.01   T 0.01   

	C Shift Assignments>> 	C :: 181.110	 	CA :: 57.638	
	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 :: 7.895	 	HA :: 4.162	
	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 :: 130.493	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)





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

Overall Results:

	      #Consistent:  72      #Clerical:   0      #Suspicious:   0      #Anomalous:   0      #Mistyped:   1      #Indeterminable:   0


Typing Results:

	      #Consistent:  70      #Suspicious:   0      #Mistyped:   1      #Indeterminable:   2


Shift Relative Order (SRO) Results:

	      #Consistent:  73      #Suspicious:   0


C Shift Results:

	      #Consistent: 103      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   1


H Shift Results:

	      #Consistent: 148      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


N Shift Results:

	      #Consistent:  73      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.H71	Typing: Mistyped
1.H71	CA = 42.505(A),	 Expected = 56.52, Std = 2.3100, ChiSquare = 1.3024e-09