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


1.V1	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.44   P 0.27   C 0.19   W 0.02   K 0.01   

	C Shift Assignments>> 	C :: 175.862	 	CA :: 62.562	 	CB :: 32.877	
	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 :: 8.126	 	HA :: 4.070	 	HB :: 2.071	 	HG11 :: 0.923	 	HG12 :: 0.923	 	HG13 :: 0.923	
			 	HG21 :: 0.923	 	HG22 :: 0.923	 	HG23 :: 0.923	
	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 :: 120.111	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	E 0.47   C 0.45   Q 0.04   K 0.01   I 0.01   

	HN Overlap>>	 1.A76 1.A76

	C Shift Assignments>> 	C :: 176.071	 	CA :: 56.042	 	CB :: 31.249	 	CG :: 36.362	
	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 :: 8.490	 	HA :: 4.670	 	HB2 :: 2.006	 	HB3 :: 1.868	 	HG2 :: 2.251	 	HG3 :: 2.251	
	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 :: 126.106	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.R3	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.37   K 0.32   R 0.26   G 0.02   

	C Shift Assignments>> 	C :: 173.022	 	CA :: 55.642	 	CB :: 33.590	 	CG :: 27.910	 	CD :: 42.767	
	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 :: 8.188	 	HA :: 4.455	 	HB2 :: 1.375	 	HB3 :: 1.090	 	HG2 :: 1.097	
	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 :: 121.101	
	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.C4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.18   R 0.18   H 0.18   K 0.16   W 0.11   E 0.08   Q 0.07   

	HN Overlap>>	 1.C42 1.C42

	C Shift Assignments>> 	C :: 173.580	 	CA :: 54.510	 	CB :: 31.823	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.476	 	HA :: 5.838	 	HB2 :: 2.968	 	HB3 :: 2.604	
	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 :: 119.927	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.G5	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 :: 170.256	 	CA :: 45.593	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 8.119	 	HA2 :: 4.276	 	HA3 :: 4.276	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 108.641	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.V6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.66   C 0.33   

	C Shift Assignments>> 	C :: 177.955	 	CA :: 62.380	 	CB :: 32.750	 	CG1 :: 22.709	 	CG2 :: 21.142	
	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 :: 8.560	 	HA :: 4.928	 	HB :: 2.029	 	HG11 :: 0.921	 	HG12 :: 0.921	 	HG13 :: 0.921	
			 	HG21 :: 0.921	 	HG22 :: 0.921	 	HG23 :: 0.921	
	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 :: 119.786	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.L7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.42   L 0.23   G 0.22   A 0.11   

	C Shift Assignments>> 	C :: 174.734	 	CA :: 53.506	 	CB :: 47.419	 	CG :: 26.880	 	CD1 :: 25.053	 	CD2 :: 23.300	
	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 :: 8.894	 	HA :: 4.545	 	HB2 :: 1.364	 	HB3 :: 1.364	 	HG :: 1.146	 	HD11 :: 0.960	
			 	HD12 :: 0.960	 	HD13 :: 0.960	 	HD21 :: 0.909	 	HD22 :: 0.909	 	HD23 :: 0.909	
	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 :: 128.350	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S8	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.681	 	CA :: 57.686	 	CB :: 63.608	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.068	 	HA :: 4.909	 	HB2 :: 3.735	 	HB3 :: 3.735	
	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 :: 114.900	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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

	PRTL>>	C 0.67   K 0.24   R 0.06   A 0.01   

	C Shift Assignments>> 	C :: 175.556	 	CA :: 54.018	 	CB :: 37.295	 	CG :: 24.840	 	CD :: 28.585	 	CE :: 41.449	
	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 :: 9.430	 	HA :: 5.525	 	HB2 :: 1.359	 	HG2 :: 0.816	 	HG3 :: 0.816	
	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 :: 128.766	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.W10	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.54   C 0.45   

	C Shift Assignments>> 	C :: 176.223	 	CA :: 58.895	 	CB :: 28.816	 	CZ2 :: 113.865	 	CZ3 :: 121.928	 	CH2 :: 124.445	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 7.941	 	HA :: 3.463	 	HB2 :: 2.487	 	HB3 :: 2.487	 	HD1 :: 6.906	 	HE1 :: 9.877	
			 	HE3 :: 6.908	 	HZ2 :: 6.416	 	HZ3 :: 6.719	 	HH2 :: 6.687	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 131.192	 	NE1 :: 129.777	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.T11	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.92   C 0.07   

	C Shift Assignments>> 	CA :: 62.702	 	CB :: 69.108	 	CG2 :: 21.513	
	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 :: 7.545	 	HB :: 3.694	 	HG21 :: 0.927	 	HG22 :: 0.927	 	HG23 :: 0.927	
	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 :: 124.040	
	Ave N Shift Values>> 	N :: 115.42(4.75)



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


	H Shift Assignments>> 	HD21 :: 6.837	 	HD22 :: 7.573	
	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>> 	ND2 :: 114.345	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.Y13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Y 0.99   

	C Shift Assignments>> 	CB :: 37.993	 	CE1 :: 118.974	 	CE2 :: 118.974	
	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>> 	HB2 :: 3.111	 	HB3 :: 3.111	 	HD1 :: 7.266	 	HD2 :: 7.266	 	HE1 :: 6.870	 	HE2 :: 6.870	
	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)



1.I14	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable


	C Shift Assignments>> 	C :: 177.177	
	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)



1.H15	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Consistent


	H Shift Assignments>> 	H :: 7.667	 	HD2 :: 8.102	
	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 :: 117.279	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



1.G16	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Indeterminable 	N Shifts: Indeterminable


	C Shift Assignments>> 	C :: 174.338	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)



1.W17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.47   C 0.4   H 0.12   

	C Shift Assignments>> 	C :: 176.403	 	CA :: 57.542	 	CB :: 28.749	 	CZ2 :: 114.242	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 8.538	 	HA :: 4.349	 	HB2 :: 3.234	 	HB3 :: 2.962	 	HD1 :: 7.493	 	HE1 :: 10.167	
			 	HE3 :: 7.453	 	HZ2 :: 7.023	 	HZ3 :: 7.079	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 126.880	 	NE1 :: 130.428	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.Q18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.79   Q 0.15   E 0.04   

	C Shift Assignments>> 	C :: 175.221	 	CA :: 54.257	 	CB :: 33.352	 	CG :: 33.940	
	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 :: 8.541	 	HA :: 4.684	 	HB2 :: 1.978	 	HB3 :: 1.607	 	HG2 :: 2.111	 	HG3 :: 2.111	
			 	HE21 :: 6.811	 	HE22 :: 7.719	
	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 :: 121.908	 	NE2 :: 114.207	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.D19	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.25   L 0.17   F 0.17   Y 0.14   N 0.1   C 0.08   K 0.04   I 0.01   

	C Shift Assignments>> 	C :: 176.887	 	CA :: 55.475	 	CB :: 40.385	
	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 :: 8.834	 	HA :: 4.839	 	HB2 :: 2.637	 	HB3 :: 2.476	
	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 :: 124.316	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.R20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.39   G 0.29   R 0.23   K 0.06   

	C Shift Assignments>> 	C :: 173.072	 	CA :: 52.759	 	CB :: 34.146	 	CG :: 27.550	 	CD :: 43.554	
	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 :: 9.297	 	HA :: 4.858	 	HB2 :: 2.015	 	HB3 :: 1.404	 	HG2 :: 1.633	 	HG3 :: 1.139	
			 	HD2 :: 3.782	 	HD3 :: 2.927	
	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 :: 123.198	
	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.W21	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.5   C 0.49   

	C Shift Assignments>> 	C :: 174.590	 	CA :: 56.402	 	CB :: 31.041	 	CE3 :: 120.433	 	CZ2 :: 115.087	 	CZ3 :: 121.999	
			 	CH2 :: 125.131	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 8.164	 	HA :: 4.968	 	HB2 :: 2.923	 	HB3 :: 2.856	 	HD1 :: 6.474	 	HE1 :: 10.191	
			 	HE3 :: 7.502	 	HZ2 :: 7.484	 	HZ3 :: 7.152	 	HH2 :: 7.166	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 121.975	 	NE1 :: 128.351	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.V22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.59   C 0.4   

	C Shift Assignments>> 	C :: 173.777	 	CA :: 61.366	 	CB :: 33.100	 	CG1 :: 22.334	 	CG2 :: 21.707	
	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 :: 8.795	 	HA :: 5.021	 	HB :: 1.692	 	HG11 :: 0.758	 	HG12 :: 0.758	 	HG13 :: 0.758	
			 	HG21 :: 0.645	 	HG22 :: 0.645	 	HG23 :: 0.645	
	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 :: 129.261	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.V23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.54   V 0.45   

	HN Overlap>>	 1.N68 1.N68

	C Shift Assignments>> 	C :: 174.506	 	CA :: 61.698	 	CB :: 36.190	 	CG1 :: 21.769	 	CG2 :: 21.857	
	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 :: 8.997	 	HA :: 4.575	 	HB :: 2.150	 	HG11 :: 1.032	 	HG12 :: 1.032	 	HG13 :: 1.032	
			 	HG21 :: 1.006	 	HG22 :: 1.006	 	HG23 :: 1.006	
	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 :: 123.820	
	Ave N Shift Values>> 	N :: 121.14(4.54)



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

	PRTL>>	G 0.47   L 0.29   C 0.21   R 0.01   

	C Shift Assignments>> 	C :: 174.084	 	CA :: 53.689	 	CB :: 44.557	 	CD1 :: 27.019	 	CD2 :: 24.691	
	Ave C Shift Values>> 	C :: 176.99(1.98) 	CA :: 55.62(2.13) 	CB :: 42.31(1.88) 	CG :: 26.78(1.1) 	CD1 :: 24.72(1.59) 	CD2 :: 24.05(1.7)

	H Shift Assignments>> 	H :: 9.414	 	HA :: 5.218	 	HB2 :: 2.105	 	HB3 :: 1.228	 	HD11 :: 0.596	 	HD12 :: 0.596	
			 	HD13 :: 0.596	 	HD21 :: 0.596	 	HD22 :: 0.596	 	HD23 :: 0.596	
	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 :: 132.151	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.K25	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.49   K 0.4   R 0.08   

	C Shift Assignments>> 	C :: 175.371	 	CA :: 56.680	 	CB :: 35.569	 	CG :: 24.534	 	CD :: 29.830	 	CE :: 42.029	
	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 :: 8.439	 	HA :: 4.503	 	HB2 :: 1.829	 	HB3 :: 1.829	 	HG2 :: 1.323	 	HG3 :: 1.323	
			 	HD2 :: 1.594	 	HD3 :: 1.594	 	HE2 :: 2.920	 	HE3 :: 2.920	
	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 :: 123.729	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.N26	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.31   C 0.21   E 0.14   Y 0.13   F 0.1   D 0.04   I 0.01   L 0.01   K 0.01   

	HN Overlap>>	 1.K33 1.K33

	C Shift Assignments>> 	CA :: 54.713	 	CB :: 37.347	
	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 :: 9.810	 	HA :: 4.483	 	HB2 :: 3.030	 	HB3 :: 2.804	 	HD21 :: 6.995	 	HD22 :: 7.684	
	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 :: 122.863	 	ND2 :: 112.596	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.N27	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.39   D 0.19   Y 0.11   F 0.11   C 0.1   L 0.06   

	C Shift Assignments>> 	C :: 173.896	 	CA :: 54.115	 	CB :: 38.910	
	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>> 	HD21 :: 6.735	 	HD22 :: 7.405	
	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>> 	ND2 :: 109.755	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.A28	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.59   L 0.28   C 0.1   

	C Shift Assignments>> 	C :: 175.051	 	CA :: 51.351	 	CB :: 22.169	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.971	 	HA :: 5.164	 	HB1 :: 1.278	 	HB2 :: 1.278	 	HB3 :: 1.278	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.531	
	Ave N Shift Values>> 	N :: 123.23(3.54)



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

	PRTL>>	G 0.58   C 0.23   L 0.17   

	C Shift Assignments>> 	C :: 175.408	 	CA :: 52.935	 	CB :: 46.318	 	CG :: 27.203	 	CD1 :: 25.876	 	CD2 :: 26.121	
	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 :: 8.381	 	HA :: 5.423	 	HB2 :: 1.706	 	HB3 :: 1.102	 	HG :: 1.581	 	HD11 :: 0.929	
			 	HD12 :: 0.929	 	HD13 :: 0.929	 	HD21 :: 0.821	 	HD22 :: 0.821	 	HD23 :: 0.821	
	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 :: 121.846	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S30	Overall: Suspicious 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Suspicious 	N Shifts: Consistent

	PRTL>>	S 0.82   T 0.17   

	C Shift Assignments>> 	C :: 172.344	 	CA :: 57.183	 	CB :: 66.645	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 9.161	 	HA :: 5.828(S)	 	HB2 :: 3.888	 	HB3 :: 3.813	
	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 :: 119.067	
	Ave N Shift Values>> 	N :: 116.28(3.52)



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

	PRTL>>	Y 0.76   C 0.2   G 0.02   

	C Shift Assignments>> 	C :: 171.649	 	CA :: 55.201	 	CB :: 42.279	 	CD1 :: 132.687	 	CD2 :: 132.687	 	CE1 :: 117.378	
			 	CE2 :: 117.378	
	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 :: 8.467	 	HA :: 5.828	 	HB2 :: 2.786	 	HB3 :: 2.397	 	HD1 :: 6.392	 	HD2 :: 6.392	
			 	HE1 :: 6.264	 	HE2 :: 6.264	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 118.156	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.Y32	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.42   C 0.35   G 0.21   

	C Shift Assignments>> 	C :: 175.419	 	CA :: 56.044	 	CB :: 43.153	 	CD1 :: 134.366	 	CD2 :: 134.366	 	CE1 :: 118.225	
			 	CE2 :: 118.225	
	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 :: 9.504	 	HA :: 4.591	 	HB2 :: 3.370	 	HB3 :: 2.847	 	HD1 :: 7.219	 	HD2 :: 7.219	
			 	HE1 :: 6.742	 	HE2 :: 6.742	
	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 :: 119.131	
	Ave N Shift Values>> 	N :: 120.52(4.2)



1.K33	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.48   K 0.42   R 0.08   

	HN Overlap>>	 1.N26 1.N26

	C Shift Assignments>> 	C :: 175.933	 	CA :: 60.295	 	CB :: 33.219	 	CG :: 25.528	 	CD :: 29.343	 	CE :: 41.910	
	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 :: 9.826	 	HA :: 4.093	 	HB2 :: 1.863	 	HB3 :: 1.863	 	HG2 :: 1.489	 	HG3 :: 1.390	
			 	HD2 :: 1.716	 	HD3 :: 1.658	 	HE2 :: 2.955	 	HE3 :: 2.955	
	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 :: 122.957	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.S34	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 173.332	 	CA :: 56.921	 	CB :: 65.097	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 7.271	 	HA :: 4.544	 	HB2 :: 3.897	 	HB3 :: 3.897	
	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 :: 105.261	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.E35	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.31   E 0.23   K 0.19   Q 0.18   I 0.05   R 0.01   

	C Shift Assignments>> 	C :: 176.262	 	CA :: 58.240	 	CB :: 28.699	 	CG :: 35.077	
	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 :: 8.734	 	HA :: 3.969	
	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 :: 122.468	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.D36	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.31   L 0.17   N 0.15   F 0.12   Y 0.1   C 0.07   K 0.04   

	C Shift Assignments>> 	C :: 176.698	 	CA :: 54.632	 	CB :: 40.474	
	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 :: 7.765	 	HA :: 4.339	 	HB2 :: 2.585	 	HB3 :: 2.493	
	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 :: 114.817	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.E37	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.47   C 0.45   I 0.03   K 0.02   Q 0.01   

	C Shift Assignments>> 	C :: 176.842	 	CA :: 56.176	 	CB :: 30.528	 	CG :: 37.015	
	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 :: 7.339	 	HA :: 4.477	 	HB2 :: 2.456	 	HB3 :: 1.897	 	HG2 :: 2.205	 	HG3 :: 2.205	
	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 :: 118.844	
	Ave N Shift Values>> 	N :: 120.67(3.48)



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

	PRTL>>	T 0.95   C 0.04   

	C Shift Assignments>> 	C :: 176.362	 	CA :: 63.753	 	CB :: 68.947	 	CG2 :: 20.977	
	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 :: 7.471	 	HA :: 4.491	 	HB :: 3.896	 	HG21 :: 0.634	 	HG22 :: 0.634	 	HG23 :: 0.634	
	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 :: 111.326	
	Ave N Shift Values>> 	N :: 115.42(4.75)



1.E39	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	E 0.37   C 0.34   K 0.1   I 0.08   Q 0.07   

	C Shift Assignments>> 	C :: 176.939	 	CA :: 58.220	 	CB :: 29.465	 	CG :: 36.040	
	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 :: 8.311	 	HA :: 4.050	 	HB2 :: 1.726	 	HB3 :: 1.726	 	HG2 :: 1.948	 	HG3 :: 1.844	
	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 :: 120.911	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Y40	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.64   C 0.35   

	C Shift Assignments>> 	C :: 176.371	 	CA :: 57.571	 	CB :: 38.958	 	CD1 :: 133.214	 	CD2 :: 133.214	 	CE1 :: 118.687	
			 	CE2 :: 118.687	
	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 :: 7.787	 	HA :: 4.759	 	HB2 :: 3.260	 	HB3 :: 2.946	 	HD1 :: 7.085	 	HD2 :: 7.085	
			 	HE1 :: 6.806	 	HE2 :: 6.806	
	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 :: 116.433	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	G 0.83   L 0.09   C 0.02   R 0.01   

	C Shift Assignments>> 	C :: 173.898	 	CA :: 45.288	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 7.915	 	HA2 :: 4.201	 	HA3 :: 4.201	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 108.096	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.C42	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.19   I 0.18   R 0.17   W 0.1   Q 0.08   L 0.06   E 0.06   K 0.06   H 0.06   

	HN Overlap>>	 1.C4 1.C4

	C Shift Assignments>> 	C :: 175.021	 	CA :: 59.082	 	CB :: 27.405	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.499	 	HA :: 3.755	 	HB2 :: 2.817	 	HB3 :: 2.582	
	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 :: 119.968	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.R43	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	R 0.53   C 0.34   K 0.07   G 0.03   L 0.01   

	C Shift Assignments>> 	C :: 175.713	 	CA :: 55.339	 	CB :: 30.182	 	CG :: 27.000	 	CD :: 42.935	
	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 :: 8.271	 	HA :: 4.121	 	HB2 :: 1.487	 	HG2 :: 1.590	 	HG3 :: 1.529	 	HD2 :: 3.128	
			 	HD3 :: 2.982	
	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 :: 124.228	
	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.G44	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 :: 171.301	 	CA :: 45.630	
	Ave C Shift Values>> 	C :: 173.87(1.88) 	CA :: 45.35(1.34)

	H Shift Assignments>> 	H :: 6.884	 	HA2 :: 3.954	 	HA3 :: 4.105	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)

	N Shift Assignments>> 	N :: 106.589	
	Ave N Shift Values>> 	N :: 109.67(3.87)



1.S45	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.95   T 0.04   

	C Shift Assignments>> 	C :: 173.056	 	CA :: 57.897	 	CB :: 65.951	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.520	 	HA :: 4.776	 	HB2 :: 3.722	 	HB3 :: 4.090	
	Ave H Shift Values>> 	H :: 8.28(0.59) 	HA :: 4.48(0.4) 	HB2 :: 3.88(0.25) 	HB3 :: 3.85(0.27) 	HG :: 5.36(1.03)

	N Shift Assignments>> 	N :: 115.168	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.I46	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   I 0.46   

	C Shift Assignments>> 	C :: 173.763	 	CA :: 59.660	 	CB :: 41.802	 	CG1 :: 25.768	 	CG2 :: 18.401	 	CD1 :: 12.903	
	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 :: 8.902	 	HA :: 4.415	 	HB :: 1.110	 	HG12 :: 0.936	 	HG13 :: 0.089	 	HG21 :: 0.126	
			 	HG22 :: 0.126	 	HG23 :: 0.126	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.381	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.C47	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.17   R 0.16   I 0.13   W 0.11   Q 0.1   K 0.08   E 0.07   H 0.07   L 0.06   

	C Shift Assignments>> 	C :: 176.230	 	CA :: 58.669	 	CB :: 27.673	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 8.422	 	HA :: 4.487	 	HB2 :: 3.030	 	HB3 :: 2.741	
	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 :: 124.366	
	Ave N Shift Values>> 	N :: 120.17(4.64)



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

	PRTL>>	L 0.56   C 0.36   A 0.05   G 0.01   

	C Shift Assignments>> 	C :: 177.787	 	CA :: 55.612	 	CB :: 42.141	 	CG :: 26.926	 	CD1 :: 22.502	 	CD2 :: 22.502	
	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 :: 8.324	 	HA :: 4.102	 	HB2 :: 1.617	 	HB3 :: 1.392	
	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 :: 125.342	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.S49	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.99   

	C Shift Assignments>> 	C :: 175.316	 	CA :: 62.231	 	CB :: 63.244	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.077	 	HA :: 4.288	 	HB2 :: 3.949	 	HB3 :: 3.879	
	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 :: 116.687	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.K50	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.47   C 0.29   R 0.22   

	C Shift Assignments>> 	C :: 176.036	 	CA :: 54.703	 	CB :: 31.587	 	CG :: 24.776	 	CD :: 28.748	 	CE :: 42.195	
	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 :: 8.804	 	HA :: 4.463	 	HB2 :: 2.069	 	HB3 :: 1.661	 	HG2 :: 1.377	 	HG3 :: 1.296	
			 	HD2 :: 1.680	 	HD3 :: 1.612	 	HE2 :: 2.957	 	HE3 :: 2.957	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 118.100	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.A51	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.93   C 0.03   L 0.02   

	C Shift Assignments>> 	C :: 176.870	 	CA :: 52.134	 	CB :: 20.241	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.289	 	HA :: 4.563	 	HB1 :: 1.122	 	HB2 :: 1.122	 	HB3 :: 1.122	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 122.400	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.V52	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.64   C 0.35   

	C Shift Assignments>> 	C :: 175.428	 	CA :: 61.938	 	CB :: 34.063	 	CG1 :: 21.060	 	CG2 :: 21.060	
	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 :: 8.771	 	HA :: 4.226	 	HB :: 1.964	 	HG11 :: 0.931	 	HG12 :: 0.931	 	HG13 :: 0.931	
			 	HG21 :: 0.848	 	HG22 :: 0.848	 	HG23 :: 0.848	
	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 :: 122.000	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.I53	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.57   I 0.42   

	C Shift Assignments>> 	C :: 175.829	 	CA :: 60.537	 	CB :: 38.738	 	CG1 :: 29.485	 	CG2 :: 19.302	 	CD1 :: 15.245	
	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 :: 9.140	 	HA :: 4.949	 	HB :: 1.960	 	HG12 :: 1.505	 	HG13 :: 1.128	 	HG21 :: 0.894	
			 	HG22 :: 0.894	 	HG23 :: 0.894	 	HD11 :: 0.884	 	HD12 :: 0.884	 	HD13 :: 0.884	
	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 :: 130.218	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.T54	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.74   C 0.24   

	C Shift Assignments>> 	CA :: 58.916	 	CB :: 70.705	 	CG2 :: 21.599	
	Ave C Shift Values>> 	C :: 174.54(1.76) 	CA :: 62.22(2.59) 	CB :: 69.73(1.63) 	CG2 :: 21.55(1.11)

	H Shift Assignments>> 	H :: 9.392	 	HA :: 4.928	 	HB :: 4.000	 	HG21 :: 1.129	 	HG22 :: 1.129	 	HG23 :: 1.129	
	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 :: 124.020	
	Ave N Shift Values>> 	N :: 115.42(4.75)



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

	PRTL>>	P 0.29   V 0.29   C 0.2   W 0.07   I 0.05   R 0.02   E 0.01   H 0.01   K 0.01   

	C Shift Assignments>> 	C :: 174.814	 	CA :: 62.358	 	CB :: 31.103	
	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)



1.H56	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.25   V 0.13   W 0.13   K 0.12   R 0.11   E 0.08   H 0.08   Q 0.03   P 0.01   

	C Shift Assignments>> 	C :: 176.471	 	CA :: 59.465	 	CB :: 31.898	
	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 :: 8.112	 	HA :: 4.191	 	HB2 :: 3.693	 	HB3 :: 2.758	 	HD2 :: 7.772	
	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 :: 127.166	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



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

	PRTL>>	L 0.19   F 0.18   D 0.18   K 0.15   Y 0.14   C 0.07   N 0.03   I 0.01   R 0.01   

	C Shift Assignments>> 	C :: 175.867	 	CA :: 56.392	 	CB :: 41.059	
	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 :: 8.232	 	HA :: 4.230	 	HB2 :: 2.151	 	HB3 :: 2.048	
	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 :: 123.024	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.F58	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	F 0.23   K 0.21   Y 0.18   C 0.1   L 0.1   I 0.06   R 0.04   D 0.03   

	HN Overlap>>	 1.D87 1.D87

	C Shift Assignments>> 	C :: 175.269	 	CA :: 58.800	 	CB :: 41.595	
	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 :: 8.744	 	HA :: 4.785	 	HB2 :: 3.238	 	HB3 :: 3.023	 	HD1 :: 7.230	 	HD2 :: 7.241	
			 	HE1 :: 7.179	 	HE2 :: 7.179	
	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 :: 118.599	
	Ave N Shift Values>> 	N :: 120.45(4.18)



1.D59	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.39   D 0.3   L 0.1   F 0.06   C 0.06   Y 0.05   

	C Shift Assignments>> 	C :: 176.739	 	CA :: 52.866	 	CB :: 39.892	
	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 :: 9.782	 	HA :: 4.572	 	HB2 :: 2.456	 	HB3 :: 2.274	
	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 :: 124.081	
	Ave N Shift Values>> 	N :: 120.65(3.86)



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

	PRTL>>	C 0.39   E 0.37   I 0.16   K 0.05   Q 0.01   

	HN Overlap>>	 1.V71 1.V71

	C Shift Assignments>> 	C :: 174.570	 	CA :: 58.289	 	CB :: 29.343	 	CG :: 36.951	
	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 :: 8.394	 	HA :: 4.162	 	HB2 :: 2.193	 	HB3 :: 1.987	 	HG2 :: 2.312	 	HG3 :: 2.312	
	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 :: 123.116	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.C61	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.2   I 0.19   W 0.15   K 0.1   E 0.09   Q 0.08   H 0.07   R 0.05   V 0.01   

	C Shift Assignments>> 	C :: 175.670	 	CA :: 59.891	 	CB :: 28.608	
	Ave C Shift Values>> 	C :: 174.95(2.07) 	CA :: 58.3(3.33) 	CB :: 32.49(6.01)

	H Shift Assignments>> 	H :: 7.508	 	HA :: 4.201	 	HB2 :: 3.239	 	HB3 :: 2.550	
	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 :: 110.802	
	Ave N Shift Values>> 	N :: 120.17(4.64)



1.R62	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	G 0.42   C 0.37   R 0.19   

	C Shift Assignments>> 	C :: 176.161	 	CA :: 54.881	 	CB :: 32.228	 	CG :: 27.174	 	CD :: 44.779	
	Ave C Shift Values>> 	C :: 176.41(2.03) 	CA :: 56.77(2.31) 	CB :: 30.7(1.83) 	CG :: 27.21(1.2) 	CD :: 43.16(0.88) 	CZ :: 159.97(2.95)

	H Shift Assignments>> 	H :: 7.787	 	HA :: 5.434	 	HB2 :: 1.821	 	HB3 :: 1.486	 	HG2 :: 1.961	 	HG3 :: 1.243	
			 	HD2 :: 3.032	
	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 :: 122.806	
	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.F63	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	L 0.22   K 0.22   D 0.17   F 0.13   Y 0.09   C 0.06   R 0.05   N 0.02   

	C Shift Assignments>> 	C :: 169.475	 	CA :: 56.088	 	CB :: 41.681	
	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 :: 9.705	 	HA :: 5.082	 	HB2 :: 2.930	 	HB3 :: 2.496	 	HD1 :: 6.926	 	HD2 :: 6.926	
			 	HE1 :: 6.709	 	HE2 :: 6.709	 	HZ :: 6.722	
	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 :: 126.793	
	Ave N Shift Values>> 	N :: 120.45(4.18)



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

	PRTL>>	D 0.28   L 0.28   R 0.12   G 0.09   N 0.06   C 0.05   K 0.05   F 0.02   Y 0.01   

	C Shift Assignments>> 	C :: 176.044	 	CA :: 51.465	 	CB :: 42.735	
	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 :: 8.097	 	HB2 :: 2.518	 	HB3 :: 2.489	
	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 :: 120.916	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.I65	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.52   C 0.47   

	HN Overlap>>	 1.H81 1.H81

	C Shift Assignments>> 	C :: 173.799	 	CA :: 59.558	 	CB :: 40.859	 	CG1 :: 27.260	 	CG2 :: 17.270	 	CD1 :: 15.180	
	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 :: 9.023	 	HA :: 5.072	 	HB :: 1.477	 	HG12 :: 1.483	 	HG13 :: 0.958	 	HG21 :: 0.550	
			 	HG22 :: 0.550	 	HG23 :: 0.550	 	HD11 :: 0.719	 	HD12 :: 0.719	 	HD13 :: 0.719	
	Ave H Shift Values>> 	H :: 8.28(0.68) 	HA :: 4.18(0.56) 	HB :: 1.78(0.29) 	HG2 :: 0.77(0.27) 	HG12 :: 1.28(0.4) 	HG13 :: 1.19(0.41)
			 	HD1 :: 0.68(0.29)

	N Shift Assignments>> 	N :: 121.061	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	S 0.97   T 0.02   

	C Shift Assignments>> 	C :: 173.779	 	CA :: 56.227	 	CB :: 65.836	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.992	 	HA :: 5.340	 	HB2 :: 3.741	 	HB3 :: 3.709	
	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 :: 120.946	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.V67	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	V 0.58   C 0.41   

	C Shift Assignments>> 	C :: 174.933	 	CA :: 61.237	 	CB :: 34.008	 	CG1 :: 21.004	 	CG2 :: 21.004	
	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 :: 8.431	 	HA :: 4.259	 	HB :: 1.977	 	HG11 :: 0.811	 	HG12 :: 0.811	 	HG13 :: 0.811	
			 	HG21 :: 0.811	 	HG22 :: 0.811	 	HG23 :: 0.811	
	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 :: 121.954	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.N68	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.23   E 0.18   Y 0.18   N 0.15   F 0.13   D 0.03   I 0.03   L 0.01   K 0.01   

	HN Overlap>>	 1.V23 1.V23

	C Shift Assignments>> 	C :: 174.763	 	CA :: 55.785	 	CB :: 37.378	
	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 :: 9.010	 	HA :: 4.228	 	HB2 :: 2.964	 	HB3 :: 2.946	 	HD21 :: 6.927	 	HD22 :: 7.694	
	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 :: 123.810	 	ND2 :: 113.736	
	Ave N Shift Values>> 	N :: 118.93(4.03) 	ND2 :: 112.75(2.23)



1.D69	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	D 0.32   L 0.18   N 0.16   F 0.11   Y 0.09   C 0.06   K 0.04   

	C Shift Assignments>> 	C :: 175.678	 	CA :: 54.451	 	CB :: 40.537	
	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 :: 8.485	 	HA :: 4.601	 	HB2 :: 2.823	 	HB3 :: 2.758	
	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 :: 118.496	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.S70	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	S 0.98   T 0.01   

	C Shift Assignments>> 	C :: 172.525	 	CA :: 58.385	 	CB :: 65.162	
	Ave C Shift Values>> 	C :: 174.62(1.72) 	CA :: 58.72(2.07) 	CB :: 63.8(1.48)

	H Shift Assignments>> 	H :: 8.146	 	HA :: 4.725	 	HB2 :: 3.812	 	HB3 :: 3.711	
	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 :: 116.340	
	Ave N Shift Values>> 	N :: 116.28(3.52)



1.V71	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.52   V 0.47   

	HN Overlap>>	 1.E60 1.E60

	C Shift Assignments>> 	C :: 174.503	 	CA :: 60.579	 	CB :: 35.033	 	CG1 :: 20.981	 	CG2 :: 20.476	
	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 :: 8.294	 	HA :: 4.947	 	HB :: 1.772	 	HG11 :: 0.745	 	HG12 :: 0.745	 	HG13 :: 0.745	
			 	HG21 :: 0.506	 	HG22 :: 0.506	 	HG23 :: 0.506	
	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 :: 123.147	
	Ave N Shift Values>> 	N :: 121.14(4.54)



1.W72	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.5   C 0.49   

	C Shift Assignments>> 	C :: 173.925	 	CA :: 53.702	 	CB :: 31.813	 	CE3 :: 119.240	 	CZ2 :: 114.421	 	CZ3 :: 120.310	
			 	CH2 :: 125.653	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 9.184	 	HA :: 4.851	 	HB2 :: 3.002	 	HB3 :: 2.570	 	HD1 :: 6.972	 	HE1 :: 10.198	
			 	HE3 :: 7.014	 	HZ2 :: 7.248	 	HZ3 :: 6.580	 	HH2 :: 7.101	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 126.485	 	NE1 :: 128.812	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



1.Y73	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	Y 0.7   C 0.29   

	C Shift Assignments>> 	C :: 174.952	 	CA :: 55.393	 	CB :: 38.867	 	CD1 :: 133.135	 	CD2 :: 133.135	 	CE1 :: 117.914	
			 	CE2 :: 117.914	
	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 :: 8.342	 	HA :: 5.290	 	HB2 :: 2.856	 	HB3 :: 2.856	 	HD1 :: 6.931	 	HD2 :: 6.931	
			 	HE1 :: 6.498	 	HE2 :: 6.498	
	Ave H Shift Values>> 	H :: 8.32(0.73) 	HA :: 4.63(0.56) 	HB2 :: 2.91(0.37) 	HB3 :: 2.84(0.39) 	HD1 :: 6.93(0.3) 	HD2 :: 6.93(0.3)
			 	HE1 :: 6.7(0.23) 	HE2 :: 6.71(0.23) 	HH :: 9.3(1.36)

	N Shift Assignments>> 	N :: 122.918	
	Ave N Shift Values>> 	N :: 120.52(4.2)



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

	PRTL>>	G 0.83   L 0.1   C 0.02   D 0.01   

	C Shift Assignments>> 	C :: 176.172	 	CA :: 53.085	 	CB :: 45.401	
	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 :: 8.382	 	HA :: 4.572	 	HB2 :: 1.266	 	HB3 :: 1.266	 	HG :: 1.876	
	Ave H Shift Values>> 	H :: 8.23(0.65) 	HA :: 4.32(0.47) 	HB2 :: 1.61(0.34) 	HB3 :: 1.52(0.36) 	HG :: 1.51(0.33) 	HD1 :: 0.75(0.28)
			 	HD2 :: 0.73(0.29)

	N Shift Assignments>> 	N :: 123.487	
	Ave N Shift Values>> 	N :: 121.86(3.9)



1.R75	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	K 0.47   C 0.44   R 0.05   G 0.01   

	C Shift Assignments>> 	C :: 175.958	 	CA :: 55.343	 	CB :: 35.014	 	CG :: 28.642	 	CD :: 42.307	
	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 :: 9.332	 	HA :: 4.858	 	HB2 :: 1.382	 	HB3 :: 1.025	 	HG2 :: 0.855	 	HG3 :: 0.765	
	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 :: 117.847	
	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.A76	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.94   C 0.03   L 0.02   

	HN Overlap>>	 1.E2 1.E2

	C Shift Assignments>> 	CA :: 49.979	 	CB :: 20.711	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.594	 	HA :: 4.687	 	HB1 :: 1.607	 	HB2 :: 1.607	 	HB3 :: 1.607	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 126.122	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.Q77	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	W 0.16   C 0.16   E 0.14   H 0.11   R 0.11   Q 0.1   K 0.1   I 0.05   V 0.01   

	C Shift Assignments>> 	C :: 175.435	 	CA :: 58.719	 	CB :: 29.677	
	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>> 	HE21 :: 6.507	 	HE22 :: 7.258	
	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>> 	NE2 :: 111.697	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.D78	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	N 0.38   D 0.24   F 0.09   Y 0.08   L 0.08   C 0.08   

	C Shift Assignments>> 	CA :: 53.691	 	CB :: 39.391	
	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 :: 7.822	 	HA :: 4.813	 	HB2 :: 3.085	 	HB3 :: 3.047	
	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 :: 112.619	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.P79	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.D80	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Indeterminable 	N Shifts: Indeterminable




1.H81	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Consistent


	HN Overlap>>	 1.I65 1.I65

	H Shift Assignments>> 	H :: 9.087	 	HD2 :: 7.664	
	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 :: 121.133	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



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

	PRTL>>	C 0.25   W 0.16   V 0.12   I 0.11   E 0.08   R 0.07   H 0.06   P 0.04   Q 0.03   K 0.03   

	C Shift Assignments>> 	C :: 176.657	 	CA :: 60.943	 	CB :: 30.227	
	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)



1.Q83	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.33   Q 0.25   K 0.24   R 0.12   E 0.02   I 0.01   

	C Shift Assignments>> 	C :: 177.312	 	CA :: 58.296	 	CB :: 27.996	 	CG :: 33.453	
	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 :: 7.853	 	HA :: 3.642	 	HB2 :: 2.261	 	HB3 :: 2.261	 	HG2 :: 2.393	 	HG3 :: 2.393	
			 	HE21 :: 6.774	 	HE22 :: 7.440	
	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 :: 119.368	 	NE2 :: 112.129	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.Q84	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.34   Q 0.24   K 0.24   E 0.06   R 0.06   I 0.03   

	C Shift Assignments>> 	C :: 180.241	 	CA :: 59.037	 	CB :: 28.415	 	CG :: 33.903	
	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 :: 8.022	 	HA :: 3.984	 	HB2 :: 2.089	 	HB3 :: 1.869	 	HG2 :: 2.556	 	HG3 :: 2.285	
			 	HE21 :: 6.719	 	HE22 :: 7.427	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 116.551	 	NE2 :: 112.191	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.W85	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.5   W 0.49   

	C Shift Assignments>> 	C :: 177.759	 	CA :: 62.404	 	CB :: 29.582	 	CE3 :: 118.976	 	CZ2 :: 115.038	 	CZ3 :: 121.626	
			 	CH2 :: 125.407	
	Ave C Shift Values>> 	C :: 176.12(2.01) 	CA :: 57.66(2.58) 	CB :: 30.01(2.01) 	CG :: 110.59(1.88) 	CD1 :: 126.51(1.83) 	CD2 :: 127.57(1.55)
			 	CE2 :: 138.31(6.98) 	CE3 :: 120.43(1.79) 	CZ2 :: 114.26(1.12) 	CZ3 :: 121.35(1.53) 	CH2 :: 123.86(1.42)

	H Shift Assignments>> 	H :: 7.770	 	HA :: 3.839	 	HB2 :: 2.987	 	HB3 :: 2.851	 	HD1 :: 6.899	 	HE1 :: 10.604	
			 	HE3 :: 7.434	 	HZ3 :: 6.772	 	HH2 :: 6.787	
	Ave H Shift Values>> 	H :: 8.29(0.79) 	HA :: 4.68(0.53) 	HB2 :: 3.19(0.35) 	HB3 :: 3.12(0.36) 	HD1 :: 7.14(0.36) 	HE1 :: 10.08(0.66)
			 	HE3 :: 7.31(0.41) 	HZ2 :: 7.28(0.33) 	HZ3 :: 6.86(0.4) 	HH2 :: 6.98(0.39)

	N Shift Assignments>> 	N :: 119.548	 	NE1 :: 129.731	
	Ave N Shift Values>> 	N :: 121.68(4.18) 	NE1 :: 129.32(2.11)



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

	PRTL>>	I 0.93   C 0.06   

	C Shift Assignments>> 	C :: 177.465	 	CA :: 66.911	 	CB :: 37.819	 	CG1 :: 28.656	 	CG2 :: 16.616	 	CD1 :: 14.147	
	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 :: 8.221	 	HA :: 3.220	 	HB :: 1.610	 	HG12 :: 1.158	 	HG13 :: 0.332	 	HG21 :: 0.773	
			 	HG22 :: 0.773	 	HG23 :: 0.773	 	HD11 :: 0.530	 	HD12 :: 0.530	 	HD13 :: 0.530	
	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 :: 119.385	
	Ave N Shift Values>> 	N :: 121.46(4.28)



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

	PRTL>>	F 0.27   Y 0.25   D 0.12   C 0.12   L 0.11   I 0.05   N 0.03   K 0.02   

	HN Overlap>>	 1.F58 1.F58

	C Shift Assignments>> 	C :: 178.711	 	CA :: 57.152	 	CB :: 40.103	
	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 :: 8.726	 	HA :: 4.267	 	HB2 :: 2.636	 	HB3 :: 2.513	
	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 :: 118.621	
	Ave N Shift Values>> 	N :: 120.65(3.86)



1.A88	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	A 0.85   I 0.06   C 0.06   V 0.01   

	C Shift Assignments>> 	C :: 179.864	 	CA :: 55.156	 	CB :: 18.460	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.531	 	HA :: 4.026	 	HB1 :: 1.197	 	HB2 :: 1.197	 	HB3 :: 1.197	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)

	N Shift Assignments>> 	N :: 120.921	
	Ave N Shift Values>> 	N :: 123.23(3.54)



1.I89	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	I 0.74   C 0.25   

	C Shift Assignments>> 	C :: 177.990	 	CA :: 66.225	 	CB :: 38.297	 	CG1 :: 30.758	 	CG2 :: 18.592	 	CD1 :: 15.013	
	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 :: 8.360	 	HA :: 3.522	 	HB :: 1.953	 	HG12 :: 2.265	 	HG13 :: 1.002	 	HG21 :: 0.904	
			 	HG22 :: 0.904	 	HG23 :: 0.904	 	HD11 :: 1.016	 	HD12 :: 1.016	 	HD13 :: 1.016	
	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 :: 118.786	
	Ave N Shift Values>> 	N :: 121.46(4.28)



1.E90	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.38   E 0.33   I 0.21   K 0.05   Q 0.01   

	C Shift Assignments>> 	C :: 179.201	 	CA :: 59.505	 	CB :: 29.418	 	CG :: 36.601	
	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 :: 8.611	 	HA :: 4.020	 	HB2 :: 2.130	 	HB3 :: 2.030	 	HG2 :: 2.423	 	HG3 :: 2.245	
	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 :: 118.150	
	Ave N Shift Values>> 	N :: 120.67(3.48)



1.Q91	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.28   Q 0.28   K 0.26   E 0.09   R 0.05   I 0.01   

	C Shift Assignments>> 	C :: 177.187	 	CA :: 57.646	 	CB :: 28.593	 	CG :: 34.102	
	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 :: 7.888	 	HA :: 4.099	 	HB2 :: 2.106	 	HB3 :: 2.106	 	HG2 :: 2.527	 	HG3 :: 2.394	
			 	HE21 :: 6.856	 	HE22 :: 7.986	
	Ave H Shift Values>> 	H :: 8.22(0.59) 	HA :: 4.27(0.44) 	HB2 :: 2.05(0.25) 	HB3 :: 2.02(0.28) 	HG2 :: 2.32(0.27) 	HG3 :: 2.29(0.29)
			 	HE21 :: 7.24(0.45) 	HE22 :: 7.02(0.44)

	N Shift Assignments>> 	N :: 116.497	 	NE2 :: 116.588	
	Ave N Shift Values>> 	N :: 119.89(3.6) 	NE2 :: 111.87(1.72)



1.H92	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	C 0.17   W 0.15   R 0.15   E 0.14   H 0.14   K 0.09   Q 0.09   V 0.02   I 0.01   

	C Shift Assignments>> 	C :: 175.026	 	CA :: 57.908	 	CB :: 30.939	
	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 :: 7.975	 	HA :: 4.317	 	HB2 :: 3.300	 	HB3 :: 3.121	 	HD2 :: 7.767	
	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 :: 118.144	
	Ave N Shift Values>> 	N :: 119.69(4) 	ND1 :: 195.02(18.51) 	NE2 :: 182.41(14.4)



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

	PRTL>>	K 0.48   C 0.46   R 0.03   

	C Shift Assignments>> 	C :: 175.933	 	CA :: 57.106	 	CB :: 33.568	 	CG :: 24.191	 	CD :: 29.677	 	CE :: 41.890	
	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 :: 7.514	 	HA :: 4.361	 	HB2 :: 1.871	 	HB3 :: 1.871	 	HG2 :: 1.543	 	HG3 :: 1.543	
			 	HD2 :: 1.695	 	HD3 :: 1.695	 	HE2 :: 3.091	 	HE3 :: 3.003	
	Ave H Shift Values>> 	H :: 8.19(0.6) 	HA :: 4.27(0.44) 	HB2 :: 1.78(0.25) 	HB3 :: 1.74(0.27) 	HG2 :: 1.37(0.26) 	HG3 :: 1.35(0.28)
			 	HD2 :: 1.61(0.22) 	HD3 :: 1.6(0.22) 	HE2 :: 2.92(0.19) 	HE3 :: 2.91(0.2) 	HZ :: 7.42(0.67)

	N Shift Assignments>> 	N :: 118.547	
	Ave N Shift Values>> 	N :: 121.05(3.77) 	NZ :: 33.81(2.81)



1.T94	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Consistent

	PRTL>>	T 0.93   C 0.06   

	C Shift Assignments>> 	CA :: 63.470	 	CB :: 70.883	 	CG2 :: 21.895	
	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 :: 7.902	 	HA :: 4.136	 	HB :: 4.158	 	HG21 :: 1.147	 	HG22 :: 1.147	 	HG23 :: 1.147	
	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 :: 120.685	
	Ave N Shift Values>> 	N :: 115.42(4.75)





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

Overall Results:

	      #Consistent:  93      #Clerical:   0      #Suspicious:   1      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  87      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   7


Shift Relative Order (SRO) Results:

	      #Consistent:  94      #Suspicious:   0


C Shift Results:

	      #Consistent: 363      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 559      #Duplicate:   0      #Unknown:   0      #Suspicious:   1      #Anomalous:   0


N Shift Results:

	      #Consistent:  98      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0



Error Summary:

1.S30	HA = 5.828(S),	 Expected =  4.48, Std = 0.4000, ChiSquare = 7.5168e-04